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Sample records for non-polar organic compounds

  1. Non-polar organic compounds in marine aerosols over the northern South China Sea: Influence of continental outflow.

    Science.gov (United States)

    Zhao, Yan; Zhang, Yingyi; Fu, Pingqing; Ho, Steven Sai Hang; Ho, Kin Fai; Liu, Fobang; Zou, Shichun; Wang, Shan; Lai, Senchao

    2016-06-01

    Filter samples of total suspended particle (TSP) collected during a cruise campaign over the northern South China Sea (SCS) from September to October 2013 were analyzed for non-polar organic compounds (NPOCs) as well as organic carbon (OC), elemental carbon (EC) and water-soluble ions. A total of 115 NPOCs species in groups of n-alkanes, polycyclic aromatic hydrocarbons (PAHs), iso-/antiso-alkanes, hopanes, steranes, methylalkanes, branched alkanes, cycloalkanes, alkenes and phthalates were detected. The characteristics of NPOCs in marine TSP samples were investigated to understand the sources from the Asian continent and other regions. The concentrations of total NPOCs ranged from 19.8 to 288.2 ng/m(3) with an average of 87.9 ng/m(3), which accounted for 0.8-1.7% (average 1.0%) of organic matter (OM). n-Alkanes was the predominant group, accounting for 43.1-79.5%, followed by PAHs (5.5-44.4%) and hopanes (1.6-11.4%). We found that primary combustion (biomass burning/fossil fuel combustion) was the dominant source for the majority of NPOCs (89.1%). Biomass burning in southern/southeastern China via long-range transport was proposed to be a major contributor of NPOCs in marine aerosols over the northern SCS, suggested by the significant correlations between nss-K(+) and NPOCs groups as well as the analysis of air mass back-trajectory and fire spots. For the samples with strong continental influence, the strong enhancement in concentrations of n-alkanes, PAHs, hopanes and steranes were attributed to fossil fuel (coal/petroleum) combustion. In addition, terrestrial plants waxes were another contributor to NPOCs.

  2. A system for the determination of trace-level polar and non-polar toxic organic compounds in ambient air

    Energy Technology Data Exchange (ETDEWEB)

    Tipler, A.; Dang, R.; Hoberecht, H. [Perkin Elmer Corp., Norwalk, CT (United States). Fresh Aire Lab.

    1994-12-31

    A gas chromatographic system is described for the determination of toxic organic compounds in ambient air. These compounds include all those specified within the US EPA Compendium Method TO14 and some polar additional analytes under consideration for the proposed TO15 Method. The system supports both on-line and off-line (passivated canisters and adsorption tubes) methods for sampling air--providing a fully automated analysis. A key feature of the system is that liquid cryogen is not required for either the analyte preconcentration or the subsequent chromatographic separation. Water management is achieved by dry-purging an adsorbent trap upon which the sample analytes have been retained. The performance of the system is demonstrated with conventional detection systems (electron capture and flame ionization) and with a mass spectrometer.

  3. Modeling diffusion coefficients in binary mixtures of polar and non-polar compounds

    DEFF Research Database (Denmark)

    Medvedev, Oleg; Shapiro, Alexander

    2005-01-01

    The theory of transport coefficients in liquids, developed previously, is tested on a description of the diffusion coefficients in binary polar/non-polar mixtures, by applying advanced thermodynamic models. Comparison to a large set of experimental data shows good performance of the model. Only...... components and to only one parameter for mixtures consisting of non-polar components. A possibility of complete prediction of the parameters is discussed....

  4. [Four new compounds from the non-polar extract of the plant Amyris brenesii (Rutaceae) from Costa Rica].

    Science.gov (United States)

    Chavarría, Max; Castro, Victor; Poveda, Luis; Renato, Murillo

    2008-09-01

    Fractionation of a non polar extract of the aerial parts of Amyris brenesii collected in Rio Cuarto, Grecia, Costa Rica has resulted in the isolation of four new compounds, 6-hidroxy-6-O-(3-hidroxymethyl-3-methylalyl)-angelicin 1, 6-(N-acetyl-2-etanamin)-2,2-dimethyl-2H-cromen 2, the lignan 2,5-dehidrohinokinin 3 and N-acetyl-O-(geranyl)-tiramine 4. In addition, we isolated six previously known compounds: the lignans hinokinin 5 and Justicidin E 6, the coumarins scopoletin 7 and marmesin 8, 24-moretenoic acid 9, and the nitrogen compound O-(3,3-dimethylalyl)-halfordinol 10. All the separations were done with chromatographic techniques and the structures were elucidated by using 1D and 2D NMR techniques.

  5. Organic Compounds

    Science.gov (United States)

    Shankland, Kenneth

    For many years, powder X-ray diffraction was used primarily as a fingerprinting method for phase identification in the context of molecular organic materials. In the early 1990s, with only a few notable exceptions, structures of even moderate complexity were not solvable from PXRD data alone. Global optimisation methods and highly-modified direct methods have transformed this situation by specifically exploiting some well-known properties of molecular compounds. This chapter will consider some of these properties.

  6. Uptake calibration of polymer-based passive samplers for monitoring priority and emerging organic non-polar pollutants in WWTP effluents.

    Science.gov (United States)

    Posada-Ureta, Oscar; Olivares, Maitane; Zatón, Leire; Delgado, Alejandra; Prieto, Ailette; Vallejo, Asier; Paschke, Albrecht; Etxebarria, Nestor

    2016-05-01

    The uptake calibration of more than 12 non-polar organic contaminants by 3 polymeric materials is shown: bare polydimetilsiloxane (PDMS, stir-bars), polyethersulfone tubes and membranes (PES) and polyoxymethylene membranes (POM), both in their free form and membrane-enclosed sorptive coating (MESCO). The calibration process was carried out exposing the samplers to a continuous flow of contaminated water at 100 ng mL(-1) for up to 28 days, and, consequently, the sampling rates (Rs, mL day(-1)) of several organic microcontaminants were provided for the first time. In situ Rs values were also determined disposing the samplers in the effluent of a wastewater treatment plant. Finally, these passive samplers were applied to monitor the effluents of two wastewater treatment plants. This application lead to the confirmation of the presence of galaxolide, tonalide and 4-tert-octylphenol at high ng mL(-1) levels, as well as the identification of compounds like some phthalates and alkylphenols at levels below the detection limits for active sampling methods.

  7. Volatile Organic Compounds (VOCs)

    Science.gov (United States)

    ... Contact Us Share Volatile Organic Compounds' Impact on Indoor Air Quality On this page: Introduction Sources Health Effects Levels in Homes Steps to Reduce Exposure Standards or Guidelines Additional Resources Introduction Volatile organic compounds ( ...

  8. Growth of non-polar (11-20 InGaN quantum dots by metal organic vapour phase epitaxy using a two temperature method

    Directory of Open Access Journals (Sweden)

    J. T. Griffiths

    2014-12-01

    Full Text Available Non-polar (11-20 InGaN quantum dots (QDs were grown by metal organic vapour phase epitaxy. An InGaN epilayer was grown and subjected to a temperature ramp in a nitrogen and ammonia environment before the growth of the GaN capping layer. Uncapped structures with and without the temperature ramp were grown for reference and imaged by atomic force microscopy. Micro-photoluminescence studies reveal the presence of resolution limited peaks with a linewidth of less than ∼500 μeV at 4.2 K. This linewidth is significantly narrower than that of non-polar InGaN quantum dots grown by alternate methods and may be indicative of reduced spectral diffusion. Time resolved photoluminescence studies reveal a mono-exponential exciton decay with a lifetime of 533 ps at 2.70 eV. The excitonic lifetime is more than an order of magnitude shorter than that for previously studied polar quantum dots and suggests the suppression of the internal electric field. Cathodoluminescence studies show the spatial distribution of the quantum dots and resolution limited spectral peaks at 18 K.

  9. Conversion of polar and non-polar algae oil lipids to fatty acid methyl esters with solid acid catalysts--A model compound study.

    Science.gov (United States)

    Asikainen, Martta; Munter, Tony; Linnekoski, Juha

    2015-09-01

    Bio-based fuels are becoming more and more important due to the depleting fossil resources. The production of biodiesel from algae oil is challenging compared to terrestrial vegetable oils, as algae oil consists of polar fatty acids, such as phospholipids and glycolipids, as well as non-polar triglycerides and free fatty acids common in vegetable oils. It is shown that a single sulphonated solid acid catalyst can perform the esterification and transesterification reactions of both polar and non-polar lipids. In mild reaction conditions (60-70 °C) Nafion NR50 catalyst produces methyl palmitate (FAME) from the palmitic acid derivatives of di-, and tri-glyceride, free fatty acid, and phospholipid with over 80% yields, with the glycolipid derivative giving nearly 40% yields of FAME. These results demonstrate how the polar and non-polar lipid derivatives of algal oil can be utilised as feedstocks for biodiesel production with a single catalyst in one reaction step.

  10. Thermodynamics of Organic Compounds

    Science.gov (United States)

    1979-01-01

    General Techniques for Combustion of Liquid/Soli. Organic Compounds by Oxygen Bomb Calorimetry by Arthur J. Head, William D. Good, and Ccrnelius...Mosselman, Chap. 8; Combustion of Liquid/Solid Organic Compounds with Non-Metallic Hetero-Atoms by Arthur J. Head and William D. Good, Chap. 9; in...0 Box 95085 Washington, DC 20234 Los Angeles, CA 90045 National Bureau of Standards CINDAS Chemical Thermodynamics Division Purdue University

  11. atmospheric volatile organic compounds

    Directory of Open Access Journals (Sweden)

    A. R. Koss

    2016-07-01

    organic compounds (VOCs that cannot be ionized with H3O+ ions (e.g., in a PTR-MS or H3O+ CIMS instrument. Here we describe the adaptation of a high-resolution time-of-flight H3O+ CIMS instrument to use NO+ primary ion chemistry. We evaluate the NO+ technique with respect to compound specificity, sensitivity, and VOC species measured compared to H3O+. The evaluation is established by a series of experiments including laboratory investigation using a gas-chromatography (GC interface, in situ measurement of urban air using a GC interface, and direct in situ measurement of urban air. The main findings are that (1 NO+ is useful for isomerically resolved measurements of carbonyl species; (2 NO+ can achieve sensitive detection of small (C4–C8 branched alkanes but is not unambiguous for most; and (3 compound-specific measurement of some alkanes, especially isopentane, methylpentane, and high-mass (C12–C15 n-alkanes, is possible with NO+. We also demonstrate fast in situ chemically specific measurements of C12 to C15 alkanes in ambient air.

  12. Xenobiotic organic compounds in wastewater

    DEFF Research Database (Denmark)

    Eriksson, Eva; Baun, Anders; Henze, Mogens

    2002-01-01

    Information regarding the contents of xenobiotic organic compounds (XOCs) in wastewater is limited, but it has been shown that at least 900 different compounds / compound groups could potentially be present in grey wastewater. Analyses of Danish grey wastewater revealed the presence of several...... hundred of XOCs, among them mainly originating from hygiene products: chlorophenols, detergents and phthalates. Several compounds not deriving from hygiene products were also identified e.g. flame-retardants and drugs. A environmental hazard identification showed that a large number of compounds with high...... aquatic toxicity were present and that data for environmental fate could only be retrieved for about half of the compounds....

  13. Organic Compounds in Stardust

    Science.gov (United States)

    McKay, David S.; Clemett. Simon J.; Sandford, Scott A.; Nakamura-Messenger, Keiko; Hoerz, Fredrich

    2011-01-01

    The successful return of the STARDUST spacecraft provides a unique opportunity to investigate the nature and distribution of organic matter in cometary dust particles collected from Comet 81P/Wild-2. Analysis of individual cometary impact tracks in silica aerogel using the technique of two-step laser mass spectrometry (L2MS) demonstrates the presence of complex aromatic organic matter. While concerns remain as to the organic purity of the aerogel collection medium and the thermal effects associated with hypervelocity capture, the majority of the observed organic species appear indigenous to the impacting particles and are hence of cometary origin. While the aromatic fraction of the total organic matter present is believed to be small, it is notable in that it appears to be N-rich. Spectral analysis in combination with instrumental detection sensitivities suggest that N is incorporated predominantly in the form of aromatic nitriles (R-C N). While organic species in the STARDUST samples do share some similarities with those present in the matrices of carbonaceous chondrites, the closest match is found with stratospherically collected interplanetary dust particles. These findings are consistent with the notion that a fraction of interplanetary dust is of cometary origin. The presence of complex organic N-containing species in comets has astrobiological implications since comets are likely to have contributed to the prebiotic chemical inventory of both the Earth and Mars.

  14. Organophosphorus Compounds in Organic Electronics.

    Science.gov (United States)

    Shameem, Muhammad Anwar; Orthaber, Andreas

    2016-07-25

    This Minireview describes recent advances of organophosphorus compounds as opto-electronic materials in the field of organic electronics. The progress of (hetero-) phospholes, unsaturated phosphanes, and trivalent and pentavalent phosphanes since 2010 is covered. The described applications of organophosphorus materials range from single molecule sensors, field effect transistors, organic light emitting diodes, to polymeric materials for organic photovoltaic applications.

  15. Students' Categorizations of Organic Compounds

    Science.gov (United States)

    Domin, Daniel S.; Al-Masum, Mohammad; Mensah, John

    2008-01-01

    Categorization is a fundamental psychological ability necessary for problem solving and many other higher-level cognitive tasks. In organic chemistry, students must establish groupings of different chemical compounds in order not only to solve problems, but also to understand course content. Classic models of categorization emphasize similarity as…

  16. Organic compounds in carbonaceous meteorites.

    Science.gov (United States)

    Sephton, Mark A

    2002-06-01

    The carbonaceous chondrite meteorites are fragments of asteroids that have remained relatively unprocessed since the formation of the solar system 4.6 billion years ago. These carbon-rich objects contain a variety of extraterrestrial organic molecules that constitute a record of chemical evolution prior to the origin of life. Compound classes include aliphatic hydrocarbons, aromatic hydrocarbons, amino acids, carboxylic acids, sulfonic acids, phosphonic acids, alcohols, aldehydes, ketones, sugars, amines, amides, nitrogen heterocycles, sulfur heterocycles and a relatively abundant high molecular weight macromolecular material. Structural and stable isotopic characteristics suggest that a number of environments may have contributed to the organic inventory, including interstellar space, the solar nebula and the asteroidal meteorite parent body. This review covers work published between 1950 and the present day and cites 193 references.

  17. Air-Liquid Partition Coefficient for a Diverse Set of Organic Compounds: Henry’s Law Constant in Water and Hexadecane

    Science.gov (United States)

    The SPARC vapor pressure and activity coefficient models were coupled to estimate Henry’s Law Constant (HLC) in water and in hexadecane for a wide range of non-polar and polar solute organic compounds without modification to/or additional parameterization of the vapor pressure or...

  18. Fabrication of Long-Term Underwater Superoleophobic Al Surfaces and Application on Underwater Lossless Manipulation of Non-Polar Organic Liquids.

    Science.gov (United States)

    Song, Jinlong; Huang, Liu; Lu, Yao; Liu, Xin; Deng, Xu; Yang, Xiaolong; Huang, Shuai; Sun, Jing; Jin, Zhuji; Parkin, Ivan P

    2016-08-23

    Underwater superoleophobic surfaces have different applications in fields from oil/water separation to underwater lossless manipulation. This kind of surfaces can be easily transformed from superhydrophilic surfaces in air, which means the stability of superhydrophilicity in air determines the stability of underwater superoleophobicity. However, superhydrophilic surfaces fabricated by some existing methods easily become hydrophobic or superhydrophobic in air with time. Here, a facile method combined with electrochemical etching and boiling water immersion is developed to fabricate long-term underwater superoleophobic surfaces. The surface morphologies and chemical compositions are investigated. The results show that the electrochemically etched and boiling-water immersed Al surfaces have excellent long-term superhydrophilicity in air for over 1 year and boehmite plays an important role in maintaining long-term stability of wettability. Based on the fabricated underwater superoleophobic surfaces, a special method and device were developed to realize the underwater lossless manipulation of immiscible organic liquid droplets with a large volume. The capture and release of liquid droplets were realized by controlling the resultant force of the applied driving pressure, gravity and buoyancy. The research has potential application in research-fields such as the transfer of valuable reagents, accurate control of miniature chemical reactions, droplet-based reactors, and eliminates contamination of manipulator components.

  19. Fabrication of Long-Term Underwater Superoleophobic Al Surfaces and Application on Underwater Lossless Manipulation of Non-Polar Organic Liquids

    Science.gov (United States)

    Song, Jinlong; Huang, Liu; Lu, Yao; Liu, Xin; Deng, Xu; Yang, Xiaolong; Huang, Shuai; Sun, Jing; Jin, Zhuji; Parkin, Ivan P.

    2016-08-01

    Underwater superoleophobic surfaces have different applications in fields from oil/water separation to underwater lossless manipulation. This kind of surfaces can be easily transformed from superhydrophilic surfaces in air, which means the stability of superhydrophilicity in air determines the stability of underwater superoleophobicity. However, superhydrophilic surfaces fabricated by some existing methods easily become hydrophobic or superhydrophobic in air with time. Here, a facile method combined with electrochemical etching and boiling water immersion is developed to fabricate long-term underwater superoleophobic surfaces. The surface morphologies and chemical compositions are investigated. The results show that the electrochemically etched and boiling-water immersed Al surfaces have excellent long-term superhydrophilicity in air for over 1 year and boehmite plays an important role in maintaining long-term stability of wettability. Based on the fabricated underwater superoleophobic surfaces, a special method and device were developed to realize the underwater lossless manipulation of immiscible organic liquid droplets with a large volume. The capture and release of liquid droplets were realized by controlling the resultant force of the applied driving pressure, gravity and buoyancy. The research has potential application in research-fields such as the transfer of valuable reagents, accurate control of miniature chemical reactions, droplet-based reactors, and eliminates contamination of manipulator components.

  20. Evaluation of Extraction Protocols for Simultaneous Polar and Non-Polar Yeast Metabolite Analysis Using Multivariate Projection Methods

    Directory of Open Access Journals (Sweden)

    Nicolas P. Tambellini

    2013-07-01

    Full Text Available Metabolomic and lipidomic approaches aim to measure metabolites or lipids in the cell. Metabolite extraction is a key step in obtaining useful and reliable data for successful metabolite studies. Significant efforts have been made to identify the optimal extraction protocol for various platforms and biological systems, for both polar and non-polar metabolites. Here we report an approach utilizing chemoinformatics for systematic comparison of protocols to extract both from a single sample of the model yeast organism Saccharomyces cerevisiae. Three chloroform/methanol/water partitioning based extraction protocols found in literature were evaluated for their effectiveness at reproducibly extracting both polar and non-polar metabolites. Fatty acid methyl esters and methoxyamine/trimethylsilyl derivatized aqueous compounds were analyzed by gas chromatography mass spectrometry to evaluate non-polar or polar metabolite analysis. The comparative breadth and amount of recovered metabolites was evaluated using multivariate projection methods. This approach identified an optimal protocol consisting of 64 identified polar metabolites from 105 ion hits and 12 fatty acids recovered, and will potentially attenuate the error and variation associated with combining metabolite profiles from different samples for untargeted analysis with both polar and non-polar analytes. It also confirmed the value of using multivariate projection methods to compare established extraction protocols.

  1. Birefringent non-polarizing thin film design

    Institute of Scientific and Technical Information of China (English)

    QI Hongji; HONG Ruijin; HE Hongbo; SHAO Jianda; FAN Zhengxiu

    2005-01-01

    In this paper, 2×2 characteristic matrices of uniaxially anisotropic thin film for extraordinary and ordinary wave are deduced at oblique incidence. Furthermore, the reflectance and transmittance of thin films are calculated separately for two polarizations, which provide a new concept for designing non-polarizing thin films at oblique incidence. Besides, using the multilayer birefringent thin films, non-polarizing designs, such as beam splitter thin film at single wavelength, edge filter and antireflection thin film over visible spectral region are obtained at oblique incidence.

  2. Methods of making organic compounds by metathesis

    Energy Technology Data Exchange (ETDEWEB)

    Abraham, Timothy W.; Kaido, Hiroki; Lee, Choon Woo; Pederson, Richard L.; Schrodi, Yann; Tupy, Michael John

    2015-09-01

    Described are methods of making organic compounds by metathesis chemistry. The methods of the invention are particularly useful for making industrially-important organic compounds beginning with starting compositions derived from renewable feedstocks, such as natural oils. The methods make use of a cross-metathesis step with an olefin compound to produce functionalized alkene intermediates having a pre-determined double bond position. Once isolated, the functionalized alkene intermediate can be self-metathesized or cross-metathesized (e.g., with a second functionalized alkene) to produce the desired organic compound or a precursor thereto. The method may be used to make bifunctional organic compounds, such as diacids, diesters, dicarboxylate salts, acid/esters, acid/amines, acid/alcohols, acid/aldehydes, acid/ketones, acid/halides, acid/nitriles, ester/amines, ester/alcohols, ester/aldehydes, ester/ketones, ester/halides, ester/nitriles, and the like.

  3. Methods of making organic compounds by metathesis

    Energy Technology Data Exchange (ETDEWEB)

    Abraham, Timothy W.; Kaido, Hiroki; Lee, Choon Woo; Pederson, Richard L.; Schrodi, Yann; Tupy, Michael John

    2015-09-01

    Described are methods of making organic compounds by metathesis chemistry. The methods of the invention are particularly useful for making industrially-important organic compounds beginning with starting compositions derived from renewable feedstocks, such as natural oils. The methods make use of a cross-metathesis step with an olefin compound to produce functionalized alkene intermediates having a pre-determined double bond position. Once isolated, the functionalized alkene intermediate can be self-metathesized or cross-metathesized (e.g., with a second functionalized alkene) to produce the desired organic compound or a precursor thereto. The method may be used to make bifunctional organic compounds, such as diacids, diesters, dicarboxylate salts, acid/esters, acid/amines, acid/alcohols, acid/aldehydes, acid/ketones, acid/halides, acid/nitriles, ester/amines, ester/alcohols, ester/aldehydes, ester/ketones, ester/halides, ester/nitriles, and the like.

  4. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, L.A. Jr.

    1989-07-18

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  5. Organic electronic devices using phthalimide compounds

    Science.gov (United States)

    Hassan, Azad M.; Thompson, Mark E.

    2010-09-07

    Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

  6. Characterisation of selected volatile organic compounds in ...

    African Journals Online (AJOL)

    kshale

    2013-05-15

    May 15, 2013 ... spectrometry. K. Shale1*, J. Mukamugema2, R. J. Lues1, P. Venter3 and K. K. Mokoena1 ..... Cajka T, Riddellova K, Tomaniova M, Hajslova J (2010). Recognition of ... volatile organic compounds of coniferous needle litter.

  7. Volatile organic compound emissions from silage systems

    Science.gov (United States)

    As a precursor to smog, emission of volatile organic compounds (VOCs) to the atmosphere is an environmental concern in some regions. The major source from farms is silage, with emissions coming from the silo face, mixing wagon, and feed bunk. The major compounds emitted are alcohols with other impor...

  8. Solute transport model for trace organic neutral and charged compounds through nanofiltration and reverse osmosis membranes.

    Science.gov (United States)

    Kim, Tae-Uk; Drewes, Jörg E; Scott Summers, R; Amy, Gary L

    2007-09-01

    Rejection of trace organic compounds, including disinfection by-products (DBPs) and pharmaceutical active compounds (PhACs), by high-pressure membranes has become a focus of public interest internationally in both drinking water treatment and wastewater reclamation/reuse. The ability to simulate, or even predict, the rejection of these compounds by high-pressure membranes, encompassing nanofiltration (NF) and reverse osmosis (RO), will improve process economics and expand membrane applications. The objective of this research is to develop a membrane transport model to account for diffusive and convective contributions to solute transport and rejection. After completion of cross-flow tests and diffusion cell tests with target compounds, modeling efforts were performed in accordance with a non-equilibrium thermodynamic transport equation. Comparing the percentages of convection and diffusion contributions to transport, convection is dominant for most compounds, but diffusion is important for more hydrophobic non-polar compounds. Convection is also more dominant for looser membranes (i.e., NF). In addition, higher initial compound concentrations and greater J(0)/k ratios contribute to solute fluxes more dominated by convection. Given the treatment objective of compound rejection, compound transport and rejection trends are inversely related.

  9. Matrix effect on the performance of headspace solid phase microextraction method for the analysis of target volatile organic compounds (VOCs) in environmental samples.

    Science.gov (United States)

    Higashikawa, Fábio S; Cayuela, Maria Luz; Roig, Asunción; Silva, Carlos A; Sánchez-Monedero, Miguel A

    2013-11-01

    Solid phase microextraction (SPME) is a fast, cheap and solvent free methodology widely used for environmental analysis. A SPME methodology has been optimized for the analysis of VOCs in a range of matrices covering different soils of varying textures, organic matrices from manures and composts from different origins, and biochars. The performance of the technique was compared for the different matrices spiked with a multicomponent VOC mixture, selected to cover different VOC groups of environmental relevance (ketone, terpene, alcohol, aliphatic hydrocarbons and alkylbenzenes). VOC recovery was dependent on the nature itself of the VOC and the matrix characteristics. The SPME analysis of non-polar compounds, such as alkylbenzenes, terpenes and aliphatic hydrocarbons, was markedly affected by the type of matrix as a consequence of the competition for the adsorption sites in the SPME fiber. These non-polar compounds were strongly retained in the biochar surfaces limiting the use of SPME for this type of matrices. However, this adsorption capacity was not evident when biochar had undergone a weathering/aging process through composting. Polar compounds (alcohol and ketone) showed a similar behavior in all matrices, as a consequence of the hydrophilic characteristics, affected by water content in the matrix. SPME showed a good performance for soils and organic matrices especially for non-polar compounds, achieving a limit of detection (LD) and limit of quantification (LQ) of 0.02 and 0.03 ng g(-1) for non-polar compounds and poor extraction for more hydrophilic and polar compounds (LD and LQ higher 310 and 490 ng g(-1)). The characteristics of the matrix, especially pH and organic matter, had a marked impact on SPME, due to the competition of the analytes for active sites in the fiber, but VOC biodegradation should not be discarded in matrices with active microbial biomass.

  10. Atmospheric Chemistry of Micrometeoritic Organic Compounds

    Science.gov (United States)

    Kress, M. E.; Belle, C. L.; Pevyhouse, A. R.; Iraci, L. T.

    2011-01-01

    Micrometeorites approx.100 m in diameter deliver most of the Earth s annual accumulation of extraterrestrial material. These small particles are so strongly heated upon atmospheric entry that most of their volatile content is vaporized. Here we present preliminary results from two sets of experiments to investigate the fate of the organic fraction of micrometeorites. In the first set of experiments, 300 m particles of a CM carbonaceous chondrite were subject to flash pyrolysis, simulating atmospheric entry. In addition to CO and CO2, many organic compounds were released, including functionalized benzenes, hydrocarbons, and small polycyclic aromatic hydrocarbons. In the second set of experiments, we subjected two of these compounds to conditions that simulate the heterogeneous chemistry of Earth s upper atmosphere. We find evidence that meteor-derived compounds can follow reaction pathways leading to the formation of more complex organic compounds.

  11. Photocatalytic oxidation of organic compounds on Mars

    Science.gov (United States)

    Chun, S. F. S.; Pang, K. D.; Cutts, J. A.; Ajello, J. M.

    1978-01-01

    Ultraviolet-stimulated catalytic oxidation is proposed as a mechanism for the destruction of organic compounds on Mars. The process involves the presence of gaseous oxygen, UV radiation, and a catalyst (titanium dioxide), and all three of these have been found to be present in the Martian environment. Therefore it seems plausible that UV-stimulated oxidation of organics is responsible for degrading organic molecules into inorganic end products.

  12. Reflectance spectroscopy of organic compounds: 1. Alkanes

    Science.gov (United States)

    Clark, R.N.; Curchin, J.M.; Hoefen, T.M.; Swayze, G.A.

    2009-01-01

    Reflectance spectra of the organic compounds comprising the alkane series are presented from the ultraviolet to midinfrared, 0.35 to 15.5 /??m. Alkanes are hydrocarbon molecules containing only single carbon-carbon bonds, and are found naturally on the Earth and in the atmospheres of the giant planets and Saturn's moon, Titan. This paper presents the spectral properties of the alkanes as the first in a series of papers to build a spectral database of organic compounds for use in remote sensing studies. Applications range from mapping the environment on the Earth, to the search for organic molecules and life in the solar system and throughout the. universe. We show that the spectral reflectance properties of organic compounds are rich, with major diagnostic spectral features throughout the spectral range studied. Little to no spectral change was observed as a function of temperature and only small shifts and changes in the width of absorption bands were observed between liquids and solids, making remote detection of spectral properties throughout the solar system simpler. Some high molecular weight organic compounds contain single-bonded carbon chains and have spectra similar to alkanes even ' when they fall into other families. Small spectral differences are often present allowing discrimination among some compounds, further illustrating the need to catalog spectral properties for accurate remote sensing identification with spectroscopy.

  13. Volatile Organic Compounds are Ghosts for Organic Solar Cells

    Directory of Open Access Journals (Sweden)

    Prakash R. Somani

    2014-11-01

    Full Text Available All our efforts to demonstrate a multifunctional device – photovoltaic gas sensor (i.e. solar cell which show photovoltaic action depending on the gas / volatile organic compounds (VOC in the surrounding atmosphere yielded negative results. Photovoltaic performance of the organic solar cells under study degraded – almost permanently by exposing them to volatile organic compounds (VOCs. Although, the proposed multifunctional device could not be demonstrated; Present investigations yielded very important result that organic solar cells have problems not only with oxygen and humidity (known facts but also with many VOCs and hazardous gases – making lamination / encapsulation step mandatory for their practical utilization.

  14. Field effect transistors based on polycyclic aromatic hydrocarbons for the detection and classification of volatile organic compounds.

    Science.gov (United States)

    Bayn, Alona; Feng, Xinliang; Müllen, Klaus; Haick, Hossam

    2013-04-24

    We show that polycyclic aromatic hydrocarbon (PAH) based field effect transistor (FET) arrays can serve as excellent chemical sensors for the detection of volatile organic compounds (VOCs) under confounding humidity conditions. Using these sensors, w/o complementary pattern recognition methods, we study the ability of PAH-FET(s) to: (i) discriminate between aromatic and non-aromatic VOCs; (ii) distinguish polar and non-polar non-aromatic compounds; and to (iii) identify specific VOCs within the subgroups (i.e., aromatic compounds, polar non-aromatic compounds, non-polar non-aromatic compounds). We further study the effect of water vapor on the sensor array's discriminative ability and derive patterns that are stable when exposed to different constant values of background humidity. Patterns based on different independent electronic features from an array of PAH-FETs may bring us one step closer to creating a unique fingerprint for individual VOCs in real-world applications in atmospheres with varying levels of humidity.

  15. Comparison of extracts and toxicities of organic compounds in drinking water concentrated by single and composite XAD resins.

    Science.gov (United States)

    Zhou, Xue; Xiang, Lunhui; Wu, Fenghong; Peng, Xiaoling; Xie, Hong; Wang, Jiachun; Yang, Kedi; Lu, Wenqing; Wu, Zhigang

    2013-12-01

    We compared extracts and toxicities of organic compounds (OCs) in drinking water concentrated by composite XAD-2/8 resin (mixed with an equal volume of XAD-2 and XAD-8 resins) with those extracted by single XAD-2 (non-polar) and XAD-8 (polar) resins. Drinking water was processed from raw water of the Han River and the Yangtze River in Wuhan section, China. The extraction efficiency of all resins was controlled at 30%. The types of extracted OCs were detected by gas chromatography-mass spectrometry, and the cytotoxicity and genotoxicity were assessed by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) and comet assays, respectively, in human hepatoma HepG2 cells. Our results showed that XAD-2/8 extracted a larger variety of OCs, compared with XAD-8 and XAD-2. The cytotoxicity and genotoxicity of extracted OCs were in the order of XAD-8> XAD-2/8> XAD-2 at almost all tested concentrations after 24 h treatment (P < 0.05). Our findings suggest that single XAD resin selectively extracts either polar or non-polar OCs, which would lead to over- or under-estimation of the toxicity of drinking water. Nevertheless, composite resin extracts both polar and non-polar OCs, and could be utilized as a useful extraction technique to evaluate the level and toxicity of OCs in drinking water.

  16. Chlorinated organic compounds in urban river sediments

    Energy Technology Data Exchange (ETDEWEB)

    Soma, Y.; Shiraishi, H.; Inaba, K. [National Inst. of Environmental Studies, Tsukuba, Ibaraki (Japan)

    1995-12-31

    Among anthropogenic chemicals, many chlorinated organic compounds have been used as insecticides and detected frequently as contaminants in urban river sediments so far. However, the number and total amount of chemicals produced commercially and used are increasing year by year, though each amount of chemicals is not so high. New types of contaminants in the environment may be detected by the use of newly developed chemicals. Chlorinated organic compounds in the urban river sediments around Tokyo and Kyoto, large cities in Japan, were surveyed and recent trends of contaminants were studied. Contaminants of the river sediments in industrial areas had a variety, but PCB (polychlorinated biphenyls) was detected in common in industrial areas. Concentration of PCB related well to the number of factories on both sides of rivers, although the use of PCB was stopped 20 years ago. In domestic areas, Triclosan (5-chloro-2-(2,4-dichlorophenoxy)-phenol) and Triclocarban (3,4,4{prime}-trichlorocarbanilide)(both are contained in soap or shampoo for fungicides), p-dichlorobenzene (insecticides for wears) and TCEP(tris-chloroethyl phosphate) were detected. EOX(extracted organic halogen) in the sediments was 5 to 10 times of chlorinated organic compounds detected by GC/MS. Major part of organic halogen was suggested to be included in chlorinated organics formed by bleaching or sterilization.

  17. Adsorption of Organic Compounds to Building Products

    DEFF Research Database (Denmark)

    Kjær, Ulla Dorte

    The presence of VOCs (Volatile Organic Compounds) in the indoor air may be a contributory cause of complaints about irritation of mucous membranes in eyes, nose and throat, difficulty in breathing, frequent airway inflammation, skin irritation, fatigue, concentration difficulty, dizziness and hea...

  18. Quantitative extraction of organic tracer compounds from ambient particulate matter collected on polymer substrates.

    Science.gov (United States)

    Sun, Qinyue; Alexandrova, Olga A; Herckes, Pierre; Allen, Jonathan O

    2009-05-15

    Organic compounds in ambient particulate matter (PM) samples are used as tracers for PM source apportionment. These PM samples are collected using high volume samplers; one such sampler is an impactor in which polyurethane foam (PUF) and polypropylene foam (PPF) are used as the substrates. The polymer substrates have the advantage of limiting particle bounce artifacts during sampling; however these substrates may contain background organic additives. A protocol of two extractions with isopropanol followed by three extractions with dichloromethane (DCM) was developed for both substrate precleaning and analyte extraction. Some residual organic contaminants were present after precleaning; expressed as concentrations in a 24-h ambient PM sample, the residual amounts were 1 microg m(-3) for plasticizers and antioxidants, and 10 ng m(-3) for n-alkanes with carbon number lower than 26. The quantification limit for all other organic tracer compounds was approximately 0.1 ng m(-3) in a 24-h ambient PM sample. Recovery experiments were done using NIST Standard Reference Material (SRM) Urban Dust (1649a); the average recoveries for polycyclic aromatic hydrocarbons (PAHs) from PPF and PUF substrates were 117+/-8% and 107+/-11%, respectively. Replicate extractions were also done using the ambient samples collected in Nogales, Arizona. The relative differences between repeat analyses were less than 10% for 47 organic tracer compounds quantified. After the first extraction of ambient samples, less than 7% of organic tracer compounds remained in the extracted substrates. This method can be used to quantify a suite of semi- and non-polar organic tracer compounds suitable for source apportionment studies in 24-h ambient PM samples.

  19. EDITORIAL: Non-polar and semipolar nitride semiconductors Non-polar and semipolar nitride semiconductors

    Science.gov (United States)

    Han, Jung; Kneissl, Michael

    2012-02-01

    Throughout the history of group-III-nitride materials and devices, scientific breakthroughs and technological advances have gone hand-in-hand. In the late 1980s and early 1990s, the discovery of the nucleation of smooth (0001) GaN films on c-plane sapphire and the activation of p-dopants in GaN led very quickly to the realization of high-brightness blue and green LEDs, followed by the first demonstration of GaN-based violet laser diodes in the mid 1990s. Today, blue InGaN LEDs boast record external quantum efficiencies exceeding 80% and the emission wavelength of the InGaN-based laser diode has been pushed into the green spectral range. Although these tremenduous advances have already spurred multi-billion dollar industries, there are still a number of scientific questions and technological issues that are unanswered. One key challenge is related to the polar nature of the III-nitride wurtzite crystal. Until a decade ago all research activities had almost exclusively concentrated on (0001)-oriented polar GaN layers and heterostructures. Although the device characteristics seem excellent, the strong polarization fields at GaN heterointerfaces can lead to a significant deterioration of the device performance. Triggered by the first demonstration non-polar GaN quantum wells grown on LiAlO2 by Waltereit and colleagues in 2000, impressive advances in the area of non-polar and semipolar nitride semiconductors and devices have been achieved. Today, a large variety of heterostructures free of polarization fields and exhibiting exceptional electronic and optical properties have been demonstrated, and the fundamental understanding of polar, semipolar and non-polar nitrides has made significant leaps forward. The contributions in this Semiconductor Science and Technology special issue on non-polar and semipolar nitride semiconductors provide an impressive and up-to-date cross-section of all areas of research and device physics in this field. The articles cover a wide range of

  20. Characterization of A New Organic Photochromic Compound

    Institute of Scientific and Technical Information of China (English)

    LIU,Guang-Fei; LIU,Lang; JIA,Dian-Zeng; HU,Xin; YU,Kai-Bei

    2004-01-01

    @@ A new organic photochromic compound, 1-phenyl-3-methyl-4-(4-fluoro)-benzal-5-pyrazolone ethanyl-thiosemicarbazone (PM4FBP-ETSC) was found to undergo photochromic reactions in the solid state. Upon irradiation with 365nm light the white powder sample turned light yellow. The photochromic properties were characterized by the time-dependent UV-vis reflective spectra. The structure of PM4FBP-ETSC was determined by single crystal X-ray diffraction.

  1. Biogenic volatile organic compounds - small is beautiful

    Science.gov (United States)

    Owen, S. M.; Asensio, D.; Li, Q.; Penuelas, J.

    2012-12-01

    While canopy and regional scale flux measurements of biogenic volatile organic compounds (bVOCs) are essential to obtain an integrated picture of total compound reaching the atmosphere, many fascinating and important emission details are waiting to be discovered at smaller scales, in different ecological and functional compartments. We concentrate on bVOCs below ground to allelopathy. A gradient of monoterpene concentration was found in soil around Pinus sylvestris and Pinus halepensis, decreasing with distance from the tree. Some compounds (α-pinene, sabinene, humulene and caryophyllene) in mineral soil were linearly correlated with the total amount of each compound in the overlying litter, indicating that litter might be the dominant source of these compounds. However, α-pinene did not fall within the correlation, indicating a source other than litter, probably root exudates. We also show that rhizosphere bVOCs can be a carbon source for soil microbes. In a horizontal gradient from Populus tremula trees, microbes closest to the tree trunk were better enzymatically equipped to metabolise labeled monoterpene substrate. Monoterpenes can also increase the degradation rate in soil of the persistant organic pollutants, likely acting as analogues for the cometabo-lism of polychlorinated biphenyls (PCBs) Flowers of a ginger species (Alpinia kwangsiensis) and a fig species (Ficus hispida) showed different bVOC signals pre- and post pollination. For Ficus hispida, there are three floral stages of a fig-wasp dependency mechanism: receptive, post pollinator and interfloral. Of 28 compounds detected, transcaryophyllene with trans-β-farnesene were the most important at the receptor stage, trans-caryophyllene was the most abundant at the post-pollinator stage, and isoprene was the most abundant in the interfloral stage. Alpinia kwangsiensis presents two morphologies for the reproductive parts of the flower. The "anaflexistyle" morphology has the flower style lowered in the

  2. The Atmospheric Fate of Organic Nitrogen Compounds

    Science.gov (United States)

    Borduas, Nadine

    Organic nitrogen compounds are present in our atmosphere from biogenic and anthropogenic sources and have impacts on air quality and climate. Due to recent advances in instrumentation, these compounds are being detected in the gas and particle phases, raising questions as to their source, processing and sinks in the environment. With their recently identified role as contributors to aerosol formation and growth, their novel large scale use as solvents in carbon capture and storage (CCS) technology and their emissions from cigarette smoke, it is now important to address the gaps in our understanding of the fate of organic nitrogen. Experimentally and theoretically, I studied the chemical atmospheric fate of specific organic nitrogen compounds in the amine, amide and isocyanate families, yielding information that can be used in chemical transport models to assess the fate of this emerging class of atmospheric molecules. I performed kinetic laboratory studies in a smog chamber to measure the room temperature rate coefficient for reaction with the hydroxyl radical of monoethanolamine, nicotine, and five different amides. I employed online-mass spectrometry techniques to quantify the oxidation products. I found that amines react quickly with OH radicals with lifetimes of a few hours under sunlit conditions, producing amides as oxidation products. My studies on amides revealed that they have much longer lifetimes in the atmosphere, ranging from a few hours to a week. Photo-oxidation of amides produces isocyanates and I investigated these mechanisms in detail using ab initio calculations. Furthermore, I experimentally measured isocyanic acid's Henry's Law constant as well as its hydrolysis rate constants to better understand its sinks in the atmosphere. Finally, I re-examined the structure-activity relationship (SAR) of organic nitrogen molecules for improved model parameterizations.

  3. Palladium catalyzed hydrogenation of bio-oils and organic compounds

    Science.gov (United States)

    Elliott, Douglas C.; Hu, Jianli; Hart, Todd R.; Neuenschwander, Gary G.

    2008-09-16

    The invention provides palladium-catalyzed hydrogenations of bio-oils and certain organic compounds. Experimental results have shown unexpected and superior results for palladium-catalyzed hydrogenations of organic compounds typically found in bio-oils.

  4. Pengaruh Prosentase Solvent Non Polar dalam Campuran Pelarut terhadap Pemisahan Senyawa Non Polar dari Minyak Nyamplung

    Directory of Open Access Journals (Sweden)

    Desy Anggraini

    2014-03-01

    Full Text Available Minyak nyamplung (Calophyllum inophyllum oil dikenal sebagai minyak yang tidak dapat dikonsumsi. Oleh sebab itu, penelitian tentang minyak ini kebanyakan hanya terfokus pada konversi minyak menjadi biodiesel. Pada penelitian ini, diharapkan agar trigliserida (senyawa non polar terpisah dengan resin beracun yang ada di dalam minyak nyamplung itu sendiri, dengan tujuan agar minyak nyamplung bisa dikonsumsi oleh manusia. Minyak nyamplung sendiri disinyalir mengandung senyawa anti HIV dan anti tumor yang sangat berfungsi bagi manusia. Resin beracun yang terdapat dalam minyak ini diidentifikasi sebagai phthalic acid ester (PAE. Trigliserida dalam minyak nyamplung sendiri berkisar antara 70-80%, sehingga jika trigliserida ini dapat terpisah dengan baik dari PAE atau komponen lain yang berbahaya dalam minyak nyamplung, bukan tidak mungkin minyak nyamplung nantinya akan dapat dikonsumsi oleh manusia. Proses isolasi trigliserida dimulai dengan memisahkan senyawa yang diinginkan dari lipid menggunakan ekstraksi pelarut-pelarut dengan dua macam variable solvent yaitu : n-hexane-methanol serta petroleum eter-methanol. Pemilihan pelarut berdasarkan atas nilai kepolaran yang dimilikinya karena solvent yang saling larut tidak dapat digunakan dalam ekstraksi ini. Rasio jumlah solvent non polar dan polar ini juga divariasikan, yaitu : 100:0, 75:25, 50:50 dan 0:100.

  5. Volatile Organic Compound Analysis in Istanbul

    Science.gov (United States)

    Ćapraz, Ö.; Deniz, A.; Öztürk, A.; Incecik, S.; Toros, H.; Coşkun, M.

    2012-04-01

    Volatile Organic Compound Analysis in Istanbul Ö. Çapraz1, A. Deniz1,3, A. Ozturk2, S. Incecik1, H. Toros1 and, M. Coskun1 (1) Istanbul Technical University, Faculty of Aeronautics and Astronautics, Department of Meteorology, 34469, Maslak, Istanbul, Turkey. (2) Istanbul Technical University, Faculty of Chemical and Metallurgical, Chemical Engineering, 34469, Maslak, Istanbul, Turkey. (3) Marmara Clean Air Center, Ministry of Environment and Urbanization, Nişantaşı, 34365, İstanbul, Turkey. One of the major problems of megacities is air pollution. Therefore, investigations of air quality are increasing and supported by many institutions in recent years. Air pollution in Istanbul contains many components that originate from a wide range of industrial, heating, motor vehicle, and natural emissions sources. VOC, originating mainly from automobile exhaust, secondhand smoke and building materials, are one of these compounds containing some thousands of chemicals. In spite of the risks to human health, relatively little is known about the levels of VOC in Istanbul. In this study, ambient air quality measurements of 32 VOCs including hydrocarbons, halogenated hydrocarbons and carbonyls were conducted in Kağıthane (Golden Horn) region in Istanbul during the winter season of 2011 in order to develop the necessary scientific framework for the subsequent developments. Kağıthane creek valley is the source part of the Golden Horn and one of the most polluted locations in Istanbul due to its topographical form and pollutant sources in the region. In this valley, horizontal and vertical atmospheric motions are very weak. The target compounds most commonly found were benzene, toluene, xylene and ethyl benzene. Concentrations of total hydrocarbons ranged between 1.0 and 10.0 parts per billion, by volume (ppbv). Ambient air levels of halogenated hydrocarbons appeared to exhibit unique spatial variations and no single factor seemed to explain trends for this group of

  6. Measurement of volatile organic compounds inside automobiles.

    Science.gov (United States)

    Fedoruk, Marion J; Kerger, Brent D

    2003-01-01

    The objective of the current study was to evaluate the types and concentrations of volatile organic compounds (VOCs) in the passenger cabin of selected sedan automobiles under static (parked, unventilated) and specified conditions of operation (i.e., driving the vehicle using air conditioning alone, vent mode alone, or driver's window half open). Data were collected on five different passenger sedan vehicles from three major automobile manufacturers. Airborne concentrations were assessed using 90-min time-weighted average (TWA) samples under U.S. Environmental Protection Agency (USEPA) Method IP-1B to assess individual VOC compounds and total VOCs (TVOCs) calibrated to toluene. Static vehicle testing demonstrated TVOC levels of approximately 400-800 microg/m(3) at warm interior vehicle temperatures (approximately 80 degrees F), whereas TVOCs at least fivefold higher were observed under extreme heat conditions (e.g., up to 145 degrees F). The profile of most prevalent individual VOC compounds varied considerably according to vehicle brand, age, and interior temperature tested, with predominant compounds including styrene, toluene, and 8- to 12-carbon VOCs. TVOC levels under varied operating conditions (and ventilation) were generally four- to eightfold lower (at approximately 50-160 microg/m(3)) than the static vehicle measurements under warm conditions, with the lowest measured levels generally observed in the trials with the driver's window half open. These data indicate that while relatively high concentrations of certain VOCs can be measured inside static vehicles under extreme heat conditions, normal modes of operation rapidly reduce the inside-vehicle VOC concentrations even when the air conditioning is set on recirculation mode.

  7. Organic compounds as indicators of air pollution

    DEFF Research Database (Denmark)

    Mølhave, Lars

    2003-01-01

    The most important indoor air pollutants have already been addressedwith individual national guidelines or recommendations. However, an interna-tional set of guidelines or recommendations for indoor air quality (IAQ) isneeded for these pollutants based on general and uniform rules for setting...... suchstandards. A major research need exist on the less adverse pollutants beforerecommendations or guidelines can be established. In the interim period a pre-caution principle should lead to an ALARA principle for these secondary cau-salities. It should be noted that volatile organic compound (VOC......) is an indicatorfor the presence of VOC indoors. The TVOC indicator can be used in relation toexposure characterization and source identification but for VOCs only, not as anindictor of other pollutants and their health effects. In risk assessment the TVOCindicator can only be used as a screening tool and only...

  8. Volatile organic compound detection using nanostructured copolymers.

    Science.gov (United States)

    Li, Bo; Sauvé, Genevieve; Iovu, Mihaela C; Jeffries-El, Malika; Zhang, Rui; Cooper, Jessica; Santhanam, Suresh; Schultz, Lawrence; Revelli, Joseph C; Kusne, Aaron G; Kowalewski, Tomasz; Snyder, Jay L; Weiss, Lee E; Fedder, Gary K; McCullough, Richard D; Lambeth, David N

    2006-08-01

    Regioregular polythiophene-based conductive copolymers with highly crystalline nanostructures are shown to hold considerable promise as the active layer in volatile organic compound (VOC) chemresistor sensors. While the regioregular polythiophene polymer chain provides a charge conduction path, its chemical sensing selectivity and sensitivity can be altered either by incorporating a second polymer to form a block copolymer or by making a random copolymer of polythiophene with different alkyl side chains. The copolymers were exposed to a variety of VOC vapors, and the electrical conductivity of these copolymers increased or decreased depending upon the polymer composition and the specific analytes. Measurements were made at room temperature, and the responses were found to be fast and appeared to be completely reversible. Using various copolymers of polythiophene in a sensor array can provide much better discrimination to various analytes than existing solid state sensors. Our data strongly indicate that several sensing mechanisms are at play simultaneously, and we briefly discuss some of them.

  9. Organic compounds as indicators of air pollution

    DEFF Research Database (Denmark)

    Mølhave, Lars

    2003-01-01

    The most important indoor air pollutants have already been addressedwith individual national guidelines or recommendations. However, an interna-tional set of guidelines or recommendations for indoor air quality (IAQ) isneeded for these pollutants based on general and uniform rules for setting...... suchstandards. A major research need exist on the less adverse pollutants beforerecommendations or guidelines can be established. In the interim period a pre-caution principle should lead to an ALARA principle for these secondary cau-salities. It should be noted that volatile organic compound (VOC......) is an indicatorfor the presence of VOC indoors. The TVOC indicator can be used in relation toexposure characterization and source identification but for VOCs only, not as anindictor of other pollutants and their health effects. In risk assessment the TVOCindicator can only be used as a screening tool and only...

  10. Internal mixing of the organic aerosol by gas phase diffusion of semivolatile organic compounds

    Directory of Open Access Journals (Sweden)

    C. Marcolli

    2004-01-01

    Full Text Available This paper shows that most of the so far identified constituents of the tropospheric organic particulate matter belong to a semivolatile fraction for which gas phase diffusion in the lower troposphere is sufficiently fast to establish thermodynamic equilibrium between aerosol particles. For the first time analytical expressions for this process are derived. Inspection of vapor pressure data of a series of organic substances allows a rough estimate for which substances this mixing process must be considered. As general benchmarks we conclude that for typical aerosol radii between 0.1 and 1 µm this mixing process is efficient at 25°C for polar species with molecular weights up to 200 and for non-polar species up to 320. At −10°C, these values are shifted to 150 for polar and to 270 for non-polar substances. The extent of mixing of this semivolatile fraction is governed by equilibrium thermodynamics, leading to a selectively, though not completely, internally mixed aerosol. The internal mixing leads to a systematic depression of melting and deliquescence points of organic and mixed organic/inorganic aerosols, thus leading to an aerosol population in the lower troposphere which is predominantly liquid.

  11. Simulations of charge transport in organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vehoff, Thorsten

    2010-05-05

    We study the charge transport properties of organic liquid crystals, i.e. hexabenzocoronene and carbazole macrocycle, and single crystals, i.e. rubrene, indolocarbazole and benzothiophene derivatives (BTBT, BBBT). The aim is to find structure-property relationships linking the chemical structure as well as the morphology with the bulk charge carrier mobility of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges and molecular orbitals are calculated based on single molecules in vacuum using quantum chemical methods. The molecular orbitals are then mapped onto the molecular positions and orientations, which allows calculation of the transfer integrals between nearest neighbors using the molecular orbital overlap method. Thus we obtain realistic transfer integral distributions and their autocorrelations. In case of organic crystals the differences between two descriptions of charge transport, namely semi-classical dynamics (SCD) in the small polaron limit and kinetic Monte Carlo (KMC) based on Marcus rates, are studied. The liquid crystals are investigated solely in the hopping limit. To simulate the charge dynamics using KMC, the centers of mass of the molecules are mapped onto lattice sites and the transfer integrals are used to compute the hopping rates. In the small polaron limit, where the electronic wave function is spread over a limited number of neighboring molecules, the Schroedinger equation is solved numerically using a semi-classical approach. The carbazole macrocycles form columnar structures arranged on a hexagonal lattice with side chains facing inwards, so columns can closely approach each other allowing inter-columnar and thus three-dimensional transport. We are able to show that, on the time-scales of charge transport, static disorder due to slow side chain motions is the main factor determining the mobility. The high mobility of rubrene is explained by two main

  12. Metal organic frameworks as sorption media for volatile and semi-volatile organic compounds at ambient conditions

    Science.gov (United States)

    Vellingiri, Kowsalya; Szulejko, Jan E.; Kumar, Pawan; Kwon, Eilhann E.; Kim, Ki-Hyun; Deep, Akash; Boukhvalov, Danil W.; Brown, Richard J. C.

    2016-06-01

    In this research, we investigated the sorptive behavior of a mixture of 14 volatile and semi-volatile organic compounds (four aromatic hydrocarbons (benzene, toluene, p-xylene, and styrene), six C2-C5 volatile fatty acids (VFAs), two phenols, and two indoles) against three metal-organic frameworks (MOFs), i.e., MOF-5, Eu-MOF, and MOF-199 at 5 to 10 mPa VOC partial pressures (25 °C). The selected MOFs exhibited the strongest affinity for semi-volatile (polar) VOC molecules (skatole), whereas the weakest affinity toward was volatile (non-polar) VOC molecules (i.e., benzene). Our experimental results were also supported through simulation analysis in which polar molecules were bound most strongly to MOF-199, reflecting the presence of strong interactions of Cu2+ with polar VOCs. In addition, the performance of selected MOFs was compared to three well-known commercial sorbents (Tenax TA, Carbopack X, and Carboxen 1000) under the same conditions. The estimated equilibrium adsorption capacity (mg.g‑1) for the all target VOCs was in the order of; MOF-199 (71.7) >Carboxen-1000 (68.4) >Eu-MOF (27.9) >Carbopack X (24.3) >MOF-5 (12.7) >Tenax TA (10.6). Hopefully, outcome of this study are expected to open a new corridor to expand the practical application of MOFs for the treatment diverse VOC mixtures.

  13. Tritium labeling of organic compounds deposited on porous structures

    Science.gov (United States)

    Ehrenkaufer, Richard L. E.; Wolf, Alfred P.; Hembree, Wylie C.

    1979-01-01

    An improved process for labeling organic compounds with tritium is carried out by depositing the selected compound on the extensive surface of a porous structure such as a membrane filter and exposing the membrane containing the compound to tritium gas activated by the microwave discharge technique. The labeled compound is then recovered from the porous structure.

  14. Investigations on organogermanium compounds XII. Reactions of trialkylgermylalkalimetal compounds in hexamethylphosphoric triamide (HMPT) with some inorganic and organic compounds

    NARCIS (Netherlands)

    Bulten, E.J.; Noltes, J.G.

    1971-01-01

    Trialkylgermyl alkali metal compounds in HMPT have been found to be highly reactive nucleophiles. Reactions with some inorganic and organic compounds, such as oxygen, carbon dioxide, inorganic and orgaanic halides, aldehydes, ketones, epoxides and lactones are described. Several new

  15. Organic compounds in concrete from demolition works.

    Science.gov (United States)

    Van Praagh, M; Modin, H; Trygg, J

    2015-11-01

    This study aims to verify the effect of physically removing the outer surface of contaminated concrete on total contents and on potential mobility of pollutants by means of leaching tests. Reclaimed concrete from 3 industrial sites in Sweden were included: A tar impregnated military storage, a military tar track-depot, as well as concrete constructions used for disposing of pesticide production surplus and residues. Solid materials and leachates from batch and column leaching tests were analysed for metals, Cl, F, SO4, DOC and contents of suspected organic compounds (polycyclic aromatic hydrocarbons, PAH, and pesticides/substances for pesticide production such as phenoxy acids, chlorophenols and chlorocresols, respectively). In case of PAH contaminated concrete, results indicate that removing 1 or 5 mm of the surface lead to total concentrations below the Swedish guidelines for recycling of aggregates and soil in groundwork constructions. 3 out of 4 concrete samples contaminated with pesticides fulfilled Swedish guidelines for contaminated soil. Results from batch and column leaching tests indicated, however, that concentrations above environmental quality standards for certain PAH and phenoxy acids, respectively, might occur at site when the crushed concrete is recycled in groundwork constructions. As leaching tests engaged in the study deviated from leaching test standards with a limited number of samples, the potential impact of the leaching tests' equipment on measured PAH and pesticide leachate concentrations has to be evaluated in future work.

  16. FIELD SCREENING FOR HALOGENATED VOLATILE ORGANIC COMPOUNDS

    Energy Technology Data Exchange (ETDEWEB)

    John F. Schabron; Joseph F. Rovani Jr.; Theresa M. Bomstad

    2002-06-01

    Western Research Institute (WRI) initiated exploratory work towards the development of new field screening methodology and a test kit to measure halogenated volatile organic compounds (VOCs) in the field. Heated diode and corona discharge sensors are commonly used to detect leaks of refrigerants from air conditioners, freezers, and refrigerators. They are both selective to the presence of carbon-halogen bonds. Commercially available heated diode and corona discharge leak detectors were procured and evaluated for halogenated VOC response. The units were modified to provide a digital readout of signal related to VOC concentration. Sensor response was evaluated with carbon tetrachloride and tetrachloroethylene (perchloroethylene, PCE), which represent halogenated VOCs with and without double bonds. The response characteristics were determined for the VOCs directly in headspace in Tedlar bag containers. Quantitation limits in air were estimated. Potential interferences from volatile hydrocarbons, such as toluene and heptane, were evaluated. The effect of humidity was studied also. The performance of the new devices was evaluated in the laboratory by spiking soil samples and monitoring headspace for halogenated VOCs. A draft concept of the steps for a new analytical method was outlined. The results of the first year effort show that both devices show potential utility for future analytical method development work towards the goal of developing a portable test kit for screening halogenated VOCs in the field.

  17. Volatile organic compound remedial action project

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1991-12-01

    This Environmental Assessment (EA) reviews a proposed project that is planned to reduce the levels of volatile organic compound (VOC) contaminants present in the Mound domestic water supply. The potable and industrial process water supply for Mound is presently obtained from a shallow aquifer via on-site production wells. The present levels of VOCs in the water supply drawn from the on-site wells are below the maximum contaminant levels (MCLs) permissible for drinking water under Safe Drinking Water Act (SDWA; 40 CFR 141); however, Mound has determined that remedial measures should be taken to further reduce the VOC levels. The proposed project action is the reduction of the VOC levels in the water supply using packed tower aeration (PTA). This document is intended to satisfy the requirements of the National Environmental Policy Act (NEPA) of 1969 and associated Council on Environmental Quality regulations (40 CFR parts 1500 through 1508) as implemented through U.S. Department of Energy (DOE) Order 5440.1D and supporting DOE NEPA Guidelines (52 FR 47662), as amended (54 FR 12474; 55 FR 37174), and as modified by the Secretary of Energy Notice (SEN) 15-90 and associated guidance. As required, this EA provides sufficient information on the probable environmental impacts of the proposed action and alternatives to support a DOE decision either to prepare an Environmental Impact Statement (EIS) or issue a Finding of No Significant Impact (FONSI).

  18. Extraction of organic compounds from brown coal

    Directory of Open Access Journals (Sweden)

    Slavomír Hredzák

    2005-11-01

    Full Text Available The paper presents the study on the extraction of organic compounds (low-molecular weight - diterpenes, high-molecular weight - fullerenes and humic acids from Handlová brown coal and pyrolytic soot. It was confirmed that the coal extract with a diterpene content - 16 β (H kaurene was obtained by the supercritical fluid extraction (using CO2 and modificator - tetrahydrofurane/acetone, 8:2 w/w at T = 90 oC and p = 30 MPa. The occurrence of fullerenes in the toluene extract of solid carbon product has confirmed by the MALDI - TOF - MS and UV-VIS spectroscopy. In the extraction process of GACL (Grinding Aqueous Caustic Leaching at the concentration of 0.1 % NaOH, the content of humic acids (HK in the physically untreated and pretreated sample increased by 6.09 and 4.57 times, respectively. In the case of higher leaching agent concentration (2 % NaOH, the content of HK in the physically untreated and pretreated sample increased by 8,67 and 8,21 times, respectively.

  19. Integrated modelling of two xenobiotic organic compounds

    DEFF Research Database (Denmark)

    Lindblom, Erik Ulfson; Gernaey, K.V.; Henze, Mogens

    2006-01-01

    compounds, is carried out. Sorption and specific biological degradation processes are integrated with standardised water process models to model the fate of both compounds. Simulated mass flows of the two compounds during one dry weather day and one wet weather day are compared for realistic influent flow...... rate and concentration profiles. The wet weather day induces resuspension of stored sediments, which increases the pollutant load on the downstream system. The potential of the model to elucidate important phenomena related to origin and fate of the model compounds is demonstrated....

  20. Relative Stabilities of Organic Compounds Using Benson's Additivity Rules.

    Science.gov (United States)

    Vitale, Dale E.

    1986-01-01

    Shows how the structure-energy principle can be presented in organic chemistry (without having to resort to quantum mechanics) by use of Benson's Additive Rules. Examples of the application to several major classes of organic compounds are given.

  1. Organic compounds in the urban dusts in Celje area

    OpenAIRE

    Gorazd Žibret

    2013-01-01

    This paper presents the results of the analysis of organic chemicals in different urban dusts. The aim of the researchis preliminary evaluation of the presence of organic contaminants in household dust, attic dust and streetsediment. Celje area has been chosen as a pilot study site due to availability of sampling materials from previoussampling campaigns. Samples have been tested to the presence of 120 organic compounds. Attic dust contains 98different organic compounds or 82 % of all measure...

  2. FIELD SCREENING FOR HALOGENATED VOLATILE ORGANIC COMPOUNDS

    Energy Technology Data Exchange (ETDEWEB)

    John F. Schabron; Joseph F. Rovani, Jr.; Theresa M. Bomstad

    2003-07-01

    Western Research Institute (WRI) is continuing work toward the development of new screening methodology and a test kit to measure halogenated volatile organic compounds (VOCs) in the field. Heated diode and corona discharge sensors are commonly used to detect leaks of refrigerants from air conditioners, freezers, and refrigerators. They are both selective to the presence of halogens. In prior work, the devices were tested for response to carbon tetrachloride, heptane, toluene, and water vapors. In the current work, sensor response was evaluated with sixteen halogenated VOCs relative to carbon tetrachloride. The results show that the response of the various chlorinated VOCs is within an order of magnitude of the response to carbon tetrachloride for each of the sensors. Thus, for field screening a single response factor can be used. Both types of leak detectors are being further modified to provide an on-board LCD signal readout, which is related to VOC concentration. The units will be fully portable and will operate with 115-V line or battery power. Signal background, noise level, and response data on the Bacharach heated diode detector and the TIF corona discharge detector show that when the response curves are plotted against the log of concentration, the plot is linear to the upper limit for the particular unit, with some curvature at lower levels. When response is plotted directly against concentration, the response is linear at the low end and is curved at the high end. The dynamic ranges for carbon tetrachloride of the two devices from the lower detection limit (S/N=2) to signal saturation are 4-850 vapor parts per million (vppm) for the corona discharge unit and 0.01-70 vppm for the heated diode unit. Additional circuit modifications are being made to lower the detection limit and increase the dynamic response range of the corona discharge unit. The results indicate that both devices show potential utility for future analytical method development work toward

  3. 40 CFR 60.462 - Standards for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... Coil Surface Coating § 60.462 Standards for volatile organic compounds. (a) On and after the date on... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standards for volatile organic compounds. 60.462 Section 60.462 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  4. 40 CFR 60.542 - Standards for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... Rubber Tire Manufacturing Industry § 60.542 Standards for volatile organic compounds. (a) On and after... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standards for volatile organic compounds. 60.542 Section 60.542 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  5. 40 CFR 60.442 - Standard for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standard for volatile organic compounds... Pressure Sensitive Tape and Label Surface Coating Operations § 60.442 Standard for volatile organic compounds. (a) On and after the date on which the performance test required by § 60.8 has been...

  6. 40 CFR 60.622 - Standards for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... Petroleum Dry Cleaners § 60.622 Standards for volatile organic compounds. (a) Each affected petroleum... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standards for volatile organic compounds. 60.622 Section 60.622 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  7. 40 CFR 60.582 - Standard for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standard for volatile organic compounds. 60.582 Section 60.582 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR... Flexible Vinyl and Urethane Coating and Printing § 60.582 Standard for volatile organic compounds. (a)...

  8. 40 CFR 60.712 - Standards for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... Magnetic Tape Coating Facilities § 60.712 Standards for volatile organic compounds. Each owner or operator... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standards for volatile organic compounds. 60.712 Section 60.712 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  9. 40 CFR 60.492 - Standards for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... Beverage Can Surface Coating Industry § 60.492 Standards for volatile organic compounds. On or after the... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standards for volatile organic compounds. 60.492 Section 60.492 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  10. 40 CFR 60.392 - Standards for volatile organic compounds

    Science.gov (United States)

    2010-07-01

    ... Automobile and Light Duty Truck Surface Coating Operations § 60.392 Standards for volatile organic compounds... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standards for volatile organic compounds 60.392 Section 60.392 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  11. 40 CFR 60.722 - Standards for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... volatile organic compounds. (a) Each owner or operator of any affected facility which is subject to the... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standards for volatile organic compounds. 60.722 Section 60.722 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  12. 40 CFR 60.452 - Standard for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standard for volatile organic compounds. 60.452 Section 60.452 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR... Industrial Surface Coating: Large Appliances § 60.452 Standard for volatile organic compounds. On or...

  13. 40 CFR 60.602 - Standard for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standard for volatile organic compounds. 60.602 Section 60.602 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR... Synthetic Fiber Production Facilities § 60.602 Standard for volatile organic compounds. On and after...

  14. 40 CFR 60.742 - Standards for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... Polymeric Coating of Supporting Substrates Facilities § 60.742 Standards for volatile organic compounds. (a... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standards for volatile organic compounds. 60.742 Section 60.742 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  15. OCCURRENCE & CHEMISTRY OF ORGANIC COMPOUNDS IN HANFORD SITE WASTE TANKS

    Energy Technology Data Exchange (ETDEWEB)

    STOCK, L.M.; MEACHAM, J.E.

    2004-07-29

    Volatile and semivolatile organic compounds continuously evolve from the waste tanks at the Hanford Site. Some are identical to the compounds originally transferred to tanks and others are formed through interdependent chemical and radiolytic reactions. This document provides a technical basis for understanding the chemical consequences of long term storage, sluicing, the addition of chemicals, and the prediction of other organic compounds that may be present in the wastes.

  16. Kineic Modelling of Degradation of Organic Compounds in Soils

    Institute of Scientific and Technical Information of China (English)

    WANGZONGSHENG; ZHANGSHUIMING; 等

    1997-01-01

    A set of equations in suggested to describe the kinetics of degradation of organic ompounds applied to soils ad the kinetics of growth of the inolved microorganisms:-dx/dt=jx+kxm dm/dt=-fm+gxm where x is the concentration of organic compound at time t,m is the numer of microorganisms capable of degrading the organic compound at time t,while j,k,f and g are positive constants,This model can satisfactorily be used to explain the degradation curve of organic compounds and the growth curve of the involved microorganisms.

  17. Atmospheric degradation mechanism of organic sulfur compounds

    Energy Technology Data Exchange (ETDEWEB)

    Benter, T.; Arsene, C.

    2002-02-01

    In the present work a detailed product study has been performed on the OH radical initiated oxidation of dimethyl sulphide and dimethyl sulphoxide, under different conditions of temperature, partial pressure of oxygen and NO{sub x} concentration, in order to better define the degradation mechanism of the above compounds under conditions which prevail in the atmosphere. (orig.)

  18. Preliminary classification of characteristic organic gunshot residue compounds.

    Science.gov (United States)

    Goudsmits, Ellen; Sharples, George P; Birkett, Jason W

    2016-12-01

    For the first time, a classification system for organic gunshot residue (OGSR) compounds with respect to the confirmation of OGSR materials is presented. There are 136 compounds considered to be associated with OGSR that have been highlighted in the literature. Many of these compounds could be classified as being ubiquitous in the environment and thus their detection as characteristic components of OGSR could cause issues with the interpretation of chemical ballistic evidence. The proposed system aims to address this problem by classifying OGSR compounds based on their forensic relevance with respect to the confirmation of GSR materials. To increase the forensic relevance of such a system, the large number of OGSR compounds reported in the literature has been decreased to 20 OGSR compounds based on the organic chemical composition of over 200 propellant powders. Occupational and environmental materials also associated with OGSR compounds have been considered.

  19. Pilot scale test of a produced water-treatment system for initial removal of organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, Enid J [Los Alamos National Laboratory; Kwon, Soondong [UT-AUSTIN; Katz, Lynn [UT-AUSTIN; Kinney, Kerry [UT-AUSTIN

    2008-01-01

    A pilot-scale test to remove polar and non-polar organics from produced water was performed at a disposal facility in Farmington NM. We used surfactant-modified zeolite (SMZ) adsorbent beds and a membrane bioreactor (MBR) in combination to reduce the organic carbon content of produced water prior to reverse osmosis (RO). Reduction of total influent organic carbon (TOC) to 5 mg/L or less is desirable for efficient RO system operation. Most water disposed at the facility is from coal-bed gas production, with oil production waters intermixed. Up to 20 gal/d of produced water was cycled through two SMZ adsorbent units to remove volatile organic compounds (BTEX, acetone) and semivolatile organic compounds (e.g., napthalene). Output water from the SMZ units was sent to the MBR for removal of the organic acid component of TOC. Removal of inorganic (Mn and Fe oxide) particulates by the SMZ system was observed. The SMZ columns removed up to 40% of the influent TOC (600 mg/L). BTEX concentrations were reduced from the initial input of 70 mg/L to 5 mg/L by the SMZ and to an average of 2 mg/L after the MBR. Removal rates of acetate (input 120-170 mg/L) and TOC (input up to 45 mg/L) were up to 100% and 92%, respectively. The water pH rose from 8.5 to 8.8 following organic acid removal in the MBR; this relatively high pH was likely responsible for observed scaling of the MBR internal membrane. Additional laboratory studies showed the scaling can be reduced by metered addition of acid to reduce the pH. Significantly, organic removal in the MBR was accomplished with a very low biomass concentration of 1 g/L throughout the field trial. An earlier engineering evaluation shows produced water treatment by the SMZ/MBR/RO system would cost from $0.13 to $0.20 per bbl at up to 40 gpm. Current estimated disposal costs for produced water are $1.75 to $4.91 per bbl when transportation costs are included, with even higher rates in some regions. Our results suggest that treatment by an SMZ

  20. using stereochemistry models in teaching organic compounds ...

    African Journals Online (AJOL)

    Preferred Customer

    (ii) provide the students with basic knowledge in chemical concepts and ... ethanol, ethan-l-ol and ethyl alcohol in some textbooks and they are the same. ... Considering class level, what is the performance of the students in naming organic.

  1. Organic compounds in the urban dusts in Celje area

    Directory of Open Access Journals (Sweden)

    Gorazd Žibret

    2013-06-01

    Full Text Available This paper presents the results of the analysis of organic chemicals in different urban dusts. The aim of the researchis preliminary evaluation of the presence of organic contaminants in household dust, attic dust and streetsediment. Celje area has been chosen as a pilot study site due to availability of sampling materials from previoussampling campaigns. Samples have been tested to the presence of 120 organic compounds. Attic dust contains 98different organic compounds or 82 % of all measured. Terpenoids, alkylbenzenes and different Polycyclic AromaticHydrocarbons (PAH’s, as well as plasticizers, halogenated compounds (among them also PCB’s and pesticides(DDT and degradation products can be found there. It also contains all of the in this study analysed US-EPA prioritypollutants. Street dust contained 70 different organic chemicals (58 %, among them 14 priority pollutants. Tracesof aliphatic organic compounds, PAH’s, aldehydes and ketones, esters, and plasticizers are found there. House dustcontains lowest number of organic compounds. Among 45 detected (38 % of total measured, 8 are priority pollutants.Aliphatic compounds, alkylbenzenes, aldehides, ketones, acids and PAH’s can be found there. Current numberof analysed samples, as well as only qualitative evaluations were made does not allow making any solid interpretationof obtained results in regarding to the potential sources of chemicals or potential environmental hazards. Thisstudy can thus be used only as a guideline for future studies of organic chemicals in urban dusts.

  2. Binary systems solubilities of inorganic and organic compounds

    CERN Document Server

    Stephen, H

    1963-01-01

    Solubilities of Inorganic and Organic Compounds, Volume 1: Binary Systems, Part 1 is part of an approximately 5,500-page manual containing a selection from the International Chemical Literature on the Solubilities of Elements, Inorganic Compounds, Metallo-organic and Organic Compounds in Binary, Ternary and Multi-component Systems. A careful survey of the literature in all languages by a panel of scientists specially appointed for the task by the U.S.S.R. Academy of Sciences, Moscow, has made the compilation of this work possible. The complete English edition in five separately bound volumes w

  3. Organic compounds in hydraulic fracturing fluids and wastewaters: A review.

    Science.gov (United States)

    Luek, Jenna L; Gonsior, Michael

    2017-10-15

    High volume hydraulic fracturing (HVHF) of shale to stimulate the release of natural gas produces a large quantity of wastewater in the form of flowback fluids and produced water. These wastewaters are highly variable in their composition and contain a mixture of fracturing fluid additives, geogenic inorganic and organic substances, and transformation products. The qualitative and quantitative analyses of organic compounds identified in HVHF fluids, flowback fluids, and produced waters are reviewed here to communicate knowledge gaps that exist in the composition of HVHF wastewaters. In general, analyses of organic compounds have focused on those amenable to gas chromatography, focusing on volatile and semi-volatile oil and gas compounds. Studies of more polar and non-volatile organic compounds have been limited by a lack of knowledge of what compounds may be present as well as quantitative methods and standards available for analyzing these complex mixtures. Liquid chromatography paired with high-resolution mass spectrometry has been used to investigate a number of additives and will be a key tool to further research on transformation products that are increasingly solubilized through physical, chemical, and biological processes in situ and during environmental contamination events. Diverse treatments have been tested and applied to HVHF wastewaters but limited information has been published on the quantitative removal of individual organic compounds. This review focuses on recently published information on organic compounds identified in flowback fluids and produced waters from HVHF. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Synthesis of fluorinated organic compounds using oxygen difluoride

    Science.gov (United States)

    Toy, M. S.

    1971-01-01

    Oxygen difluoride synthesis is a much simpler, higher-yield procedure than reactions originally followed to synthesize various fluorinated organic compounds. Extreme care is taken in working with oxygen difluoride as its reactions present severe explosion hazard.

  5. Volatile and semivolatile organic compounds in laboratory peat fire emissions

    Data.gov (United States)

    U.S. Environmental Protection Agency — Supporting information Tables S3 and S4 list emission factors in g/kg of speciated volatile and particulate organic compounds emitted from peat burning. Peat samples...

  6. Investigations on organogermanium compounds XII. Reactions of trialkylgermylalkalimetal compounds in hexamethylphosphoric triamide (HMPT) with some inorganic and organic compounds

    NARCIS (Netherlands)

    Bulten, E.J.; Noltes, J.G.

    1971-01-01

    Trialkylgermyl alkali metal compounds in HMPT have been found to be highly reactive nucleophiles. Reactions with some inorganic and organic compounds, such as oxygen, carbon dioxide, inorganic and orgaanic halides, aldehydes, ketones, epoxides and lactones are described. Several new carbon-functiona

  7. Predicting the emission of volatile organic compounds from silage systems

    Science.gov (United States)

    As a precursor to smog, emission of volatile organic compounds (VOCs) to the atmosphere is an environmental concern in some regions. The major VOC emission source from farms is silage, with emissions coming from the silo face, mixing wagon, and feed bunk. The major compounds emitted are alcohols wit...

  8. Fluctuation capture in non-polar gases and liquids

    CERN Document Server

    Cocks, D G

    2016-01-01

    We present a new model to identify natural fluctuations in fluids, allowing us to describe localization phenomena in the transport of electrons, positrons and positronium through non-polar fluids. The theory contains no free parameters and allows for the calculation of capture cross sections $\\sigma_{cap}(\\epsilon)$ of light-particles in any non-polar fluid, required for non-equilibrium transport simulations. We postulate that localization occurs through large shallow traps before stable bound states are formed. Our results allow us to explain most of the experimental observations of changes in mobility and annihilation rates in the noble gases and liquids as well as make predictions for future experiments. Quantities which are currently inaccessible to experiment, such as positron mobilities, can be obtained from our theory. Unlike other theoretical approaches to localization, the outputs of our theory can be applied in non-equilibrium transport simulations and an extension to the determination of waiting ti...

  9. Molecular and Enantiomeric Analysis of Organic Compounds in Carbonaceous Meteorites

    Science.gov (United States)

    Cooper, George

    2003-01-01

    Carbonaceous meteorites are relatively enriched in carbon. Much of this carbon is in the form of soluble organic compounds. The Murchison and Murray meteorites are the best-characterized carbonaceous meteorites with respect to organic chemistry. Their content of organic compounds has led to an initial understanding of early solar system organic chemistry as well as what compounds may have played a role in the origin of life (Cronin and Chang, 1993). Reported compounds include: amino acids, amides, carboxylic acids, sulfonic acids, and polyols. This talk will focus on the molecular and enantiomeric analysis of individual meteoritic compounds: polyol acids; and a newly identified class of meteorite compounds, keto acids, i.e., acetoacetic acid, levulinic acid, etc. Keto acids (including pyruvic) are critically important in all contemporary organisms. They are key intermediates in metabolism and processes such as the citric acid cycle. Using gas chromatography-mass spectrometry we identified individual meteoritic keto acids after derivatization to one or more of the following forms: isopropyl ester (ISP), trimethyIsiIy1 (TMS), tert-butyldimethylsilyl (BDMS). Ongoing analyses will determine if, in addition to certain amino acids from Murchison (Cronin and Pizzarello, 1997), other potentially important prebiotic compounds also contain enantiomeric excesses, i.e., excesses that could have contributed to the current homochirality of life.

  10. Total volatile organic compounds (TVOC) in indoor air quality investigations

    DEFF Research Database (Denmark)

    Mølhave, L.; Clausen, Geo; Berglund, B.

    1997-01-01

    The amount of volatile organic compounds (VOCs) in indoor air, usually called TVOC (total volatile organic compounds), has been measured using different definitions and techniques which yield different results. This report recommends a definition of TVOC referring to a specified range of VOCs...... for characterizing indoor pollution and for improving source control as required from the points of view of health, comfort, energy efficiency and sustainability. (C) Indoor Air (1997)....

  11. Metal organic frameworks for removal of compounds from a fluid

    KAUST Repository

    Eddaoudi, Mohamed

    2016-03-03

    Embodiments provide a method of compound removal from a fluid. The method includes contacting one or more metal organic framework (MOF) compositions with a fluid and sorbing one or more compounds, such as CO2, H2S and condensable hydrocarbons. One or more of CO2, H2S and condensable hydrocarbons can be sorbed simultaneously or in series. The metal organic framework can be an M-soc-MOF.

  12. Thermodynamic properties of organic compounds estimation methods, principles and practice

    CERN Document Server

    Janz, George J

    1967-01-01

    Thermodynamic Properties of Organic Compounds: Estimation Methods, Principles and Practice, Revised Edition focuses on the progression of practical methods in computing the thermodynamic characteristics of organic compounds. Divided into two parts with eight chapters, the book concentrates first on the methods of estimation. Topics presented are statistical and combined thermodynamic functions; free energy change and equilibrium conversions; and estimation of thermodynamic properties. The next discussions focus on the thermodynamic properties of simple polyatomic systems by statistical the

  13. An investigation of recalcitrant organic compounds in leachates

    OpenAIRE

    2009-01-01

    Recalcitrant organic compounds remain a key challenge in landfill leachate management as they are resistant to microbial degradation and have potential to damage the water environment. Conventional leachate characterisation methods are time consuming and limited by their inability to provide compositional analysis. This research therefore investigates the characteristics of recalcitrant organic compounds in leachates and undertakes a feasibility study of the possible use of UV absorption and ...

  14. Detection of Organic Compounds with Whole-Cell Bioluminescent Bioassays

    OpenAIRE

    Xu, Tingting; Close, Dan; Smartt, Abby; Ripp, Steven; Sayler, Gary

    2014-01-01

    Natural and manmade organic chemicals are widely deposited across a diverse range of ecosystems including air, surface water, groundwater, wastewater, soil, sediment, and marine environments. Some organic compounds, despite their industrial values, are toxic to living organisms and pose significant health risks to humans and wildlife. Detection and monitoring of these organic pollutants in environmental matrices therefore is of great interest and need for remediation and health risk assessmen...

  15. Algae form brominated organic compounds in surface waters

    Energy Technology Data Exchange (ETDEWEB)

    Huetteroth, A.; Putschew, A.; Jekel, M. [Tech. Univ. Berlin (Germany)

    2004-09-15

    Monitoring of organic halogen compounds, measured as adsorbable organic bromine (AOBr) revealed seasonal high concentrations of organic bromine compounds in a surface water (Lake Tegel, Berlin, Germany). Usually, in late summer, concentrations are up to five times higher than during the rest of the year. The AOBr of the lake inflows (throughout the year less then 6 {mu}g/L) were always lower then those in the lake, which indicates a production of AOBr in the lake. A correlation of the AOBr and chlorophyll-a concentration (1) in the lake provides first evidence for the influence of phototrophic organisms. The knowledge of the natural production of organohalogens is relatively recent. Up to now there are more then 3800 identified natural organohalogen compounds that have been detected in marine plants, animals, and bacteria and also in terrestrial plants, fungi, lichen, bacteria, insects, some higher animals, and humans. Halogenated organic compounds are commonly considered to be of anthropogenic origin; derived from e.g. pharmaceuticals, herbicides, fungicides, insecticides, flame retardants, intermediates in organic synthesis and solvents. Additionally they are also produced as by-products during industrial processes and by waste water and drinking water disinfection. Organohalogen compounds may be toxic, persistent and/or carcinogenic. In order to understand the source and environmental relevance of naturally produced organobromine compounds in surface waters, the mechanism of the formation was investigated using batch tests with lake water and algae cultures.

  16. Thermodynamics of Organic Compound Alteration in Hydrothermal Systems

    Science.gov (United States)

    Shock, E. L.

    2005-12-01

    Organic compounds enter hydrothermal systems through infiltrating surface waters, zones of microbial productivity in the subsurface, extracts of organic matter in surrounding host rocks, and abiotic synthesis. Owing to variations in pH, oxidation state, composition, temperature, and pressure throughout the changing pathways of fluid migration over the duration of the system, organic compounds from all of these sources are introduced to conditions where their relative stabilities and reactivities can be dramatically transformed. If those transformations were predictable, then the extent to which organic alteration reactions have occurred could be used to reveal flowpaths and histories of hydrothermal systems. Speciation and mass transfer calculations permit some insight into the underlying thermodynamic driving forces that result in organic compound alteration. As an example, the speciation of many geochemist's canonical organic matter: CH2O depends strongly on oxidation state, temperature, and total concentration of dissolved organic matter. Calculations show that at oxidation states buffered by iron-bearing mineral assemblages, organic acids dominate the speciation of CH2O throughout hydrothermal systems, with acetic acid (itself equivalent to 2 CH2O by bulk composition) and propanoic acid generally the most abundant compounds. However, at more reduced conditions, which may prevail in organic-rich iron-poor sediments, the drive is to form ketones and especially alcohols at the expense of organic acids. The distribution of organic carbon among the various members of these compound classes is strongly dependent on the total concentration of dissolved organic matter. As an example, at a bulk concentration equivalent to average dissolved organic matter in seawater (45μm), the dominant alcohols at 100°C are small compounds like ethanol and 1-propanol. In contrast, at a higher bulk concentration of 500μm, there is a drive to shift large percentages of dissolved

  17. Sorption of Organic Compounds in Soil Organic Matter

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Soil organic matter (SOM)is the predominant component for sorption of hydrophobic organic compouds in soil and sorption by SOM ultimately affects chemical fate and availability in soil ,and the degree of remedia tion success of contaminated soils. This paper summarizes the latest development on sorption of organic com pounds in soil (natural) organic matter, addresses four sorption mechanisms: surface adsorption, solid - phase partitioning,dual-mode sorption,and fixed-pore sorption model ,and presents future research directions as well.

  18. CARBOXYLESTERASES IN ENANTIOSELECTIVE SYNTHESIS OF ORGANIC COMPOUNDS

    Directory of Open Access Journals (Sweden)

    E. A. Shesterenko

    2013-02-01

    Full Text Available The classification, structure, and mechanism of catalytic action of carboxylesterase of different origin are presented in the review. The prospects of carboxylesterases application for metabolism and both several drugs and prodrugs activation investigation in vitro are shown. The enzyme usage as biocatalyst of stereoselective hydrolysis and synthesis of a wide range of acyclic, carbocyclic and heterocyclic compounds — esters are also urgent. It was established that enantiomers obtainable with the help of carboxylesterase are characterized by high chemical yields and optical purity; immobilization on different supports stabilizes the enzyme and allows the repeated usage of obtained biocatalysts. The own studies conducted and the enzymatic hydrolysis features of news 3-acylhydroxy-1,4-benzodiasepin-2-ones — potential anxiolytic and hypnotic means, with a help of pig liver microsomal fraction carboxylesterase have been established. For the first time the enantioselective hydrolysis of 3-acetoxy-7-bromo-1-methyl-5-phenyl-1,2-dihydro-3H-1,4-benzdiazepine-2-one was accomplished using free and immobilized in phyllophorine and alginate, stabilized by Ca2+ microsomal fraction. The S-enantiomer of substrate was isolated, which suggests the increased specificity of pig liver microsomal fraction carboxylesterase to its R-enantiomer.

  19. Rejection of trace organic compounds by high-pressure membranes.

    Science.gov (United States)

    Kim, T U; Amy, G; Drewes, J E

    2005-01-01

    High-pressure membranes, encompassing reverse osmosis (RO), nanofiltration (NF), and low-pressure RO, may provide an effective treatment barrier for trace organic compounds including disinfection by-products (DBPs), pesticides, solvents, endocrine disrupting compounds (EDCs) and pharmaceutically active compounds (PhACs). The objective is to develop a mechanistic understanding of the rejection of trace organic compounds by high-pressure membranes, based on an integrated framework of compound properties, membrane properties, and operational conditions. Eight trace organic compounds, four DBPs and four chlorinated (halogenated) solvents, are being emphasized during an initial study, based on considerations of compound properties, occurrence, and health effects (regulations). Four polyamide FilmTec membranes; three reverse osmosis/RO (BW-400, LE-440, XLE-440) and one nanofiltration/NF (NF-90); are being characterized according to pure water permeability (PWP), molecular weight cutoff (MWCO), hydrophobicity (contact angle), and surface charge (zeta potential). It is noteworthy that rejections of compounds of intermediate hydrophobicity by the candidate membranes were observed to be less than salt rejections reported for these membranes, suggesting that transport of these solutes through these membranes is facilitated by solute-membrane interactions. We are continuing with diffusion cell measurements to describe solute-membrane interactions by estimation of diffusion coefficients through membranes pores, either hindered or facilitated.

  20. Environmental Transport and Fate Process Descriptors for Propellant Compounds

    Science.gov (United States)

    2006-06-01

    partition coefficients and water solubilities of phthalate esters. Journal of Chemical Engineering Data 44(6): 1414-1418. Englehardt, G., and P. R...Tuschall. 1990. Determination of vapor pressures for non-polar and semipolar organic compounds from gas chromatographic retention data. Journal of Chemical Engineering Data 35

  1. Recent advances in trifluoromethylation of organic compounds using Umemoto's reagents.

    Science.gov (United States)

    Zhang, Cai

    2014-09-14

    The incorporation of fluorine-containing moieties into organic compounds is of great importance in pharmaceutical, agricultural, and materials science. Within these organofluorides, the trifluoromethyl group is one of the most important motifs. In recent years, the trifluoromethyl group has attracted more and more attention, and many trifluoromethylated compounds have been found to possess special activities. However, until now, only a few methods have been developed to achieve this efficiently using Umemoto's reagents. This review highlights recent developments in the direct introduction of a trifluoromethyl group into organic compounds with Umemoto's reagents. Seven approaches to the trifluoromethylation of organic compounds are summarized: (i) trifluoromethylation of arenes, (ii) trifluoromethylation of alkenes, (iii) trifluoromethylation of terminal alkynes, (iv) deoxygenative trifluoromethylation of benzylic xanthates, (v) trifluoromethylation of ketoesters, (vi) trifluoromethylation of aryl boronic acids and aromatic amines (synthesis of ArCF3) and (vii) trifluoromethylation of biphenyl isocyanide derivatives.

  2. New Aspects of Zirconium Containing Organic Compounds

    Science.gov (United States)

    Marek, Ilan

    Metal carbene complexes have made their way from organometallic curiosities to valuable reagents and catalysts. They offer novel synthetic opportunities in carbon-carbon bond formation based on either carbene-centered reactions or on metal-templated processes which makes them indispensable in modern synthetic methodology. The most prominent metal carbenes are now either commercially available or easy to synthesize and handle with modern laboratory techniques. This volume organized in eight chapters written by the leading scientists in the field illustrates the theoretical background, non-classical nucleophilic and cycloaddition patterns, chromium-templated benzannulation and photo-induced reactions, rhodium-catalyzed carbene transfer as well as the principles and applications of olefin metathesis which has coined the progress in synthetic methodology over the past decade.

  3. Predicting crystal structures of organic compounds.

    Science.gov (United States)

    Price, Sarah L

    2014-04-07

    Currently, organic crystal structure prediction (CSP) methods are based on searching for the most thermodynamically stable crystal structure, making various approximations in evaluating the crystal energy. The most stable (global minimum) structure provides a prediction of an experimental crystal structure. However, depending on the specific molecule, there may be other structures which are very close in energy. In this case, the other structures on the crystal energy landscape may be polymorphs, components of static or dynamic disorder in observed structures, or there may be no route to nucleating and growing these structures. A major reason for performing CSP studies is as a complement to solid form screening to see which alternative packings to the known polymorphs are thermodynamically feasible.

  4. Scaffold of Asymmetric Organic Compounds - Magnetite Plaquettes

    Science.gov (United States)

    Chan, Q. H. S.; Zolensky, M. E.; Martinez, J.

    2015-01-01

    Life on Earth shows preference towards the set of organics with particular spatial configurations, this 'selectivity' is a crucial criterion for life. With only rare exceptions, life prefers the left- (L-) form over the right- (D-) form of amino acids, resulting in an L-enantiomeric excess (L-ee). Recent studies have shown Lee for alpha-methyl amino acids in some chondrites. Since these amino acids have limited terrestrial occurrence, the origin of their stereoselectivity is nonbiological, and it seems appropriate to conclude that chiral asymmetry, the molecular characteristic that is common to all terrestrial life form, has an abiotic origin. A possible abiotic mechanism that can produce chiral asymmetry in meteoritic amino acids is their formation with the presence of asymmetric catalysts, as mineral crystallization can produce spatially asymmetric structures. Magnetite is shown to be an effective catalyst for the formation of amino acids that are commonly found in chondrites. Magnetite 'plaquettes' (or 'platelets'), first described by Jedwab, show an interesting morphology of barrel-shaped stacks of magnetite disks with an apparent dislocation-induced spiral growth that seem to be connected at the center. A recent study by Singh et al. has shown that magnetites can self-assemble into helical superstructures. Such molecular asymmetry could be inherited by adsorbed organic molecules. In order to understand the distribution of 'spiral' magnetites in different meteorite classes, as well as to investigate their apparent spiral configurations and possible correlation to molecular asymmetry, we observed polished sections of carbonaceous chondrites (CC) using scanning electron microscope (SEM) imaging. The sections were also studied by electron backscattered diffraction (EBSD) in order to reconstruct the crystal orientation along the stack of magnetite disks.

  5. 40 CFR 60.432 - Standard for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standard for volatile organic compounds. 60.432 Section 60.432 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR... Graphic Arts Industry: Publication Rotogravure Printing § 60.432 Standard for volatile organic...

  6. Volatile and semivolatile organic compounds in laboratory peat fire emissions

    Science.gov (United States)

    Speciated volatile organic compounds (VOCs) and organic fine particulate matter (PM2.5) mass emission factors were determined from laboratory peat fire experiments. Peat samples originated from two wildlife reserves located near the coast of North Carolina, U.S. Gas and particula...

  7. BIOCONCENTRATION FACTORS FOR VOLATILE ORGANIC COMPOUNDS IN VEGETATION

    Science.gov (United States)

    Samples of air and leaves were taken at the University of Nevada-Las Vegas campus and analyzed for volatile organic compounds using vacuum distillation coupled with gas chromatography/mass spectrometry. The data were used to estimate the bioconcentration of volatile organic compo...

  8. Origins, fates, and ramifications of natural organic compounds of wetlands

    Science.gov (United States)

    Robert G. Wetzel

    2000-01-01

    Much of the organic carbon for heterotrophic metabolism in aquatic ecosystems is soluble and derived from structural compounds of higher plants of terrestrial and wetland-littoral sources of both lake and river ecosystems. The chemical recalcitrance of this organic matter and its oxidative utilization are fundamentally different from many sources within the aquatic...

  9. Can volatile organic compounds be markers of sea salt?

    Science.gov (United States)

    Silva, Isabel; Coimbra, Manuel A; Barros, António S; Marriott, Philip J; Rocha, Sílvia M

    2015-02-15

    Sea salt is a handmade food product that is obtained by evaporation of seawater in saltpans. During the crystallisation process, organic compounds from surroundings can be incorporated into sea salt crystals. The aim of this study is to search for potential volatile markers of sea salt. Thus, sea salts from seven north-east Atlantic Ocean locations (France, Portugal, Continental Spain, Canary Islands, and Cape Verde) were analysed by headspace solid-phase microextraction combined with comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry. A total of 165 compounds were detected, ranging from 32 to 71 compounds per salt. The volatile composition revealed the variability and individuality of each salt, and a set of ten compounds were detected in all samples. From these, seven are carotenoid-derived compounds that can be associated with the typical natural surroundings of ocean hypersaline environment. These ten compounds are proposed as potential volatile markers of sea salt.

  10. Use of Bromine and Bromo-Organic Compounds in Organic Synthesis.

    Science.gov (United States)

    Saikia, Indranirekha; Borah, Arun Jyoti; Phukan, Prodeep

    2016-06-22

    Bromination is one of the most important transformations in organic synthesis and can be carried out using bromine and many other bromo compounds. Use of molecular bromine in organic synthesis is well-known. However, due to the hazardous nature of bromine, enormous growth has been witnessed in the past several decades for the development of solid bromine carriers. This review outlines the use of bromine and different bromo-organic compounds in organic synthesis. The applications of bromine, a total of 107 bromo-organic compounds, 11 other brominating agents, and a few natural bromine sources were incorporated. The scope of these reagents for various organic transformations such as bromination, cohalogenation, oxidation, cyclization, ring-opening reactions, substitution, rearrangement, hydrolysis, catalysis, etc. has been described briefly to highlight important aspects of the bromo-organic compounds in organic synthesis.

  11. Well-purging criteria for sampling purgeable organic compounds

    Science.gov (United States)

    Gibs, J.; Imbrigiotta, T.E.

    1990-01-01

    The results indicate that 1) purgeable organic compound concentrations stabilized when three casing volume were purged in only 55% of the cases evaluated in this study, 2) purgeable organic compounds concentrations did not consistently follow the temporal variation of, nor stabilize at the same time as, the measure field characteristics, and 3) purging to achieve hydraulic equilibrium between casing and aquifer water consistently underestimated the time and casing volumes needed to achieve stable values of water-quality measurements in highly transmissive aquifers. The conclusion from these data is that none of the previously recommended criteria for purging a well can be applied reliably to collecting a "representative' sample of purgeable organic compounds. These results indicate that the criteria for purging a well prior to sampling for purgeable organic compounds must take into account other factors, such as the unique hydrogeologic characteristics of a site, the nature and extent of purgeable organic compounds present, and areal extent of the contamination, the well construction, and the sampling objectives of the investigation. -from Authors

  12. Improving rubber concrete by waste organic sulfur compounds.

    Science.gov (United States)

    Chou, Liang-Hisng; Lin, Chun-Nan; Lu, Chun-Ku; Lee, Cheng-Haw; Lee, Maw-Tien

    2010-01-01

    In this study, the use of crumb tyres as additives to concrete was investigated. For some time, researchers have been studying the physical properties of concrete to determine why the inclusion of rubber particles causes the concrete to degrade. Several methods have been developed to improve the bonding between rubber particles and cement hydration products (C-S-H) with the hope of creating a product with an improvement in mechanical strength. In this study, the crumb tyres were treated with waste organic sulfur compounds from a petroleum refining factory in order to modify their surface properties. Organic sulfur compounds with amphiphilic properties can enhance the hydrophilic properties of the rubber and increase the intermolecular interaction forces between rubber and C-S-H. In the present study, a colloid probe of C-S-H was prepared to measure these intermolecular interaction forces by utilizing an atomic force microscope. Experimental results showed that rubber particles treated with waste organic sulfur compounds became more hydrophilic. In addition, the intermolecular interaction forces increased with the adsorption of waste organic sulfur compounds on the surface of the rubber particles. The compressive, tensile and flexural strengths of concrete samples that included rubber particles treated with organic sulfur compound also increased significantly.

  13. 76 FR 18893 - Approval and Promulgation of Air Quality Implementation Plans; Ohio; Volatile Organic Compound...

    Science.gov (United States)

    2011-04-06

    ... Organic Compound Emission Control Measures for Lithographic and Letterpress Printing in Cleveland AGENCY... volatile organic compound (VOC) rule. These rule revisions specify compliance dates for subject facilities... approved offset lithographic and letterpress printing volatile organic compound (VOC) rule for...

  14. 76 FR 4835 - Approval and Promulgation of Air Quality Implementation Plans; Ohio; Volatile Organic Compound...

    Science.gov (United States)

    2011-01-27

    ... Organic Compound Reinforced Plastics Composites Production Operations Rule AGENCY: Environmental... control of volatile organic compound (VOC) emissions from reinforced plastic composites production..., Volatile organic compounds. Dated: January 14, 2011. Susan Hedman, Regional Administrator, Region...

  15. 76 FR 41086 - Approval and Promulgation of Air Quality Implementation Plans; Ohio; Volatile Organic Compound...

    Science.gov (United States)

    2011-07-13

    ... Organic Compound Reinforced Plastic Composites Production Operations Rule AGENCY: Environmental Protection...) a new rule for the control of volatile organic compound (VOC) emissions from reinforced plastic..., Reporting and recordkeeping requirements, Volatile organic compounds. Dated: June 24, 2011. Susan...

  16. Solvent density mode instability in non-polar solutions

    Indian Academy of Sciences (India)

    Susmita Kar; Ranjit Biswas; J Chakrabarti

    2008-08-01

    We analyse the origin of the multiple long time scales associated with the long time decay observed in non-polar solvation dynamics by linear stability analysis of solvent density modes where the effects of compressibility and solvent structure are systematically incorporated. The coupling of the solute–solvent interactions at both ground and excited states of the solute with the compressibility and solvent structure is found to have important effects on the time scales. The present theory suggests that the relatively longer time constant is controlled by the solvent compressibility, while the solvent structure at the nearest-neighbour length scale dominates the shorter time constant.

  17. Photonic Crystal Polarizing and Non-Polarizing Beam Splitters

    Institute of Scientific and Technical Information of China (English)

    GUAN Chun-Ying; SHI Jin-Hui; YUAN Li-Bo

    2008-01-01

    A polarizing beam splitter(PBS)and a non-polarizing beam splitter(NPBS)based on a photonic crystal(PC)directional coupler are demonstrated.The photonic crystal directional coupler consists of a hexagonal lattice of dielectric pillars in air and has a complete photonic band gap.The photonic band structure and the band gap map are calculated using the plane wave expansion(PWE)method.The splitting properties of the splitter are investigated numerically using the finite difference time domain(FDTD)method.

  18. Methods in plant foliar volatile organic compounds research 1

    OpenAIRE

    Materić, Dušan; Bruhn, Dan; Turner, Claire; Morgan, Geraint; Mason, Nigel J.; Gauci, Vincent

    2015-01-01

    Plants are a major atmospheric source of volatile organic compounds (VOCs). These secondary metabolic products protect plants from high-temperature stress, mediate in plant–plant and plant–insect communication, and affect our climate globally. The main challenges in plant foliar VOC research are accurate sampling, the inherent reactivity of some VOC compounds that makes them hard to detect directly, and their low concentrations. Plant VOC research relies on analytical techniques for trace gas...

  19. Are Some Fungal Volatile Organic Compounds (VOCs) Mycotoxins?

    OpenAIRE

    Bennett, Joan W.; Arati A. Inamdar

    2015-01-01

    Volatile organic compounds (VOCs) are carbon-compounds that easily evaporate at room temperature. Toxins are biologically produced poisons; mycotoxins are those toxins produced by microscopic fungi. All fungi emit blends of VOCs; the qualitative and quantitative composition of these volatile blends varies with the species of fungus and the environmental situation in which the fungus is grown. These fungal VOCs, produced as mixtures of alcohols, aldehydes, acids, ethers, esters, ketones, terpe...

  20. Measurement of volatile organic compounds in human blood.

    OpenAIRE

    Ashley, D L; Bonin, M A; Cardinali, F L; McCraw, J. M.; Wooten, J V

    1996-01-01

    Volatile organic compounds (VOCs) are an important public health problem throughout the developed world. Many important questions remain to be addressed in assessing exposure to these compounds. Because they are ubiquitous and highly volatile, special techniques must be applied in the analytical determination of VOCs. The analytical methodology chosen to measure toxicants in biological materials must be well validated and carefully carried out; poor quality assurance can lead to invalid resul...

  1. Volatile and semivolatile organic compounds in laboratory peat fire emissions

    Science.gov (United States)

    George, Ingrid J.; Black, Robert R.; Geron, Chris D.; Aurell, Johanna; Hays, Michael D.; Preston, William T.; Gullett, Brian K.

    2016-05-01

    In this study, volatile and semi-volatile organic compound (VOCs and SVOCs) mass emission factors were determined from laboratory peat fire experiments. The peat samples originated from two National Wildlife Refuges on the coastal plain of North Carolina, U.S.A. Gas- and particle-phase organic compounds were quantified by gas chromatography-mass spectrometry and by high pressure liquid chromatography. Hazardous air pollutants (HAPs) accounted for a large fraction (∼60%) of the speciated VOC emissions from peat burning, including large contributions of acetaldehyde, formaldehyde, benzene, toluene, and chloromethane. In the fine particle mass (PM2.5), the following organic compound classes were dominant: organic acids, levoglucosan, n-alkanes, and n-alkenes. Emission factors for the organic acids in PM2.5 including n-alkanoic acids, n-alkenoic acids, n-alkanedioic acids, and aromatic acids were reported for the first time for peat burning, representing the largest fraction of organic carbon (OC) mass (11-12%) of all speciated compound classes measured in this work. Levoglucosan contributed to 2-3% of the OC mass, while methoxyphenols represented 0.2-0.3% of the OC mass on a carbon mass basis. Retene was the most abundant particulate phase polycyclic aromatic hydrocarbon (PAH). Total HAP VOC and particulate PAH emissions from a 2008 peat wildfire in North Carolina were estimated, suggesting that peat fires can contribute a large fraction of state-wide HAP emissions.

  2. Isolation and preconcentration of volatile organic compounds from water; Review

    Energy Technology Data Exchange (ETDEWEB)

    Namiesnik, J.; Gorecki, T.; Biziuk, M.; Torres, L. (Technical Univ. of Gdansk (Poland) Ecole Nationale Superieure de Chimie, Toulouse (France))

    1990-10-01

    Methods for the isolation and/or concentration of volatile organic compounds from water samples for trace organic analysis by gas chromatography are reviewed. The following basic groups of methods are discussed: liquid-liquid extraction, adsorption on solid sorbents, extraction with gas (gas stripping and static and dynamic headspace techniques) and membrane processes. The theoretical bases of these methods are discussed. Experimental arrangements for the isolation and/or concentration of volatile compounds from water are presented and discussed with respect to their efficiency. The applicability of the described methods to the isolation and/or concentration of various organic compounds from waters of various origins is discussed. 26 figs., 7 tabs., 695 refs.

  3. Synthesis of Organic Compounds over Selected Types of Catalysts

    Directory of Open Access Journals (Sweden)

    Omar Mohamed Saad Ismail

    2011-05-01

    Full Text Available This study provides an overview for the utilization of different catalytic material in the synthesis of organic compounds for important reactions such as heck reaction, aldol reaction, Diels- Alder and other reactions. Comparisons between multiple catalysts for the same reaction and justifications for developing new catalyzed materials are discussed. The following topics are introduced in this work; (1 solid base catalysts, (2 clay catalysts, (3 palladium catalysts, and (4 catalysts to produce organic compound from CO2. The features of these catalysts a long with the conjugated reactions and their selectivity are explained in details, also, some alternatives for toxic or polluting catalysts used in industry are suggested.

  4. Simplified Production of Organic Compounds Containing High Enantiomer Excesses

    Science.gov (United States)

    Cooper, George W. (Inventor)

    2015-01-01

    The present invention is directed to a method for making an enantiomeric organic compound having a high amount of enantiomer excesses including the steps of a) providing an aqueous solution including an initial reactant and a catalyst; and b) subjecting said aqueous solution simultaneously to a magnetic field and photolysis radiation such that said photolysis radiation produces light rays that run substantially parallel or anti-parallel to the magnetic field passing through said aqueous solution, wherein said catalyst reacts with said initial reactant to form the enantiomeric organic compound having a high amount of enantiomer excesses.

  5. Volatile organic compounds and oxides of nitrogen. Further emission reductions

    Energy Technology Data Exchange (ETDEWEB)

    Froste, H. [comp.

    1996-12-31

    This report presents the current status in relation to achievement of the Swedish Environmental target set by Parliament to reduce emission of volatile organic compounds by 50 per cent between 1988 and 2000. It also instructed the Agency to formulate proposed measures to achieve a 50 per cent reduction of emission of nitrogen oxides between 1985 and 2005. The report presents an overall account of emission trends for volatile organic compounds (from all sectors) and nitrogen oxides (from the industry sector) and steps proposed to achieve further emission reductions. 43 refs

  6. Removal of organic pollutants by surfactant modified zeolite: Comparison between ionizable phenolic compounds and non-ionizable organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Jie; Meng, Wenna [School of Environmental Science and Engineering, Shanghai Jiao Tong University, No. 800, Dongchuan Rd., Shanghai 200240 (China); Wu, Deyi, E-mail: dywu@sjtu.edu.cn [School of Environmental Science and Engineering, Shanghai Jiao Tong University, No. 800, Dongchuan Rd., Shanghai 200240 (China); Zhang, Zhenjia; Kong, Hainan [School of Environmental Science and Engineering, Shanghai Jiao Tong University, No. 800, Dongchuan Rd., Shanghai 200240 (China)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer Surfactant modified zeolite could greatly retain organic pollutants. Black-Right-Pointing-Pointer Uptake of organic compounds was due to the loaded surfactant. Black-Right-Pointing-Pointer k{sub ow} is crucial for the uptake of both ionizable and non-ionizable organic solutes. Black-Right-Pointing-Pointer pK{sub a} is another factor affecting adsorption process of ionizable organic pollutants. Black-Right-Pointing-Pointer Adsorption mechanisms of the two kinds of organic pollutants were proposed. - Abstract: The aim of this study was to examine the adsorption capability and mechanism of hexadecyltrimethylammonium modified zeolite, which was synthesized from coal fly ash, for the removal of ionizable phenolic compounds (phenol, p-chlorophenol and bisphenol A, with different pK{sub a}) and non-ionizable organic compounds (aniline, nitrobenzene, and naphthalene, with different hydrophobicity). The obtained zeolite was identified as type Na-P1 (Na{sub 6}Al{sub 6}Si{sub 10}O{sub 32}{center_dot}12H{sub 2}O, JCPDS code 39-0219), which is classified into the gismondine group with a pore size of 3.1 Angstrom-Sign Multiplication-Sign 4.5 Angstrom-Sign [1 0 0] and 2.8 Angstrom-Sign Multiplication-Sign 4.8 Angstrom-Sign [1 0 1]. The adsorption of the two kinds of organic compounds was due to loaded surfactant bilayer because modified zeolite showed great ability for the removal of organic chemicals while little adsorption by zeolite was observed. The isotherm data of ionizable compounds fitted well to the Langmuir model but those of non-ionizable chemicals followed a linear equation. Uptake of ionizable compounds depended greatly on pH, increasing at alkaline pH conditions. In contrary, adsorption of non-ionizable chemicals was essentially the same at all pH levels studied. The adsorption of both kinds of organic compounds correlated well to k{sub ow} value, suggesting that more hydrophobic organic contaminants are more easily retained

  7. Organic compounds inhibiting S. epidermidis adhesion and biofilm formation

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Zhiqiang [Department of Systems Biology, Technical University of Denmark, Dk-2800 Kgs. Lyngby (Denmark); Key Laboratory of Medical Molecular Virology of Ministry of Education and Public Health, Institute of Medical Microbiology and Institutes of Biomedical Science, Shanghai Medical School of Fudan University, Yi Xue Yuan Road 138, Shanghai 200032 (China); Division of Infectious Diseases, Department of Medicine, Hollings Cancer Center, Medical University of South Carolina, 86 Jonathan Lucas Street, Charleston, SC 29425 (United States); Zhang, Jingdong; Hu, Yifan; Chi, Qijin [Department of Chemistry, Building 207, NanoDTU, Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark); Mortensen, Ninell P. [Department of Systems Biology, Technical University of Denmark, Dk-2800 Kgs. Lyngby (Denmark); Department of Biochemistry and Cellular and Molecular Biology, University of Tennessee, Knoxville, TN 37932 (United States); Qu, Di [Key Laboratory of Medical Molecular Virology of Ministry of Education and Public Health, Institute of Medical Microbiology and Institutes of Biomedical Science, Shanghai Medical School of Fudan University, Yi Xue Yuan Road 138, Shanghai 200032 (China); Molin, Soren [Department of Systems Biology, Technical University of Denmark, Dk-2800 Kgs. Lyngby (Denmark); Ulstrup, Jens, E-mail: ju@kemi.dtu.dk [Department of Chemistry, Building 207, NanoDTU, Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark)

    2009-07-15

    The formation of biofilms on surfaces of indwelling medical devices is a serious medical problem. Staphylococcus epidermidis is a common pathogen found to colonize implanted devices and as a biofilm is more resistant to the host immune system as well as to antibiotic treatments. Combating S. epidermidis infections by preventing or eradicating biofilm formation of the bacterium is therefore a medically important challenge. We report here a study of biofilm formation of S. epidermidis on solid surfaces using a combination of confocal laser scanning (CLSM) and atomic force microscopy (AFM) in both air and aqueous environments. We have investigated the inhibitory effects of surfaces treated with four organic compounds, two benzoate derivatives denoted as compound 59 and 75 and two carboxamide derivatives denoted as compound 47 and 73, on S. epidermidis adhesion and biofilm formation. All four compounds evoke significant inhibitory effects on the formation of S. epidermidis biofilms with compounds 47 and 73 being most effective. None of the compounds were found to inhibit growth of S. epidermidis in liquid cultures. Bacteria attached to the substrate when exposed to the compounds were not affected indicating that these compounds inhibit initial adhesion. These results suggest a pretreatment for medically implanted surfaces that can prevent the biofilm formation and reduce infection.

  8. Removal of organic pollutants by surfactant modified zeolite: comparison between ionizable phenolic compounds and non-ionizable organic compounds.

    Science.gov (United States)

    Xie, Jie; Meng, Wenna; Wu, Deyi; Zhang, Zhenjia; Kong, Hainan

    2012-09-15

    The aim of this study was to examine the adsorption capability and mechanism of hexadecyltrimethylammonium modified zeolite, which was synthesized from coal fly ash, for the removal of ionizable phenolic compounds (phenol, p-chlorophenol and bisphenol A, with different pK(a)) and non-ionizable organic compounds (aniline, nitrobenzene, and naphthalene, with different hydrophobicity). The obtained zeolite was identified as type Na-P1 (Na(6)Al(6)Si(10)O(32)·12H(2)O, JCPDS code 39-0219), which is classified into the gismondine group with a pore size of 3.1 Å × 4.5 Å [100] and 2.8 Å × 4.8 Å [101]. The adsorption of the two kinds of organic compounds was due to loaded surfactant bilayer because modified zeolite showed great ability for the removal of organic chemicals while little adsorption by zeolite was observed. The isotherm data of ionizable compounds fitted well to the Langmuir model but those of non-ionizable chemicals followed a linear equation. Uptake of ionizable compounds depended greatly on pH, increasing at alkaline pH conditions. In contrary, adsorption of non-ionizable chemicals was essentially the same at all pH levels studied. The adsorption of both kinds of organic compounds correlated well to k(ow) value, suggesting that more hydrophobic organic contaminants are more easily retained by modified zeolite. Based on the different adsorption behavior, the uptake of non-ionizable pollutants was thought to be a single partitioning process into the surfactant bilayer. For ionizable compounds, however, interaction of the phenol group(s) with the positively charged "head" of surfactant additionally functions.

  9. Surface modification of inorganic layer compound with organic compound and preparation of thin films

    Science.gov (United States)

    Tagaya, Hideyuki; Morioka, Hiroyuki; Ogata, Sumikazu; Karasu, Masa; Kadokawa, Jun-ichi; Chiba, Koji

    1997-11-01

    Water treated Zn/Al layered double hydroxide (LDH) was prepared by the reaction of LDH oxide and water. By the reaction of the water treated Zn/Al LDH or amorphous metal hydroxide and organic oxychloride, surface modified inorganic layer compounds were prepared. Their layer structures were similar to those of the orginal LDHs except the reaction product of amorphous metal hydroxide and benzoyl chloride. Interlayer spacings of the reaction products were 0.77 to 2.67 nm depending on the size and number of function groups of organic compounds.

  10. Non-targeted analyses of organic compounds in urban wastewater.

    Science.gov (United States)

    Alves Filho, Elenilson G; Sartori, Luci; Silva, Lorena M A; Silva, Bianca F; Fadini, Pedro S; Soong, Ronald; Simpson, Andre; Ferreira, Antonio G

    2015-09-01

    A large number of organic pollutants that cause damage to the ecosystem and threaten human health are transported to wastewater treatment plants (WWTPs). The problems regarding water pollution in Latin America have been well documented, and there is no evidence of substantive efforts to change the situation. In the present work, two methods to study wastewater samples are employed: non-targeted 1D ((13)C and (1)H) and 2D NMR spectroscopic analysis to characterize the largest possible number of compounds from urban wastewater and analysis by HPLC-(UV/MS)-SPE-ASS-NMR to detect non-specific recalcitrant organic compounds in treated wastewater without the use of common standards. The set of data is composed of several compounds with the concentration ranging considerably with treatment and seasonality. An anomalous discharge, the influence of stormwater on the wastewater composition and the presence of recalcitrant compounds (linear alkylbenzene sulfonate surfactant homologs) in the effluent were further identified. The seasonal variations and abnormality in the composition of organic compounds in sewage indicated that the procedure that was employed can be useful in the identification of the pollution source and to enhance the effectiveness of WWTPs in designing preventive action to protect the equipment and preserve the environment.

  11. Analysis of Organic Compounds in Mars Analog Samples

    Science.gov (United States)

    Mahaffy, P. R.; Brinckerhoff, W. B.; Buch, A.; Cabane, M.; Coll, P.; Demick, J.; Glavin, D. P.

    2004-01-01

    The detailed characterization of organic compounds that might be preserved in rocks, ices, or sedimentary layers on Mars would be a significant step toward resolving the question of the habitability and potential for life on that planet. The fact that the Viking gas chromatograph mass spectrometer (GCMS) did not detect organic compounds should not discourage further investigations since (a) an oxidizing environment in the near surface fines analyzed by Viking is likely to have destroyed many reduced carbon species; (b) there are classes of refractory or partially oxidized species such as carboxylic acids that would not have been detected by the Viking GCMS; and (c) the Viking landing sites are not representative of Mars overall. These factors motivate the development of advanced in situ analytical protocols to carry out a comprehensive survey of organic compounds in martian regolith, ices, and rocks. We combine pyrolysis GCMS for analysis of volatile species, chemical derivatization for transformation of less volatile organics, and laser desorption mass spectrometry (LDMS) for analysis of elements and more refractory, higher-mass organics. To evaluate this approach and enable a comparison with other measurement techniques we analyze organics in Mars simulant samples.

  12. Organic compounds in atmospheric aerosols from a Finnish coniferous forest

    Energy Technology Data Exchange (ETDEWEB)

    Anttila, P.; Rissanen, T.; Shimmo, M.; Kallio, M.; Hyoetylaeinen, T.; Riekkola, M.L. [Laboratory of Analytical Chemistry, Department of Chemistry, University of Helsinki (Finland); Kulmala, M. [Department of Physical Sciences, University of Helsinki (Finland)

    2005-07-01

    Atmospheric aerosol particles were collected with a high-volume sampler in a Finnish coniferous forest during the field campaign Quantification of Aerosol Nucleation in the European Boundary Layer (QUEST) in March-April 2003. Four chromatographic techniques were applied to characterise the organic composition of the samples, and to study variations in the concentrations of identified compounds. Among the nearly 160 organic compounds identified were n-alkanes, nalkanals, n-alkan-2-ones, n- alkanols, n-alkanoic acids, n-alkenoic acids, dicarboxylic acids, polyaromatic hydrocarbons, hopanes, streranes, terpenes and terpenoids. The observed variations in the concentrations of certain compounds were mostly explained by ambient temperature. Comparison of days when atmospheric new particle formation took place with days when the formation did not occur, however, revealed higher concentrations of long-chain n- alkanes (> C{sub 22}) and < C{sub 18} n-alkanoic acids on the particle formation days. (orig.)

  13. Organic cage compounds--from shape-persistency to function.

    Science.gov (United States)

    Zhang, Gang; Mastalerz, Michael

    2014-03-21

    Defined cavities are found in biological systems, such as in enzymes to accelerate specific reactions with specific molecular targets, or as transport containers for molecular cargoes. Chemists have been inspired by those phenomena found in nature and synthesized defined cage compounds for different purposes, such as for stabilizing reactive intermediates, running reactions within the cavities or studying recognition events. However, most cage compounds are based on the coordination of metal ions, and only a few are charge neutral. Purely organic cages are usually charge neutral and more stable due to existing covalent bonds. Covalent bonds can be made in two ways, applying irreversible reactions or reversible reactions. By introducing dynamic covalent chemistry (DCC), cages have become accessible in good yields from rather simple precursors. Here, we compare both methods and highlight those that give very good yields. Furthermore, the use of organic cage compounds in sorption, recognition, sensing, separation and stabilization of molecules will be discussed.

  14. Influence of volatile organic compounds on Fusarium graminearum mycotoxin production

    Science.gov (United States)

    Volatile organic compounds (VOCs) are involved in a diverse range of ecological interactions. Due to their low molecular weight, lipophilic nature, and high vapor pressure at ambient temperatures, they can serve as airborne signaling molecules that are capable of mediating inter and intraspecies com...

  15. Volatile organic compounds of whole grain soft winter wheat

    Science.gov (United States)

    The aroma from volatile organic compounds (VOCs) is an indicator of grain soundness and also an important quality attribute of grain foods. To identify the inherent VOCs of wheat grain unaffected by fungal infestation and other extrinsic factors, grains of nine soft wheat varieties were collected at...

  16. Modeling emissions of volatile organic compounds from silage

    Science.gov (United States)

    Photochemical smog is a major air pollution problem and a significant cause of premature death in the U.S. Smog forms in the presence of volatile organic compounds (VOCs), which are emitted primarily from industry and motor vehicles in the U.S. However, dairy farms may be an important source in so...

  17. Adsorption of Compounds that Mimic Urban Stormwater Dissolved Organic Nitrogen.

    Science.gov (United States)

    Mohtadi, Mehrdad; James, Bruce R; Davis, Allen P

    2017-02-01

      Stormwater runoff carrying nitrogen can accelerate eutrophication. Bioretention facilities are among low impact development systems which are commonly used to manage urban stormwater quality and quantity. They are, however, not designed to remove dissolved organic nitrogen (DON) and may become a net DON exporter. Adsorption of seven organic nitrogenous compounds onto several adsorbents was examined. Batch adsorption study revealed that coal activated carbon (AC) exhibited the best performance in adsorption of the selected organic nitrogenous compounds. The highest adsorption capacity of coal AC was 0.4 mg N/g for pyrrole at an equilibrium concentration of 0.02 mg N/L, while adsorption was not detectable for urea at the same equilibrium concentration. The fastest compound to reach equilibrium adsorption capacity onto the coal AC was pyrrole (1 hour). The adsorption capacity of the coal AC for pyrrole and N-acetyl-d-glucosamine and 1-hour contact time is recommended for designing bioretention systems targeting organic nitrogenous compounds.

  18. Organochlorine pesticide compounds in organisms from the Bay of Bengal

    Digital Repository Service at National Institute of Oceanography (India)

    Shailaja, M.S.; Singbal, S.Y.S.

    in relation to the distribution of the compounds in different fish tissues, differences in the proportion of DDT and its metabolities DDW and DDD in the various organisms and the possible influence of suspended particulate matter on the availability of DDT...

  19. SOIL CONTAMINATION BY NITROGEN COMPOUNDS DURING ORGANIC FUEL COMBUSTION

    Directory of Open Access Journals (Sweden)

    V. P. Bubnov

    2010-01-01

    Full Text Available The paper considers a transition mechanism of flue gas nitrogen oxides being formed due to organic fuel combustion from atmosphere into soil. Mechanisms of nitrogen compound origination and transformation in atmosphere and their transition into soil have been presented in the paper. The paper recommends a generalized equation for mathematical description of nitrogen migration into soil. 

  20. Modeling organic compounds in the estuarine and coastal environment

    NARCIS (Netherlands)

    R.W.P.M. Laane; D. van de Meent; P. de Voogt; J. Parsons; J. Hendriks; J. van Gils

    2011-01-01

    This chapter describes the historical development and present applications of water-quality models for organic chemical compounds (e.g., polychlorinated biphenyls (PCBs) and polycyclic aromatic hydrocarbons (PAHs)). Various types of water-quality models are described, varying in the amount of compar

  1. Qualitative analysis of volatile organic compounds on biochar

    Science.gov (United States)

    Qualitative identification of sorbed volatile organic compounds (VOCs) on biochar was conducted by headspace thermal desorption coupled to capillary gas chromatographic-mass spectrometry. VOCs may have a mechanistic role influencing plant and microbial responses to biochar amendments, since VOCs ca...

  2. Atmospheric deposition of semivolatile organic compounds to plants

    NARCIS (Netherlands)

    Bakker, Martine Inez

    2000-01-01

    This thesis describes how the deposition of semivolatile organic compounds (SOCs) to plant surfaces is affected by the characteristics of the plant. From a literature review, it was concluded that differences between SOC concentrations in different plant species are often very small (< a factor

  3. Green chemistry principles in organic compound synthesis and analysis

    Directory of Open Access Journals (Sweden)

    Ruchi Verma

    2014-03-01

    Full Text Available The present review focus on various green chemistry approaches which could be utilized in the organic compounds in practical classes for undergraduate level in comparison of conventional methods. These methods avoid the usage of hazardous substances and are environmental friendly.

  4. Instrument for Analysis of Organic Compounds on Other Planets

    Science.gov (United States)

    Daulton, Riley M.; Hintze, Paul E.

    2016-01-01

    The goal of this project is to develop the Instrument for Solvent Extraction and Analysis of Extraterrestrial Bodies using In Situ Resources (ISEE). Specifically, ISEE will extract and characterize organic compounds from regolith which is found on the surface of other planets or asteroids. The techniques this instrument will use are supercritical fluid extraction (SFE) and supercritical fluid chromatography (SFC). ISEE aligns with NASA's goal to expand the frontiers of knowledge, capability, and opportunities in space in addition to supporting NASA's aim to search for life elsewhere by characterizing organic compounds. The outcome of this project will be conceptual designs of 2 components of the ISEE instrument as well as the completion of proof-of-concept extraction experiments to demonstrate the capabilities of SFE. The first conceptual design is a pressure vessel to be used for the extraction of the organic compounds from the regolith. This includes a comparison of different materials, geometry's, and a proposition of how to insert the regolith into the vessel. The second conceptual design identifies commercially available fluid pumps based on the requirements needed to generate supercritical CO2. The proof-of-concept extraction results show the percent mass lost during standard solvent extractions of regolith with organic compounds. This data will be compared to SFE results to demonstrate the capabilities of ISEE's approach.

  5. [Binding of Volatile Organic Compounds to Edible Biopolymers].

    Science.gov (United States)

    Misharina, T A; Terenina, M B; Krikunova, N I; Medvedeva, I B

    2016-01-01

    Capillary gas chromatography was used to study the influence of the composition and structure of different edible polymers (polysaccharides, vegetable fibers, and animal protein gelatin) on the binding of essential oil components. The retention of volatile organic compounds on biopolymers was shown to depend on their molecule structure and the presence, type, and position of a functional group. The maximum extent of the binding was observed for nonpolar terpene and sesquiterpene hydrocarbons, and the minimum extent was observed for alcohols. The components of essential oils were adsorbed due mostly to hydrophobic interactions. It was shown that the composition and structure of a compound, its physico-chemical state, and the presence of functional groups influence the binding. Gum arabic and guar gum were found to bind nonpolar compounds to a maximum and minimum extent, respectively. It was demonstrated the minimum adsorption ability of locust bean gum with respect to all studied compounds.

  6. Comparison of two common adsorption materials for thermal desorption gas chromatography - mass spectrometry of biogenic volatile organic compounds.

    Science.gov (United States)

    Marcillo, Andrea; Jakimovska, Viktorija; Widdig, Anja; Birkemeyer, Claudia

    2017-09-08

    Volatile organic compounds (VOCs) are commonly collected from gaseous samples by adsorption to materials such as the porous polymer Tenax TA. Adsorbed compounds are subsequently released from these materials by thermal desorption (TD) and separated then by gas chromatography (GC) with flame ionization (FID) or mass spectrometry (MS) detection. Tenax TA is known to be particularly suitable for non-polar to semipolar volatiles, however, many volatiles from environmental and biological samples possess a rather polar character. Therefore, we tested if the polymer XAD-2, which so far is widely used to adsorb organic compounds from aqueous and organic solvents, could provide a broader coverage for (semi)polar VOCs during gas-phase sampling. Mixtures of volatile compounds covering a wide range of volatility (bp. 20-256°C) and different chemical classes were introduced by liquid spiking into sorbent tubes with one of the two porous polymers, Tenax TA or XAD-2, and analyzed by TD/GC-MS. At first, an internal standard mixture composed of 17 authentic standards was used to optimize desorption temperature with respect to sorbent degradation and loading time for calibration. Secondly, we tested the detectability of a complex standard mixture composed of 57 volatiles, most of them common constituents of the body odor of mammals. Moreover, the performance of XAD-2 compared with Tenax TA was assessed as limit of quantitation and linearity for the internal standard mixture and 33 compounds from the complex standard mixture. Volatiles were analyzed in a range between 0.01-∼250ng/tube depending on the compound and material. Lower limits of quantitation were between 0.01 and 3 ng±0.9). Interestingly, we found different kinetics for compound adsorption with XAD-2, and a partially better sensitivity in comparison with Tenax TA. For these analytes, XAD-2 might be recommended as an alternative of Tenax TA for TD/GC-MS analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Emission of volatile organic compounds from silage: compounds, sources, and implications

    Science.gov (United States)

    Silage, fermented cattle feed, has recently been identified as a significant source of volatile organic compounds (VOCs) emitted to the atmosphere. A small number of studies have measured VOC emission from silage, but not enough is known about the processes involved to accurately quantify emission r...

  8. Determination of Volatile Organic Compounds in Selected Strains of Cyanobacteria

    Directory of Open Access Journals (Sweden)

    Ivan Milovanović

    2015-01-01

    Full Text Available Microalgal biomass can be used in creating various functional food and feed products, but certain species of microalgae and cyanobacteria are known to produce various compounds causing off-flavour. In this work, we investigated selected cyanobacterial strains of Spirulina, Anabaena, and Nostoc genera originating from Serbia, with the aim of determining the chemical profile of volatile organic compounds produced by these organisms. Additionally, the influence of nitrogen level during growth on the production of volatile compounds was investigated for Nostoc and Anabaena strains. In addition, multivariate techniques, namely, principal component analysis (PCA and hierarchical cluster analysis (HCA, were used for making distinction among different microalgal strains. The results show that the main volatile compounds in these species are medium chain length alkanes, but other odorous compounds such as 2-methylisoborneol (0.51–4.48%, 2-pentylfuran (0.72–8.98%, β-cyclocitral (0.00–1.17%, and β-ionone (1.15–2.72% were also detected in the samples. Addition of nitrogen to growth medium was shown to negatively affect the production of 2-methylisoborneol, while geosmin was not detected in any of the analyzed samples, which indicates that the manipulation of growth conditions may be useful in reducing levels of some unwanted odor-causing components.

  9. Molecularly imprinted polymers for the pre-concentration of polar organic micropollutants for compound-specific isotope analysis

    Science.gov (United States)

    Bakkour, Rani; Hofstetter, Thomas B.

    2014-05-01

    Compound-specific isotope analysis (CSIA) is a promising tool for assessing transformations of polar organic micropollutants such as pesticides, pharmaceuticals and consumer chemicals in aquatic systems. There are, however, two major challenges: (1) Polar organic micropollutants occur at very low levels and, as a consequence, large amounts of water are required to achieve analyte enrichment with factors of 50'000 and more, inevitably leading to large interferences from the aqueous matrix. (2) The polarity of these micropollutants impedes the use of typical non-polar sorbates for solid-phase enrichment. In view of these challenges, the use of molecularly imprinted polymers (MIP) is a promising approach to produce tailor-made materials for highly selective enrichment of polar organic micropollutants with reduced matrix interferences. In this work, we explore the use of MIP to selectively enrich benzotriazoles, an important class of polar aquatic micropollutants. Polymers were synthesized in the presence of 5,6-dimethyl-1H-benzotriazole as a template, which leaves cavities in the polymer matrix with a very high affinity to the template and closely related structures including our main target analyte, 1H-benzotrizole. After extraction of the template, specific recognition of substituted benzotriazoles is expected by the synthesized MIPs. As the MIP has no specific affinity to the matrix, there is also expected to be negligible enrichment of the matrix. Retention factors of the MIP are compared for different synthetic procedures and to non-imprinted polymers where no specific intermolecular interactions with benzotriazoles are expected. Optimum performance of the MIP is demonstrated in this study in terms of the selectivity of enrichment, recoveries of analytes and the goodness of carbon and nitrogen isotope ratios measured by gas chromatography isotopic ratio mass spectrometry (GC/IRMS). This approach will enable us to enrich large amounts of aqueous samples while

  10. New graphene fiber coating for volatile organic compounds analysis.

    Science.gov (United States)

    Zhang, GuoJuan; Guo, XiaoXi; Wang, ShuLing; Wang, XueLan; Zhou, YanPing; Xu, Hui

    2014-10-15

    In the work, a novel graphene-based solid phase microextraction-gas chromatography/mass spectrometry method was developed for the analysis of trace amount of volatile organic compounds in human exhaled breath vapor. The graphene fiber coating was prepared by a one-step hydrothermal reduction reaction. The fiber with porous and wrinkled structure exhibited excellent extraction efficiency toward eight studied volatile organic compounds (two n-alkanes, five n-aldehydes and one aromatic compound). Meanwhile, remarkable thermal and mechanical stability, long lifespan and low cost were also obtained for the fiber. Under the optimal conditions, the developed method provided low limits of detection (1.0-4.5ngL(-1)), satisfactory reproducibility (3.8-13.8%) and acceptable recoveries (93-122%). The method was applied successfully to the analysis of breath samples of lung cancer patients and healthy individuals. The unique advantage of this approach includes simple setup, non-invasive analysis, cost-efficient and sufficient sensitivity. The proposed method supply us a new possibility to monitor volatile organic compounds in human exhaled breath samples.

  11. Temperature sensitivity of organic compound destruction in SCWO process.

    Science.gov (United States)

    Tan, Yaqin; Shen, Zhemin; Guo, Weimin; Ouyang, Chuang; Jia, Jinping; Jiang, Weili; Zhou, Haiyun

    2014-03-01

    To study the temperature sensitivity of the destruction of organic compounds in supercritical water oxidation process (SCWO), oxidation effects of twelve chemicals in supercritical water were investigated. The SCWO reaction rates of different compounds improved to varying degrees with the increase of temperature, so the highest slope of the temperature-effect curve (imax) was defined as the maximum ratio of removal ratio to working temperature. It is an important index to stand for the temperature sensitivity effect in SCWO. It was proven that the higher imax is, the more significant the effect of temperature on the SCWO effect is. Since the high-temperature area of SCWO equipment is subject to considerable damage from fatigue, the temperature is of great significance in SCWO equipment operation. Generally, most compounds (imax > 0.25) can be completely oxidized when the reactor temperature reaches 500°C. However, some compounds (imax > 0.25) need a higher temperature for complete oxidation, up to 560°C. To analyze the correlation coefficients between imax and various molecular descriptors, a quantum chemical method was used in this study. The structures of the twelve organic compounds were optimized by the Density Functional Theory B3LYP/6-311G method, as well as their quantum properties. It was shown that six molecular descriptors were negatively correlated to imax while other three descriptors were positively correlated to imax. Among them, dipole moment had the greatest effect on the oxidation thermodynamics of the twelve organic compounds. Once a correlation between molecular descriptors and imax is established, SCWO can be run at an appropriate temperature according to molecular structure.

  12. Volatile organic compound (VOC) emissions during malting and beer manufacture

    Science.gov (United States)

    Gibson, Nigel B.; Costigan, Gavin T.; Swannell, Richard P. J.; Woodfield, Michael J.

    Estimates have been made of the amounts of volatile organic compounds (VOCs) released during different stages of beer manufacture. The estimates are based on recent measurements and plant specification data supplied by manufacturers. Data were obtained for three main manufacturing processes (malting, wort processing and fermentation) for three commercial beer types. Some data on the speciation of emitted compounds have been obtained. Based on these measurements, an estimate of the total unabated VOC emission. from the U.K. brewing industry was calculated as 3.5 kta -1, over 95% of which was generated during barley malting. This value does not include any correction for air pollution control.

  13. Group extraction of organic compounds present in liquid samples

    Science.gov (United States)

    Jahnsen, Vilhelm J. (Inventor)

    1976-01-01

    An extraction device is disclosed comprising a tube containing a substantially inert, chemically non-reactive packing material with a large surface area to volume ratio. A sample which consists of organic compounds dissolved in a liquid, is introduced into the tube. As the sample passes through the packing material it spreads over the material's large surface area to form a thin liquid film which is held on the packing material in a stationary state. A particular group or family of compounds is extractable from the sample by passing a particular solvent system consisting of a solvent and selected reagents through the packing material. The reagents cause optimum conditions to exist for the compounds of the particular family to pass through the phase boundary between the sample liquid and the solvent of the solvent system. Thus, the compounds of the particular family are separated from the sample liquid and become dissolved in the solvent of the solvent system. The particular family of compounds dissolved in the solvent, representing an extract, exits the tube together with the solvent through the tube's nozzle, while the rest of the sample remains on the packing material in a stationary state. Subsequently, a different solvent system may be passed through the packing material to extract another family of compounds from the remaining sample on the packing material.

  14. A Review of the Tissue Residue Approach for Organic and Organometallic Compounds in Aquatic Organisms

    Science.gov (United States)

    This paper reviews the tissue residue approach (TRA) for toxicity assessment as it applies to organic chemicals and some organometallic compounds (tin, mercury, and lead). Specific emphasis was placed on evaluating key factors that influence interpretation of critical body resid...

  15. Natural organic compounds as tracers for biomass combustion in aerosols

    Energy Technology Data Exchange (ETDEWEB)

    Simoneit, B.R.T. [Brookhaven National Lab., Upton, NY (United States)]|[Oregon State Univ., Corvallis, OR (United States). Coll. of Oceanic and Atmospheric Sciences; Abas, M.R. bin [Brookhaven National Lab., Upton, NY (United States)]|[Univ. of Malaya, Kuala Lumpur (Malaysia); Cass, G.R. [Brookhaven National Lab., Upton, NY (United States)]|[California Inst. of Tech., Pasadena, CA (United States). Environmental Engineering Science Dept.; Rogge, W.F. [Brookhaven National Lab., Upton, NY (United States)]|[Florida International Univ., University Park, FL (United States). Dept. of Civil and Environmental Engineering; Mazurek, M.A. [Brookhaven National Lab., Upton, NY (United States); Standley, L.J. [Academy of Natural Sciences, Avondale, PA (United States). Stroud Water Research Center; Hildemann, L.M. [Stanford Univ., CA (United States). Dept. of Civil Engineering

    1995-08-01

    Biomass combustion is an important primary source of carbonaceous particles in the global atmosphere. Although various molecular markers have already been proposed for this process, additional specific organic tracers need to be characterized. The injection of natural product organic tracers to smoke occurs primarily by direct volatilization/steam stripping and by thermal alteration based on combustion temperature. The degree of alteration increases as the burn temperature rises and the moisture content of the fuel decreases. Although the molecular composition of organic matter in smoke particles is highly variable, the molecular structures of the tracers are generally source specific. The homologous compound series and biomarkers present in smoke particles are derived directly from plant wax, gum and resin by volatilization and secondarily from pyrolysis of biopolymers, wax, gum and resin. The complexity of the organic components of smoke aerosol is illustrated with examples from controlled burns of temperate and tropical biomass fuels. Burning of biomass from temperate regions (i.e., conifers) yields characteristic tracers from diterpenoids as well as phenolics and other oxygenated species, which are recognizable in urban airsheds. The major organic components of smoke particles from tropical biomass are straight-chain, aliphatic and oxygenated compounds and triterpenoids. The precursor-to-product approach of organic geochemistry can be applied successfully to provide tracers for studying smoke plume chemistry and dispersion.

  16. Vapor phase adsorption of organic compounds on octyl silicas

    Science.gov (United States)

    Roshchina, T. M.; Shoniya, N. K.; Tayakina, O. Ya.; Fadeev, A. Y.

    2011-02-01

    The influence of the modification of silica by octyltrichlorosilane with the formation of an oligomeric grafted layer (sample C8(II)) and additional silanization (sample C8(III)) on the thermodynamic adsorption characteristics (TACs) of different classes of organic compounds was investigated by gas chromatography. It was shown that the modification leads to decreased adsorption values for most of the investigated compounds (with the exception of alkanes, for which TACs on sample C8(II) approach the values observed on the initial support, due probably to additional interactions with silanol groups formed in modifying the surface with octyltrichlorosilane). It was established that blocking these silanol groups during additional silanization with trimethylsilane resulted in inert surfaces whose adsorption properties with respect to many compounds (including some capable of participating in strong specific interactions) approaches to the properties of octyl-silica with a close-packed grafted monolayer.

  17. Organic Electrofluorescent Materials Using Pyridine-Containing Macrocyclic Compounds

    Institute of Scientific and Technical Information of China (English)

    Tingxi LI; Long FU; Wenwen YU; Renhe HUANG

    2008-01-01

    Novel pyridine-containing macrocyclic compounds, such as 6,12,19,25-tetramethyl-7,11,20,24-dinitrilo-dibenzo[b,m]l,4,12,15-tetra-azacyclodoc osine (TMCD), were synthesized and used as electron transport layer in organic electroluminescent devices. Devices with a structure of glass/indium-tin oxide/arylamine derivative/tris(quinolinolato)aluminum(Ⅲ) (AIq)/TMCD/LiF/AI exhibited green emission from the Alq layer with external quantum efficiency of 0.84% and luminous efficiency of 1.3 lm/W. The derivatives of TMCD were synthesized and characterized as well. These compounds were also found to be useful as the electron-transporting materials in organic electroluminescent devices.

  18. Kinetics of metabolism of organic and inorganic 14C compounds.

    Science.gov (United States)

    Vasilenko IYa; Bugryshev, P F; Istomina, A G; Turova, V I

    1982-01-01

    Results of experimental studies on the dynamics of metabolism of various inorganic (NA2CO3, K2CO3, CaCO3) and organic (glucose, glycine, palmitic and succinic acids, ethanol and methanol) compounds of 14C after its single and long-term administration into the organism of rats are presented. The values of the corresponding rates of accumulation of 14C and the onset of the state of equilibrium after long-term administration of the radionuclide were elucidated for a number of compounds. Results of the studies can find practical application in norm-setting. The corresponding rate of accumulation in man of 14C taken in the diet was determined by extrapolation of the experimental data. It was found to be approximately 30. The state of practical 14C equilibrium in man occurs approximately 11/2 years after the beginning of the intake.

  19. Aqueous photodegradation of persistent organic compounds of pharmaceutical origin

    OpenAIRE

    Martínez García, Cristina

    2013-01-01

    [Abstract] In this PhD thesis have been implemented advanced oxidation processes (AOPs), specifically, heterogeneous photocatalysis, in order to removal persistent organic pollutants of pharmaceutical (PPCPs) origin in aqueous media. The target compounds have been selected on function of its presence into the wastewater, groundwater and, specifically natural waters, as well as, its Spain´s consumption level. The studied drugs have been: two non-steroidal anti-inflammatory, ketoprofen and dicl...

  20. Advanced Methods for Treatment of Organic Compounds Contamined Water

    Directory of Open Access Journals (Sweden)

    PREDESCU Andra

    2009-08-01

    Full Text Available The progress recorded in the field of science and advanced engineering at nanometric scale supplies largeopportunities for more efficient (from the point of view of the costs and more ecological approach of the processes ofwater purifying. This paper delivers a short description of the possibilities of using advanced materials in purifying thecontamined water with toxic metallic ions, organic and anorganic compounds. The opportunities and challenges werealso emphasized when nanomaterials were used for the surface, underground and industrial used waters treatment.

  1. Marine Vibrio Species Produce the Volatile Organic Compound Acetone

    OpenAIRE

    Nemecek-Marshall, M; Wojciechowski, C; Kuzma, J.; Silver, G. M.; Fall, R.

    1995-01-01

    While screening aerobic, heterotrophic marine bacteria for production of volatile organic compounds, we found that a group of isolates produced substantial amounts of acetone. Acetone production was confirmed by gas chromatography, gas chromatography-mass spectrometry, and high-performance liquid chromatography. The major acetone producers were identified as nonclinical Vibrio species. Acetone production was maximal in the stationary phase of growth and was stimulated by addition of l-leucine...

  2. Volatile organic compound optical fiber sensors: a review

    OpenAIRE

    Arregui, Francisco J.; Candido Bariain; Matias, Ignacio R; Cesar Elosua

    2006-01-01

    Volatile organic compound (VOC) detection is a topic of growing interest with applications in diverse fields, ranging from environmental uses to the food or chemical industries. Optical fiber VOC sensors offering new and interesting properties which overcame some of the inconveniences found on traditional gas sensors appeared over two decades ago. Thanks to its minimum invasive nature and the advantages that optical fiber offers such as light weight, passive nature, low attenuation and the...

  3. ANAEROBIC BIODEGRADATION OF ORGANIC COMPOUNDS IN MICROBIAL FUEL CELLS

    Directory of Open Access Journals (Sweden)

    Samkov A. A.

    2014-09-01

    Full Text Available МF-4SК membrane-based microbial fuel cell (MFC was used for an anaerobic utilization of organic com-pounds of various liquid wastes. During incubation in short circuit mode, decreasing of the COD value on range 30-87 % depending on the type of wastes was detected. The dependence of the microbial fuel cell output power on the value of the external load was determined by a number of structural characteristics of MFC

  4. Sugar-Related Organic Compounds in Carbonaceous Meteorites

    Science.gov (United States)

    Cooper, G.; Kimmich, N.; Belisle, W.; Sarinana, J.; Brabham, K.; Garrel, L.; DeVincenzi, Donald L. (Technical Monitor)

    2001-01-01

    Sugars and related polyols are critical components of all organisms and may have been necessary for the origin of life. To date, this class of organic compounds had not been definitively identified in meteorites. This study was undertaken to determine if polyols were present in the early Solar System as constituents of carbonaceous meteorites. Results of analyses of the Murchison and Murray meteorites indicate that formaldehyde and sugar chemistry may be responsible for the presence of a variety of polyols. We conclude that polyols were present on the early Earth through delivery by asteroids and possibly comets.

  5. Volatile organic compounds associated with Plasmodium falciparum infection in vitro.

    Science.gov (United States)

    Correa, Ricardo; Coronado, Lorena M; Garrido, Anette C; Durant-Archibold, Armando A; Spadafora, Carmenza

    2017-05-02

    In order to identify new ways to prevent transmission of vector-borne diseases such as malaria, efforts have been made to understand how insects are attracted to humans. Vector-host interaction studies have shown that several volatile compounds play an important role in attracting mosquitoes to human targets. A headspace solid-phase micro-extraction/gas chromatography-mass spectrometry (HSPME GC-MS) analysis of the volatile organic composition of extracellular vesicles (EVs) and supernatants of ultracentrifugation (SNUs) was carried out in Plasmodium falciparum-infected cultures with high and low parasitemias. A list of 18 volatile organic compounds (VOCs) was obtained from the EVs of both infected and uninfected RBCs with 1,2,3-Propanetriol, diacetate (diacetin) increased in the infected EVs, regardless of the parasitemia of the culture. The supernatant analysis, however, gave off 56 VOCs, with pentane 2,2,4-trimethyl being present in all the SNUs of uninfected erythrocytes but absent from the parasite-infected ones. Standing out in this study was hexanal, a reported insect attractant, which was the only VOC present in all samples from SNUs from infected erythrocytes and absent from uninfected ones, suggesting that it originates during parasite infection. The hexanal compound, reportedly a low-level component found in healthy human samples such as breath and plasma, had not been found in previous analyses of P. falciparum-infected patients or cultures. This compound has been reported as an Anopheles gambiae attractant in plants. While the compound could be produced during infection by the malaria parasite in human erythrocytes, the A. gambiae attraction could be used by the parasite as a strategy for transmission.

  6. Biodegradation of volatile organic compounds by five fungal species

    Energy Technology Data Exchange (ETDEWEB)

    Qi, B.; Moe, W.M. [Dept. of Civil and Environmental Engineering, Louisiana State Univ., Baton Rouge, LA (United States); Kinney, K.A. [Dept. of Civil Engineering, Univ. of Texas, Austin (United States)

    2002-07-01

    Five fungal species, Cladosporium resinae (ATCC 34066), Cladosporium sphaerospermum (ATCC 200384), Exophiala lecanii-corni (CBS 102400), Mucor rouxii (ATCC 44260), and Phanerochaete chrysosporium (ATCC 24725), were tested for their ability to degrade nine compounds commonly found in industrial off-gas emissions. Fungal cultures inoculated on ceramic support media were provided with volatile organic compounds (VOCs) via the vapor phase as their sole carbon and energy sources. Compounds tested included aromatic hydrocarbons (benzene, ethylbenzene, toluene, and styrene), ketones (methyl ethyl ketone, methyl isobutyl ketone, and methyl propyl ketone), and organic acids (n-butyl acetate, ethyl 3-ethoxypropionate). Experiments were conducted using three pH values ranging from 3.5 to 6.5. Fungal ability to degrade each VOC was determined by observing the presence or absence of visible growth on the ceramic support medium during a 30-day test period. Results indicate that E. lecanii-corni and C. sphaerospermum can readily utilize each of the nine VOCs as a sole carbon and energy source. P. chrysosporium was able to degrade all VOCs tested except for styrene under the conditions imposed. C. resinae was able to degrade both organic acids, all of the ketones, and some of the aromatic compounds (ethylbenzene and toluene); however, it was not able to grow utilizing benzene or styrene under the conditions tested. With the VOCs tested, M. rouxii produced visible growth only when supplied with n-butyl acetate or ethyl 3-ethoxypropionate. Maximum growth for most fungi was observed at a pH of approximately 5.0. The experimental protocol utilized in these studies is a useful tool for assessing the ability of different fungal species to degrade gas-phase VOCs under conditions expected in a biofilter application. (orig.)

  7. Emission of Biogenic Volatile Organic Compounds in the Arctic

    DEFF Research Database (Denmark)

    Lindwall, Frida

    Emissions of biogenic volatile organic compounds (BVOCs) from arctic ecosystems are scarcely studied and the effect of climate change on BVOC emissions even less so. BVOCs are emitted from all living organisms and play a role for atmospheric chemistry. The major part of BVOCs derives from plants,......, arctic BVOC emissions will become more important for the global BVOC budget as well as for the regional climate due to the positive and negative climate warming feedbacks.......Emissions of biogenic volatile organic compounds (BVOCs) from arctic ecosystems are scarcely studied and the effect of climate change on BVOC emissions even less so. BVOCs are emitted from all living organisms and play a role for atmospheric chemistry. The major part of BVOCs derives from plants...... growing seasons, low temperatures and low statured plants, occurs at twice the speed of the global average. Changes in temperature and precipitation patterns have consequences for soil, plant species distribution, plant biomass and reproductive success. Emission and production of BVOCs are temperature...

  8. Simulation of Comet Impact and Survivability of Organic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Liu, B T; Lomov, I N; Blank, J G; Antoun, T H

    2007-07-18

    Comets have long been proposed as a potential means for the transport of complex organic compounds to early Earth. For this to be a viable mechanism, a significant fraction of organic compounds must survive the high temperatures due to impact. We have undertaken three-dimensional numerical simulations to track the thermodynamic state of a comet during oblique impacts. The comet was modeled as a 1-km water-ice sphere impacting a basalt plane at 11.2 km/s; impact angles of 15{sup o} (from horizontal), 30{sup o}, 45{sup o}, 65{sup o}, and 90{sup o} (normal impact) were examined. The survival of organic cometary material, modeled as water ice for simplicity, was calculated using three criteria: (1) peak temperatures, (2) the thermodynamic phase of H{sub 2}O, and (3) final temperature upon isentropic unloading. For impact angles greater than or equal to 30{sup o}, no organic material is expected to survive the impact. For the 15{sup o} impact, most of the material survives the initial impact and significant fractions (55%, 25%, and 44%, respectively) satisfy each survival criterion at 1 second. Heating due to deceleration, in addition to shock heating, plays a role in the heating of the cometary material for nonnormal impacts. This effect is more noticeable for more oblique impacts, resulting in significant deviations from estimates using scaling of normal impacts. The deceleration heating of the material at late times requires further modeling of breakup and mixing.

  9. Radiocarbon dating of diatom-bound organic compounds

    Science.gov (United States)

    Hatte, C.; Hodgins, G.; Jull, T.; Cruz, R.; Lange, T.; Biddulph, D.

    2006-12-01

    We present a new method for obtaining radiocarbon dates for the proteins intrinsic to diatom frustules (sillafin). By asserting age models for sediment cores that lack calcium carbonate, this method will improve interpretations of diatom-based paleoproxies either marine or lacustrine. In preparation for radiocarbon dating by Accelerator Mass Spectrometry, diatoms were first concentrated out of the sediment. Through chemical and physical treatments that will be discussed and compared here, diatoms frustules are then freed of any surface-bound organic matter. Compounds intrinsic to diatoms frustules are then released from their opal matrix by HF dissolution. Since we have eliminated any of potentially contaminating organic matter, this method differs from approaches based on specific compounds extraction from a complex organic mixture by preparative chromatography such as proposed by Ingalls et al. (2004, Mar. Chem). The advantage of our method is that it does not require heavy cost investment. The method was applied to samples from a marine core collected in the Southern Ocean, that spans the last climatic cycle. Diatoms rich sediments from a Holocene lacustrine/palustrine record from Texas were also investigated. We report on the radiocarbon dating results obtained on organic matter at each step of the chemical treatment, from bulk to sillafin and their interpretation.

  10. Determination of organic nitro compounds using HPLC-UV-PAED

    Science.gov (United States)

    Marple, Ronita L.; LaCourse, William R.

    2004-12-01

    High-performance liquid chromatography with ultra violet and photo-assisted electrochemical detection (HPLC-UV-PAED) has been applied to the sensitive and selective determination of organic nitro compounds. The system was first developed for the determination of nitro explosives, and PAED has shown superior sensitivity over UV detection for these compounds (i.e., detectors can be used for improved analyte identification. Also, having two detectors permits chemometric resolution of overlapping peaks, and this is not addressed in the UV method. Because this method is applicable to a wide range of nitro explosives, it was predicted that PAED would show the same sensitivity and selectivity toward other types of nitro compounds. Since its development, the system's use has been expanded to include the determination of nitro-containing pharmaceuticals and glycosylated nitro compounds in biological matrices. Model compounds were chosen, specifically nitroglycerin and related compounds and nitrophenyl-glucoside, to represent these classes. PAED showed superior detection limits over low wavelength UV detection for nitroglycerin (PAED = 0.3ppb, UV at 220nm = 48ppb), demonstrating PAED"s applicability to determining nitro-pharmaceuticals. Conversely, UV detection at 220nm proved to be more sensitive than PAED for nitrophenyl-glucoside (UV at 220 = 0.6ppb, PAED = 3.6ppb). However, when nitrophenyl-glucoside was spiked into urine, PAED determination resulted in 99+0.3% recovery, while UV at 220nm resulted in 116+0.2% recovery, suggesting that UV determination may suffer from matrix interference.

  11. Selective Sorption of Dissolved Organic Carbon Compounds by Temperate Soils

    Energy Technology Data Exchange (ETDEWEB)

    Jagadamma, Sindhu [ORNL; Mayes, Melanie [ORNL; Phillips, Jana Randolph [ORNL

    2012-01-01

    Physico-chemical sorption of dissolved organic carbon (DOC) on soil minerals is one of the major processes of organic carbon (OC) stabilization in soils, especially in deeper layers. The attachment of C on soil solids is related to the reactivity of the soil minerals and the chemistry of the sorbate functional groups, but the sorption studies conducted without controlling microbial activity may overestimate the sorption potential of soil. This study was conducted to examine the sorptive characteristics of a diverse functional groups of simple OC compounds (D-glucose, L-alanine, oxalic acid, salicylic acid, and sinapyl alcohol) on temperate climate soil orders (Mollisols, Ultisols and Alfisols) with and without biological degradative processes. Equilibrium batch experiments were conducted using 0-100 mg C L-1 at a solid-solution ratio of 1:60 for 48 hrs and the sorption parameters were calculated by Langmuir model fitting. The amount of added compounds that remained in the solution phase was detected by high performance liquid chromatography (HPLC) and total organic C (TOC) analysis. Soil sterilization was performed by -irradiation technique and experiments were repeated to determine the contribution of microbial degradation to apparent sorption. Overall, Ultisols did not show a marked preference for apparent sorption of any of the model compounds, as indicated by a narrower range of maximum sorption capacity (Smax) of 173-527 mg kg soil-1 across compounds. Mollisols exhibited a strong preference for apparent sorption of oxalic acid (Smax of 5290 mg kg soil-1) and sinapyl alcohol (Smax of 2031 mg kg soil-1) over the other compounds. The propensity for sorption of oxalic acid is mainly attributed to the precipitation of insoluble Ca-oxalate due to the calcareous nature of most Mollisol subsoils and its preference for sinapyl alcohol could be linked to the polymerization of this lignin monomer on 2:2 mineral dominated soils. The reactivity of Alfisols to DOC was in

  12. Design of non-polarizing thin film edge filters

    Institute of Scientific and Technical Information of China (English)

    GU Pei-fu; ZHENG Zhen-rong

    2006-01-01

    The separation between s- and p-polarization components invariably affects thin film edge filters used for tilted incidence and is a difficult problem for many applications, especially for optical communication. This paper presents a novel design method to obtain edge filters with non-polarization at incidence angle of 45°. The polarization separation at 50% transmittance for a long-wave-pass filter and a short-wave-pass filter is 0.3 nm and 0.1 nm respectively. The design method is based on a broadband Fabry-Perot thin-film interference filter in which the higher or lower interference band at both sides of the main transmittance peak can be used for initial design of long-wave-pass filter or short-wave-pass filter and then can be refined to reduce the transmittance ripples. The spacer 2H2L2H or 2L2H2L of the filter is usually taken. Moreover, the method for expanding the bandwidth of rejection and transmission is explained. The bandwidth of 200 nm for both rejection region and transmission band is obtained at wavelength 1550 nm. In this way, the long-wave-pass and short-wave-pass edge filters with zero separation between two polarization components can easily be fabricated.

  13. Radiocatalytic degradation of dissolved organic compounds in wastewater

    Directory of Open Access Journals (Sweden)

    Jiménez-Becerril Jaime

    2016-12-01

    Full Text Available Wastewater containing a high concentration of organic substances was exposed to gamma radiolysis in the presence and absence of a catalyst (TiO2; radiolysis and radiocatalysis were performed by means of continuous and discontinuous irradiation. Dissolved organic carbon (DOC was the parameter used to estimate the concentration of organic compounds without interference by the high mineral content. The data was well fitted to the pseudo-first-order kinetic model of Langmuir-Hinshelwood. From a [DOC]0 = 140 ± 7 mg/L, the higher DOC degradation (74% and apparent rate constant (Kapp = 0.083 h-1 were found using discontinuous radiocatalysis. This process could be an alternative method of treatment of industrial or municipal wastewater

  14. Effects of organic compounds on actinoid transfer in natural environment

    Energy Technology Data Exchange (ETDEWEB)

    Hiraki, Keizo; Nakaguchi, Yuzuru; Suzuki, Yasuhiro [Kinki Univ., Higashi-Osaka, Osaka (Japan). Faculty of Science and Technology; Senoo, Muneaki; Nagao, Seiya; Sakamoto, Yoshiaki

    1996-01-01

    For safety evaluation of geological disposal of radioactive wastes, it seems necessary to elucidate the geological transfer of radioactive nuclides in the soil and the undersea sediments. It has been known that there exist various organic compounds highly potential to form a complex with TRU elements, uranium, copper etc. in the soil and the sediments and those compounds may play an important role for geological transfer of nuclides. In this study, fluorescent substances contained in underground and river water were focused as the measures to identify the molecular species of organic compounds in natural water and their interactions with radionuclides and minor metals, and their geological transfers were investigated. Spectrophotometric properties of humic acid obtained in the market were examined. Its fluorescent intensity was strongest at pH 10 and stable for 2 weeks or more. Then, highly polluted river water was taken from Yamato river to determine the contents of humic acid and other fluorescent substances. Further, the effects of the additions of Cu and Fe on the fluorescent intensity were examined. (M.N.)

  15. Transport, behavior, and fate of volatile organic compounds in streams

    Science.gov (United States)

    Rathbun, R.E.

    2000-01-01

    Volatile organic compounds (VOCs) are compounds with chemical and physical properties that allow the compounds to move freely between the water and air phases of the environment. VOCs are widespread in the environment because of this mobility. Many VOCs have properties that make them suspected or known hazards to the health of humans and aquatic organisms. Consequently, understanding the processes affecting the concentration and distribution of VOCs in the environment is necessary. The transport, behavior, and fate of VOCs in streams are determined by combinations of chemical, physical, and biological processes. These processes are volatilization, absorption, wet and dry deposition, microbial degradation, sorption, hydrolysis, aquatic photolysis, oxidation, chemical reaction, biocon-centration, advection, and dispersion. The relative importance of each of these processes depends on the characteristics of the VOC and the stream. The U.S. Geological Survey National Water-Quality Assessment Program selected 55 VOCs for study. This article reviews the characteristics of the various processes that could affect the transport, behavior, and fate of these VOCs in streams.

  16. Catalytic oxidation of volatile organic compounds (VOCs) - A review

    Science.gov (United States)

    Kamal, Muhammad Shahzad; Razzak, Shaikh A.; Hossain, Mohammad M.

    2016-09-01

    Emission of volatile organic compounds (VOCs) is one of the major contributors to air pollution. The main sources of VOCs are petroleum refineries, fuel combustions, chemical industries, decomposition in the biosphere and biomass, pharmaceutical plants, automobile industries, textile manufacturers, solvents processes, cleaning products, printing presses, insulating materials, office supplies, printers etc. The most common VOCs are halogenated compounds, aldehydes, alcohols, ketones, aromatic compounds, and ethers. High concentrations of these VOCs can cause irritations, nausea, dizziness, and headaches. Some VOCs are also carcinogenic for both humans and animals. Therefore, it is crucial to minimize the emission of VOCs. Among the available technologies, the catalytic oxidation of VOCs is the most popular because of its versatility of handling a range of organic emissions under mild operating conditions. Due to that fact, there are numerous research initiatives focused on developing advanced technologies for the catalytic destruction of VOCs. This review discusses recent developments in catalytic systems for the destruction of VOCs. Review also describes various VOCs and their sources of emission, mechanisms of catalytic destruction, the causes of catalyst deactivation, and catalyst regeneration methods.

  17. Using nuclear chemical method for synthesizing unknown organic onium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nefedov, V.D.; Toropova, M.A.; Shchepina, N.Y.; Avrorin, V.V.; Zhuravlev, V.Ye.

    1982-05-01

    While considerable research has been done on organic onium derivatives, a number of compounds, including ones with halogens other than iodine, have not been produced. The authors applied the nuclear chemical method they previously proposed (Soviet patents) in synthesizing tetraphenyl-ammonium and diphenylfuoronium compounds. The method involves directed ion-molecular reactions of tritium-treated phenyl cations obtained in the beta-decomposition of tritium in the framework of tritium-treated benzene with phenyl derivatives of the elements being studied. Ion-molecular reactions were conducted in sealed ampules containing the reactive mass of treated benzene (the phenyl-cation source), phenyl derivatives of nitrogen and fluorine as substrates, and salts of inorganic KBF/sub 4/ or KI. Thin layer chromatography was used to identify the onium compounds obtained. Low yields in earlier tests of the derivative of tetraphenylammonium were apparently due to severe spatial difficulties; these difficulties were reduced in the present method by replacing phenyl groups with methyl groups, and much improved yields resulted. Evidence from chromatography confirms the identical molecular structures of the treated onium derivatives obtained and corresponding onium compounds of analogous phosphorus and bromine.

  18. Fate of Volatile Organic Compounds in Constructed Wastewater Treatment Wetlands

    Science.gov (United States)

    Keefe, S.H.; Barber, L.B.; Runkel, R.L.; Ryan, J.N.

    2004-01-01

    The fate of volatile organic compounds was evaluated in a wastewater-dependent constructed wetland near Phoenix, AZ, using field measurements and solute transport modeling. Numerically based volatilization rates were determined using inverse modeling techniques and hydraulic parameters established by sodium bromide tracer experiments. Theoretical volatilization rates were calculated from the two-film method incorporating physicochemical properties and environmental conditions. Additional analyses were conducted using graphically determined volatilization rates based on field measurements. Transport (with first-order removal) simulations were performed using a range of volatilization rates and were evaluated with respect to field concentrations. The inverse and two-film reactive transport simulations demonstrated excellent agreement with measured concentrations for 1,4-dichlorobenzene, tetrachloroethene, dichloromethane, and trichloromethane and fair agreement for dibromochloromethane, bromo-dichloromethane, and toluene. Wetland removal efficiencies from inlet to outlet ranged from 63% to 87% for target compounds.

  19. Prediction of solvation enthalpy of gaseous organic compounds in propanol

    Science.gov (United States)

    Golmohammadi, Hassan; Dashtbozorgi, Zahra

    2016-09-01

    The purpose of this paper is to present a novel way for developing quantitative structure-property relationship (QSPR) models to predict the gas-to-propanol solvation enthalpy (Δ H solv) of 95 organic compounds. Different kinds of descriptors were calculated for each compound using the Dragon software package. The variable selection technique of replacement method (RM) was employed to select the optimal subset of solute descriptors. Our investigation reveals that the dependence of physical chemistry properties of solution on solvation enthalpy is nonlinear and that the RM method is unable to model the solvation enthalpy accurately. The results established that the calculated Δ H solv values by SVM were in good agreement with the experimental ones, and the performances of the SVM models were superior to those obtained by RM model.

  20. Biodesulfurization of refractory organic sulfur compounds in fossil fuels.

    Science.gov (United States)

    Soleimani, Mehran; Bassi, Amarjeet; Margaritis, Argyrios

    2007-01-01

    The stringent new regulations to lower sulfur content in fossil fuels require new economic and efficient methods for desulfurization of recalcitrant organic sulfur. Hydrodesulfurization of such compounds is very costly and requires high operating temperature and pressure. Biodesulfurization is a non-invasive approach that can specifically remove sulfur from refractory hydrocarbons under mild conditions and it can be potentially used in industrial desulfurization. Intensive research has been conducted in microbiology and molecular biology of the competent strains to increase their desulfurization activity; however, even the highest activity obtained is still insufficient to fulfill the industrial requirements. To improve the biodesulfurization efficiency, more work is needed in areas such as increasing specific desulfurization activity, hydrocarbon phase tolerance, sulfur removal at higher temperature, and isolating new strains for desulfurizing a broader range of sulfur compounds. This article comprehensively reviews and discusses key issues, advances and challenges for a competitive biodesulfurization process.

  1. Native Fluorescence Detection Methods, Devices, and Systems for Organic Compounds

    Science.gov (United States)

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

    2016-01-01

    Naphthalene, benzene, toluene, xylene, and other volatile organic compounds VOCs have been identified as serious health hazards. Embodiments of the invention are directed to methods and apparatus for near-real-time in-situ detection and accumulated dose measurement of exposure to naphthalene vapor and other hazardous gaseous VOCs. The methods and apparatus employ excitation of fluorophors native or endogenous to compounds of interest using light sources emitting in the ultraviolet below 300 nm and measurement of native fluorescence emissions in distinct wavebands above the excitation wavelength. The apparatus of some embodiments are cell-phone-sized sensor/dosimeter "badges" to be worn by personnel potentially exposed to hazardous VOCs. The badge sensor of some embodiments provides both real time detection and data logging of exposure to naphthalene or other VOCs of interest from which both instantaneous and accumulated dose can be determined.

  2. Volatile organic compounds in the unsaturated zone from radioactive wastes

    Science.gov (United States)

    Baker, Ronald J.; Andraski, Brian J.; Stonestrom, David A.; Luo, Wentai

    2012-01-01

    Volatile organic compounds (VOCs) are often comingled with low-level radioactive wastes (LLRW), but little is known about subsurface VOC emanations from LLRW landfills. The current study systematically quantified VOCs associated with LLRW over an 11-yr period at the USGS Amargosa Desert Research Site (ADRS) in southwestern Nevada. Unsaturated-zone gas samples of VOCs were collected by adsorption on resin cartridges and analyzed by thermal desorption and GC/MS. Sixty of 87 VOC method analytes were detected in the 110-m-thick unsaturated zone surrounding a LLRW disposal facility. Chlorofluorocarbons (CFCs) were detected in 100% of samples collected. Chlorofluorocarbons are powerful greenhouse gases, deplete stratospheric ozone, and are likely released from LLRW facilities worldwide. Soil-gas samples collected from a depth of 24 m and a horizontal distance 100 m south of the nearest waste-disposal trench contained >60,000 ppbv total VOCs, including >37,000 ppbv CFCs. Extensive sampling in the shallow unsaturated zone (0–2 m deep) identified areas where total VOC concentrations exceeded 5000 ppbv at the 1.5-m depth. Volatile organic compound concentrations exceeded background levels up to 300 m from the facility. Maximum vertical diffusive fluxes of total VOCs were estimated to be 1 g m-2 yr-1. Volatile organic compound distributions were similar but not identical to those previously determined for tritium and elemental mercury. To our knowledge, this study is the first to characterize the unsaturated zone distribution of VOCs emanating from a LLRW landfill. Our results may help explain anomalous transport of radionuclides at the ADRS and elsewhere.

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

    Science.gov (United States)

    Šetka, Milena; Drbohlavová, Jana; Hubálek, Jaromír

    2017-03-10

    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.

  4. Organic compounds in produced waters from shale gas wells.

    Science.gov (United States)

    Maguire-Boyle, Samuel J; Barron, Andrew R

    2014-01-01

    A detailed analysis is reported of the organic composition of produced water samples from typical shale gas wells in the Marcellus (PA), Eagle Ford (TX), and Barnett (NM) formations. The quality of shale gas produced (and frac flowback) waters is a current environmental concern and disposal problem for producers. Re-use of produced water for hydraulic fracturing is being encouraged; however, knowledge of the organic impurities is important in determining the method of treatment. The metal content was determined by inductively coupled plasma optical emission spectrometry (ICP-OES). Mineral elements are expected depending on the reservoir geology and salts used in hydraulic fracturing; however, significant levels of other transition metals and heavier main group elements are observed. The presence of scaling elements (Ca and Ba) is related to the pH of the water rather than total dissolved solids (TDS). Using gas chromatography mass spectrometry (GC/MS) analysis of the chloroform extracts of the produced water samples, a plethora of organic compounds were identified. In each water sample, the majority of organics are saturated (aliphatic), and only a small fraction comes under aromatic, resin, and asphaltene categories. Unlike coalbed methane produced water it appears that shale oil/gas produced water does not contain significant quantities of polyaromatic hydrocarbons reducing the potential health hazard. Marcellus and Barnett produced waters contain predominantly C6-C16 hydrocarbons, while the Eagle Ford produced water shows the highest concentration in the C17-C30 range. The structures of the saturated hydrocarbons identified generally follows the trend of linear > branched > cyclic. Heterocyclic compounds are identified with the largest fraction being fatty alcohols, esters, and ethers. However, the presence of various fatty acid phthalate esters in the Barnett and Marcellus produced waters can be related to their use in drilling fluids and breaker additives

  5. Synthesis of Carbon Nanotubes and Volatile Organic Compounds Detection

    Directory of Open Access Journals (Sweden)

    Sobri S.

    2016-01-01

    Full Text Available In this work, the adsorption effect of volatile organic compounds (chloroacetophenone, acetonitrile and hexane towards the change of resistance of CNTs pellet as sensor signal was investigated. CNTs used in this research were synthesized using Floating Catalyst – Chemical Vapor Deposition (FC-CVD method in optimum condition. The synthesized CNTs were characterized using Scanning Electron Microscopy (SEM, Transmission Electron Microscopy (TEM and Raman Spectroscopy. The variation of resistance changes towards the tested gases were recorded using a multimeter. CNTs sensor pellet showed good responses towards the tested gases, however, the sensitivity, response time and recovery time of sensor pellet need to be optimized.

  6. Volatile organic compound emission profiles of four common arctic plants

    DEFF Research Database (Denmark)

    Vedel-Petersen, Ida; Schollert, Michelle; Nymand, Josephine;

    2015-01-01

    The biogenic volatile organic compound (BVOC) emissions from plants impact atmosphere and climate. The species-specific emissions, and thereby the atmospheric impact, of many plant species are still unknown. Knowledge of BVOC emission from arctic plants is particularly limited. The vast area...... and relatively high leaf temperature give the Arctic potential for emissions that cannot be neglected. This field study aimed to elucidate the BVOC emission profiles for four common arctic plant species in their natural environment during the growing season. BVOCs were sampled from aboveground parts of Empetrum...

  7. 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.

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

    Science.gov (United States)

    Šetka, Milena; Drbohlavová, Jana; Hubálek, Jaromír

    2017-01-01

    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. PMID:28287435

  9. The sampling apparatus of volatile organic compounds for wood composites

    Institute of Scientific and Technical Information of China (English)

    SHENJun; ZHAOLin-bo; LIUYu

    2005-01-01

    Terpenes, aldehydes, ketones, benzene, and toluene are the important volatile organic compounds (VOCs) emitted from wood composites. A sampling apparatus of VOCs for wood composites was designed and manufactured by Northeast Forestry University in China.The concentration of VOCs derived from wood based materials, such as flooring, panel wall, finishing, and furniture can be sampled in a small stainless steel chambers. A protocol is also developed in this study to sample and measure the new and representative specimens. Preliminary research showed that the properties of the equipment have good stability. The sort and the amount of different components can be detected from it. The apparatus is practicable.

  10. Review on Volatile Organic Compounds Emission from Wood Composites

    Institute of Scientific and Technical Information of China (English)

    LIU Yu; YU Yaoming; SHEN Jun; LIU Ming

    2006-01-01

    The problem of indoor air quality (IAQ) is mainly caused by the volatile organic compounds (VOC) emission from the wood-based composites. As a material for decoration, furniture manufacturing or building, wood-based composite is one of the sources of VOC emissions. Most of them are formaldehyde, terpene, ketone and benzene. The paper reviews on VOC emission of wood-based composites at home and abroad, including the source of the VOC, its impacts on IAQ, its emission during processing and using, the usual sampling and analyse methods of VOC in different conditions. Meanwhile, main problems existed in the past researches are summarized and some suggestions are put forward.

  11. Volatile organic compounds emissions from gasoline and diesel powered vehicle

    Energy Technology Data Exchange (ETDEWEB)

    Mugica, V [Universidad Autonoma Metropolitana, Mexico, D.F. (Mexico); Vega, E; Sanchez, G; Reyes, E; Arriaga, J. L [Instituto Mexicano del Petroleo, Mexico, D.F. (Mexico); Chow, J; Watson, J; Egami, R [Desert Research Institute, Reno, NV (United States)

    2001-01-01

    In this research, volatile organic compound emissions were characterized from gasoline and diesel vehicles. Sampling campaigns in the Metropolitan Area of Mexico City were designed and carried out in tunnels, crossroads, and truck and bus terminals. The samples were analyzed with gas chromatography getting more than 250 different compounds, being more or less 60 of them the 80% of all the emissions. The most abundant are the two carbon compounds, as a result of the combustion, and compounds related to fuels compositions, like isopentane, xylenes, toluene among others. The profiles obtained in tunnels and crossroads were very similar with the exception of the 3 and 4 carbon compounds, which were found in bigger proportion in the profiles at crossroads. This may probably be due to the blend with the ambient air. The profiles corresponding to trucks and buses have a smaller content of two carbon compounds and a bigger content of xylenes, toluene and ethylbenzene. The variations in the proportions of the compounds allow differentiating the profiles of vehicles using gasoline and diesel. [Spanish] En este trabajo se caracterizaron las emisiones de compuestos organicos volatiles provenientes de vehiculos a gasolina y a diesel. Para ello, se disenaron diversas campanas de muestreo en la zona Metropolitana de la Ciudad de Mexico, en tuneles, cruceros y estaciones de camiones de carga y autobuses. Las muestras se analizaron con cromatografia, de gases obteniendose mas de 250 compuestos distintos, de los cuales aproximadamente 60 corresponden a mas del 80% de las emisiones. Los compuestos mas abundantes son los de dos carbonos, resultado de la combustion, y 4 carbonos que se encontraron en mayor proporcion en los perfiles de cruceros, lo cual se debe probablemente a la mezcla con el aire ambiente. Los perfiles correspondientes a camiones de carga y autobuses tienen un menor contenido de compuestos de dos carbonos y un mayor contenido de xilenos, tolueno y etilbenceno. Estas

  12. Emission of Biogenic Volatile Organic Compounds in the Arctic

    DEFF Research Database (Denmark)

    Lindwall, Frida

    Emissions of biogenic volatile organic compounds (BVOCs) from arctic ecosystems are scarcely studied and the effect of climate change on BVOC emissions even less so. BVOCs are emitted from all living organisms and play a role for atmospheric chemistry. The major part of BVOCs derives from plants...... in the atmosphere. This may warm the climate due to a prolonged lifetime of the potent greenhouse gas methane in the atmosphere. However, oxidized BVOCs may participate in formation or growth of aerosols, which in turn may mitigate climate warming. Climate change in the Arctic, an area characterized by short...... dependent and the emissions will increase in a future warmer climate. The aims of this dissertation were to study BVOC emission rates and blends from arctic ecosystems and to reveal the effect of climate change on BVOC emissions from the Arctic. BVOC emissions were measured in ambient and modified...

  13. Cyclodextrin-based microsensors for volatile organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Swanson, B.; Johnson, S.; Shi, J.; Yang, Xiaoguang

    1997-10-01

    Host-guest chemistry and self-assembly techniques are being explored to develop species selective thin-films for real-time sensing of volatile organic compounds (VOCs). Cyclodextrin (CD) and calixarene (CA) molecules are known to form guest-host inclusion complexes with a variety of organic molecules. Through the control of the cavity size and chemical functionality on the rims of these bucket-like molecules, the binding affinities for formation of inclusion complexes can be controlled and optimized for specific agents. Self-assembly techniques are used to covalently bond these reagent molecules to the surface of acoustic transducers to create dense, highly oriented, and stable thin films. Self-assembly techniques have also been used to fabricate multilayer thin film containing molecular recognition reagents through alternating adsorption of charged species in aqueous solutions. Self-assembly of polymeric molecules of the SAW device was also explored for fabricating species selective interfaces.

  14. Extraction of organic compounds with room temperature ionic liquids.

    Science.gov (United States)

    Poole, Colin F; Poole, Salwa K

    2010-04-16

    Room temperature ionic liquids are novel solvents with a rather specific blend of physical and solution properties that makes them of interest for applications in separation science. They are good solvents for a wide range of compounds in which they behave as polar solvents. Their physical properties of note that distinguish them from conventional organic solvents are a negligible vapor pressure, high thermal stability, and relatively high viscosity. They can form biphasic systems with water or low polarity organic solvents and gases suitable for use in liquid-liquid and gas-liquid partition systems. An analysis of partition coefficients for varied compounds in these systems allows characterization of solvent selectivity using the solvation parameter model, which together with spectroscopic studies of solvent effects on probe substances, results in a detailed picture of solvent behavior. These studies indicate that the solution properties of ionic liquids are similar to those of polar organic solvents. Practical applications of ionic liquids in sample preparation include extractive distillation, aqueous biphasic systems, liquid-liquid extraction, liquid-phase microextraction, supported liquid membrane extraction, matrix solvents for headspace analysis, and micellar extraction. The specific advantages and limitations of ionic liquids in these studies is discussed with a view to defining future uses and the need not to neglect the identification of new room temperature ionic liquids with physical and solution properties tailored to the needs of specific sample preparation techniques. The defining feature of the special nature of ionic liquids is not their solution or physical properties viewed separately but their unique combinations when taken together compared with traditional organic solvents.

  15. Biofiltration for control of volatile organic compounds (VOCS)

    Energy Technology Data Exchange (ETDEWEB)

    Bishop, D.F. [Environmental Protection Agency, Cincinnati, OH (United States); Govind, R. [Univ. of Cincinnati, OH (United States)

    1995-10-01

    Air biofiltration is a promising technology for control of air emissions of biodegradable volatile organic compounds (VOCs). In conjunction with vacuum extraction of soils or air stripping of ground water, it can be used to mineralize VOCs removed from contaminated soil or groundwater. The literature describes three major biological systems for treating contaminated air bioscrubbers, biotrickling filters and biofilters. Filter media can be classified as: bioactive fine or irregular particulates, such as soil, peat, compost or mixtures of these materials; pelletized, which are randomly packed in a bed; and structured, such as monoliths with defined or variable passage size and geometry. The media can be made of sorbing and non-absorbing materials. Non-bioactive pelletized and structured media require recycled solutions of nutrients and buffer for efficient microbial activity and are thus called biotrickling filters. Extensive work has been conducted to improve biofiltration by EPA`s Risk Reduction Engineering Laboratory and the University of Cincinnati in biofilters using pelletized and structured media and improved operational approaches. Representative VOCs in these studies included compounds with a range of aqueous solubilities and octanol-water partition coefficients. The compounds include iso-pentane, toluene, methylene chloride, trichloroethylene (TCE), ethyl benzene, chlorobenzene and perchloroethylene (PCE) and alpha ({alpha}-) pinene. Comparative studies were conducted with peat/compost biofilters using isopentane and {alpha}-pinene. Control studies were also conducted to investigate adsorption/desorption of contaminants on various media using mercuric chloride solution to insure the absence of bioactivity.

  16. Methods in plant foliar volatile organic compounds research.

    Science.gov (United States)

    Materić, Dušan; Bruhn, Dan; Turner, Claire; Morgan, Geraint; Mason, Nigel; Gauci, Vincent

    2015-12-01

    Plants are a major atmospheric source of volatile organic compounds (VOCs). These secondary metabolic products protect plants from high-temperature stress, mediate in plant-plant and plant-insect communication, and affect our climate globally. The main challenges in plant foliar VOC research are accurate sampling, the inherent reactivity of some VOC compounds that makes them hard to detect directly, and their low concentrations. Plant VOC research relies on analytical techniques for trace gas analysis, usually based on gas chromatography and soft chemical ionization mass spectrometry. Until now, these techniques (especially the latter one) have been developed and used primarily by physicists and analytical scientists, who have used them in a wide range of scientific research areas (e.g., aroma, disease biomarkers, hazardous compound detection, atmospheric chemistry). The interdisciplinary nature of plant foliar VOC research has recently attracted the attention of biologists, bringing them into the field of applied environmental analytical sciences. In this paper, we review the sampling methods and available analytical techniques used in plant foliar VOC research to provide a comprehensive resource that will allow biologists moving into the field to choose the most appropriate approach for their studies.

  17. [Ion mobility spectrometry for the isomeric volatile organic compounds].

    Science.gov (United States)

    Han, Hai-yan; Jia, Xian-de; Huang, Guo-dong; Wang, Hong-mei; Li, Jian-quan; Jin, Shun-ping; Jiang, Hai-he; Chu, Yan-nan; Zhou, Shi-kang

    2007-10-01

    Ion mobility spectrometry (IMS) is based on determining the drift velocities, which the ionized sample molecules attain in the weak electric field of a drift tube at atmospheric pressure. The drift behavior can be affected by structural differences of the analytes, so that ion mobility spectrometry has the ability to separated isomeric compounds. In the present article, an introduction to IMS is given, followed by a description of the instrument used for the experiments to differentiate isomeric compounds. Positive ion mobility spectras of three kinds of isomeric volatile organic compounds were studied in a homemade high-resolution IMS apparatus with a discharge ionization source. The study includes the differences in the structure of carbon chain, the style of function group, and the position of function group. The reduced mobility values were determined, which are in very good agreement with the previously reported theoretical values using neural network theory. The influence of the structural features of the substances and including the size and shape of the molecule has been investigated. The reduced mobility values increases in the order: alcohols ion mobility spectra of the constitutional isomers studied reflect the influence of structural features. In order to calibrate or determine the detection limits and the sensitivity of the ion mobility spectrometry, the exponential dilution flask (EDF) was used. Using this method, the detection limit of the analytes can reach the order of magnitude of ng x L(-1).

  18. Are Some Fungal Volatile Organic Compounds (VOCs) Mycotoxins?

    Science.gov (United States)

    Bennett, Joan W; Inamdar, Arati A

    2015-09-22

    Volatile organic compounds (VOCs) are carbon-compounds that easily evaporate at room temperature. Toxins are biologically produced poisons; mycotoxins are those toxins produced by microscopic fungi. All fungi emit blends of VOCs; the qualitative and quantitative composition of these volatile blends varies with the species of fungus and the environmental situation in which the fungus is grown. These fungal VOCs, produced as mixtures of alcohols, aldehydes, acids, ethers, esters, ketones, terpenes, thiols and their derivatives, are responsible for the characteristic moldy odors associated with damp indoor spaces. There is increasing experimental evidence that some of these VOCs have toxic properties. Laboratory tests in mammalian tissue culture and Drosophila melanogaster have shown that many single VOCs, as well as mixtures of VOCs emitted by growing fungi, have toxic effects. This paper describes the pros and cons of categorizing toxigenic fungal VOCs as mycotoxins, uses genomic data to expand on the definition of mycotoxin, and summarizes some of the linguistic and other conventions that can create barriers to communication between the scientists who study VOCs and those who study toxins. We propose that "volatoxin" might be a useful term to describe biogenic volatile compounds with toxigenic properties.

  19. Dynamic behavior of semivolatile organic compounds in indoor air

    Energy Technology Data Exchange (ETDEWEB)

    Loy, Michael David Van [Univ. of California, Berkeley, CA (United States)

    1998-12-09

    Exposures to a wide range of air pollutants are often dominated by those occurring in buildings because of three factors: 1) most people spend a large fraction of their time indoors, 2) many pollutants have strong indoor sources, and 3) the dilution volume in buildings is generally several orders of magnitude smaller than that of an urban airshed. Semivolatile organic compounds (SVOCS) are emitted by numerous indoor sources, including tobacco combustion, cooking, carpets, paints, resins, and glues, so indoor gasphase concentrations of these compounds are likely to be elevated relative to ambient levels. The rates of uptake and release of reversibly sorbing SVOCS by indoor materials directly affect both peak concentrations and persistence of the pollutants indoors after source elimination. Thus, accurate predictions of SVOC dynamics in indoor air require an understanding of contaminant sorption on surface materials such as carpet and wallboard. The dynamic behaviors of gas-phase nicotine and phenanthrene were investigated in a 20 ms stainless steel chamber containing carpet and painted wallboard. Each compound was studied independently, first in the empty chamber, then with each sorbent individually, and finally with both sorbents in the chamber.

  20. Are Some Fungal Volatile Organic Compounds (VOCs Mycotoxins?

    Directory of Open Access Journals (Sweden)

    Joan W. Bennett

    2015-09-01

    Full Text Available Volatile organic compounds (VOCs are carbon-compounds that easily evaporate at room temperature. Toxins are biologically produced poisons; mycotoxins are those toxins produced by microscopic fungi. All fungi emit blends of VOCs; the qualitative and quantitative composition of these volatile blends varies with the species of fungus and the environmental situation in which the fungus is grown. These fungal VOCs, produced as mixtures of alcohols, aldehydes, acids, ethers, esters, ketones, terpenes, thiols and their derivatives, are responsible for the characteristic moldy odors associated with damp indoor spaces. There is increasing experimental evidence that some of these VOCs have toxic properties. Laboratory tests in mammalian tissue culture and Drosophila melanogaster have shown that many single VOCs, as well as mixtures of VOCs emitted by growing fungi, have toxic effects. This paper describes the pros and cons of categorizing toxigenic fungal VOCs as mycotoxins, uses genomic data to expand on the definition of mycotoxin, and summarizes some of the linguistic and other conventions that can create barriers to communication between the scientists who study VOCs and those who study toxins. We propose that “volatoxin” might be a useful term to describe biogenic volatile compounds with toxigenic properties.

  1. 75 FR 2090 - Approval and Promulgation of Air Quality Implementation Plans; Indiana; Volatile Organic Compound...

    Science.gov (United States)

    2010-01-14

    ... Organic Compound Automobile Refinishing Rules for Indiana AGENCY: Environmental Protection Agency (EPA... relations, Nitrogen dioxide, Ozone, Reporting and recordkeeping requirements, Volatile organic compounds... Plan (SIP). These rule revisions extend the applicability of Indiana's approved volatile...

  2. Identity and biodegradability of organic compounds migrating from PEX pipes used in water installations in buildings

    DEFF Research Database (Denmark)

    Arvin, Erik; Albrechtsen, Hans-Jørgen; Corfitzen, Charlotte B.;

    2012-01-01

    Migration of organic compounds from PEX pipes used in water installations in buildings was investigated by batch set ups. Several compounds were identified and quantified. The organic compounds released to the water phase could support microbial growth and a few of the identified compounds...

  3. Evaporation of volatile organic compounds from human skin in vitro.

    Science.gov (United States)

    Gajjar, Rachna M; Miller, Matthew A; Kasting, Gerald B

    2013-08-01

    The specific evaporation rates of 21 volatile organic compounds (VOCs) from either human skin or a glass substrate mounted in modified Franz diffusion cells were determined gravimetrically. The diffusion cells were positioned either on a laboratory bench top or in a controlled position in a fume hood, simulating indoor and outdoor environments, respectively. A data set of 54 observations (34 skin and 20 glass) was assembled and subjected to a correlation analysis employing 5 evaporative mass transfer relationships drawn from the literature. Models developed by Nielsen et al. (Prediction of isothermal evaporation rates of pure volatile organic compounds in occupational environments: a theoretical approach based on laminar boundary layer theory. Ann Occup Hyg 1995;39:497-511.) and the U.S. Environmental Protection Agency (Peress, Estimate evaporative losses from spills. Chem Eng Prog 2003; April: 32-34.) were found to be the most effective at correlating observed and calculated evaporation rates under the various conditions. The U.S. EPA model was selected for further use based on its simplicity. This is a turbulent flow model based only on vapor pressure and molecular weight of the VOC and the effective air flow rate u. Optimum values of u for the two laboratory environments studied were 0.23 m s(-1) (bench top) and 0.92 m s(-1) (fume hood).

  4. Development and mining of a volatile organic compound database.

    Science.gov (United States)

    Abdullah, Azian Azamimi; Altaf-Ul-Amin, Md; Ono, Naoaki; Sato, Tetsuo; Sugiura, Tadao; Morita, Aki Hirai; Katsuragi, Tetsuo; Muto, Ai; Nishioka, Takaaki; Kanaya, Shigehiko

    2015-01-01

    Volatile organic compounds (VOCs) are small molecules that exhibit high vapor pressure under ambient conditions and have low boiling points. Although VOCs contribute only a small proportion of the total metabolites produced by living organisms, they play an important role in chemical ecology specifically in the biological interactions between organisms and ecosystems. VOCs are also important in the health care field as they are presently used as a biomarker to detect various human diseases. Information on VOCs is scattered in the literature until now; however, there is still no available database describing VOCs and their biological activities. To attain this purpose, we have developed KNApSAcK Metabolite Ecology Database, which contains the information on the relationships between VOCs and their emitting organisms. The KNApSAcK Metabolite Ecology is also linked with the KNApSAcK Core and KNApSAcK Metabolite Activity Database to provide further information on the metabolites and their biological activities. The VOC database can be accessed online.

  5. 78 FR 11119 - Air Quality: Revision to Definition of Volatile Organic Compounds-Exclusion of trans

    Science.gov (United States)

    2013-02-15

    ... AGENCY 40 CFR Part 51 RIN 2060-AQ38 Air Quality: Revision to Definition of Volatile Organic Compounds...: Proposed rule. SUMMARY: The EPA is proposing to revise the definition of volatile organic compounds (VOCs..., Reporting and recordkeeping requirements, Volatile organic compounds. Dated: February 4, 2013. Lisa...

  6. Approach to predict partitioning of organic compounds from air into airborne particulate

    Institute of Scientific and Technical Information of China (English)

    SUN Cong; FENG Liu

    2005-01-01

    Based on the theoretical linear solvation energy relationship and quantum chemical descriptors computed by AM1 Hamiltonian, a new approach was developed to predict the partitioning of some organic compounds between the airborne particulate and air. It could be successfully used to study the partitioning of organic compounds from air into airborne particulate, and evaluate the potential risk of organic compounds.

  7. Mineral Associated Organic Matter: Plant Litter Compounds or Microbial Material?

    Science.gov (United States)

    Rumpel, C.

    2014-12-01

    Mineral interaction may affect the stabilisation of plant litter directly or indirectly after microbial decomposition and transformation. The importance of both organic matter sources may vary within the soil profile. This talk will synthesize recent work on the composition of mineral associated material in top- as well as subsoil horizons. We used density fractionation to isolate the mineral-associated fraction and characterised their composition by elemental analyses, NMR spectroscopy, analytical pyrolysis as well as nanoSIMS. Our results showed enrichment of mineral associated organic matter in subsoil horizons. However, material derived from new plant litter may be stabilised at similar rates in top- and subsoil horizons. N-containing compounds are enriched in the mineral associated fraction of subsoil horizons, indicating enrichment of microbial derived material with depth. Nano scale analyses showed that indeed plant-derived material may be associated with metal oxides in topsoil horizons, whereas the mineral associated organic matter in subsoil horizons may consist of microbial cells. Our results indicate that the nature of OM stabilised by mineral interactions is depth specific. Therefore, we suggest, that plant derived lignocellulosic material may be preserved by mineral interactions in topsoil given its incomplete degradation, thereby leading to the formation of functional groups and favouring adsorption to soil minerals. This is consistent with the higher state of lignin-degradation observed in topsoil horizons as compared to subsoil. At depth, where microorganisms are most likely energy limited, degradation of fresh plant litter may be complete, thereby diminishing the formation of lignocellulosic compounds capable of sorption onto metal oxides. As a result stabilised OM may consist primarily of microbial cells. Thus our study is consistent with the microbial efficiency-matrix stabilisation (MEMS) hypothesis, which says that microbial use efficiency

  8. Volatile organic compound emissions from Larrea tridentata (creosotebush)

    Science.gov (United States)

    Jardine, K.; Abrell, L.; Kurc, S. A.; Huxman, T.; Ortega, J.; Guenther, A.

    2010-12-01

    We present results from the CREosote ATmosphere Interactions through Volatile Emissions (CREATIVE 2009) field study in southern Arizona aimed at quantifying emission rates of VOCs from creosotebush (Larrea tridentata) during the summer 2009 monsoon season. This species was chosen because of its vast distribution in North and South American deserts and because its resins have been reported to contain a rich set of volatile organic compounds (VOC). While a variety of ecosystems have been investigated for VOC emissions, deserts remain essentially unstudied, partially because of their low biomass densities and water limitations. However, during the North American monsoon, a pronounced increase in rainfall from an extremely dry June (80 mm) occurs over large areas of the Sonoran desert in the southwestern United States and northwestern Mexico. We observed a strong diurnal pattern of branch emissions and ambient concentrations of an extensive suite of VOCs with maxima in early afternoon. These include VOCs typically observed in forest sites (oxygenated VOCs and volatile isoprenoids) as well as a large number of other compounds, some of which have not been previously described from any plant including 1-chloro-2-methoxy-benzene and isobutyronitrile. Although generally considered to be derived from anthropogenic sources, we observed emissions of aromatic compounds including benzene, and a broad range of phenolics. Dimethyl sulfide emissions from creosotebush were higher than reported from any previously studied plant suggesting that terrestrial ecosystems should be reconsidered as an important source of this climatically important gas. We also present direct, primary emission measurements of isoprene and its apparent oxidation products methyl vinyl ketone, methacrolein, and 3-methyl furan (the later three compounds are typically assumed to form from secondary reactions within the atmosphere), as well as a group of compounds considered to be fatty acid oxidation products

  9. Volatile organic compound emissions from Larrea tridentata (creosotebush

    Directory of Open Access Journals (Sweden)

    J. Ortega

    2010-07-01

    Full Text Available The emission of Volatile Organic Compounds (VOCs from plants impacts both climate and air quality by fueling atmospheric chemistry and by contributing to aerosol particles. While a variety of ecosystems have been investigated for VOC emissions, deserts remain essentially unstudied, partially because of their low biomass densities and water limitations. However, during the North American monsoon, a pronounced increase in rainfall from an extremely dry June (<5 mm precipitation to a rainy July (>80 mm occurs over large areas of the Sonoran desert in the Southwestern United States and Northwestern Mexico. We present results from the CREosote ATmosphere Interactions through Volatile Emissions (CREATIVE 2009 field study in Southern Arizona aimed at quantifying emission rates of VOCs from creosotebush (Larrea tridentata during the summer 2009 monsoon season. This species was chosen because of its vast distribution in North and South American deserts and because its resins have been reported to contain a rich set of VOCs. We observed a strong diurnal pattern with branch emissions and ambient concentrations of an extensive suite of VOCs with maxima in early afternoon. These include VOCs typically observed in forest sites (oxygenated VOCs and volatile isoprenoids as well as a large number of other compounds, some of which have not been previously described from any plant including 1-chloro-2-methoxy-benzene and isobutyronitrile. Although generally considered to be derived from anthropogenic sources, we observed emissions of aromatic compounds including benzene, and a broad range of phenolics. Dimethyl sulfide emissions from creosotebush were higher than reported from any previously studied plant suggesting that terrestrial ecosystems should be reconsidered as an important source of this climatically important gas. We also present direct, primary emission measurements of isoprene and its apparent oxidation products methyl vinyl ketone, methacrolein, and 3

  10. Volatile organic compound emissions from Larrea tridentata (creosotebush

    Directory of Open Access Journals (Sweden)

    A. Guenther

    2010-12-01

    Full Text Available We present results from the CREosote ATmosphere Interactions through Volatile Emissions (CREATIVE 2009 field study in southern Arizona aimed at quantifying emission rates of VOCs from creosotebush (Larrea tridentata during the summer 2009 monsoon season. This species was chosen because of its vast distribution in North and South American deserts and because its resins have been reported to contain a rich set of volatile organic compounds (VOC. While a variety of ecosystems have been investigated for VOC emissions, deserts remain essentially unstudied, partially because of their low biomass densities and water limitations. However, during the North American monsoon, a pronounced increase in rainfall from an extremely dry June (80 mm occurs over large areas of the Sonoran desert in the southwestern United States and northwestern Mexico. We observed a strong diurnal pattern of branch emissions and ambient concentrations of an extensive suite of VOCs with maxima in early afternoon. These include VOCs typically observed in forest sites (oxygenated VOCs and volatile isoprenoids as well as a large number of other compounds, some of which have not been previously described from any plant including 1-chloro-2-methoxy-benzene and isobutyronitrile. Although generally considered to be derived from anthropogenic sources, we observed emissions of aromatic compounds including benzene, and a broad range of phenolics. Dimethyl sulfide emissions from creosotebush were higher than reported from any previously studied plant suggesting that terrestrial ecosystems should be reconsidered as an important source of this climatically important gas. We also present direct, primary emission measurements of isoprene and its apparent oxidation products methyl vinyl ketone, methacrolein, and 3-methyl furan (the later three compounds are typically assumed to form from secondary reactions within the atmosphere, as well as a group of compounds considered to be fatty acid

  11. Effects of Si-doping on structural, electrical, and optical properties of polar and non-polar AlGaN epi-layers

    Science.gov (United States)

    Yang, Hongquan; Zhang, Xiong; Wang, Shuchang; Wang, Yi; Luan, Huakai; Dai, Qian; Wu, Zili; Zhao, Jianguo; Cui, Yiping

    2016-08-01

    The polar (0001)-oriented c-plane and non-polar (11 2 bar 0) -oriented a-plane wurtzite AlGaN epi-layers were successfully grown on polar (0001)-oriented c-plane and semi-polar (1 1 bar 02) -oriented r-plane sapphire substrates, respectively with various Si-doping levels in a low pressure metal organic chemical vapor deposition (MOCVD) system. The morphological, structural, electrical, and optical properties of the polar and non-polar AlGaN epi-layers were studied with scanning electron microscopy (SEM), X-ray diffraction (XRD), Hall effect, and Raman spectroscopy. The characterization results show that Si dopants incorporated into the polar and non-polar AlGaN films induced a relaxation of compressive residual strain and a generation of biaxial tensile strain on the surface in consequence of the dislocation climbing. In particular, it was found that the Si-induced compressive strain relaxation in the non-polar AlGaN samples can be promoted by the structural anisotropy as compared with the polar counterparts. The gradually increased relaxation of compressive residual strain in both polar and non-polar AlGaN samples with increasing Si-doping level was attributed to the Si-induced enhancement in the opportunity for the dislocations to interact and annihilate. This implies that the crystal quality for both polar and non-polar AlGaN epi-layers can be remarkably improved by Si-doping.

  12. Nitrogen Containing Organic Compounds and Oligomers in Secondary Organic Aerosol Formed by Photooxidation of Isoprene

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Tran B.; Laskin, Julia; Laskin, Alexander; Nizkorodov, Serguei

    2011-07-06

    Electrospray ionization high-resolution mass spectrometry (ESI HR-MS) was used to probe molecular structures of oligomers in secondary organic aerosol (SOA) generated in laboratory experiments on isoprene photooxidation at low- and high-NOx conditions. Up to 80-90% of the observed products are oligomers and up to 33% are nitrogen-containing organic compounds (NOC). We observe oligomers with up to 8 monomer units in length. Tandem mass spectrometry (MSn) confirms NOC compounds are organic nitrates and elucidates plausible chemical building blocks contributing to oligomer formation. Most organic nitrates are comprised of methylglyceric acid units. Other important multifunctional C2-C5 monomer units are identified including methylglyoxal, hydroxyacetone, hydroxyacetic acid, glycolaldehyde, and 2-methyltetrols. The majority of the NOC oligomers contain only one nitrate moiety resulting in a low average N:C ratio of 0.019. Average O:C ratios of the detected SOA compounds are 0.54 under the low-NOx conditions and 0.83 under the high-NOx conditions. Our results underscore the importance of isoprene photooxidation as a source of NOC in organic particulate matter.

  13. Catabolism of volatile organic compounds influences plant survival.

    Science.gov (United States)

    Oikawa, Patricia Y; Lerdau, Manuel T

    2013-12-01

    Plants emit a diverse array of phytogenic volatile organic compounds (VOCs). The production and emission of VOCs has been an important area of research for decades. However, recent research has revealed the importance of VOC catabolism by plants and VOC degradation in the atmosphere for plant growth and survival. Specifically, VOC catabolism and degradation have implications for plant C balance, tolerance to environmental stress, plant signaling, and plant-atmosphere interactions. Here we review recent advances in our understanding of VOC catabolism and degradation, propose experiments for investigating VOC catabolism, and suggest ways to incorporate catabolism into VOC emission models. Improving our knowledge of VOC catabolism and degradation is crucial for understanding plant metabolism and predicting plant survival in polluted environments.

  14. Method for spiking soil samples with organic compounds

    DEFF Research Database (Denmark)

    Brinch, Ulla C; Ekelund, Flemming; Jacobsen, Carsten S

    2002-01-01

    We examined the harmful side effects on indigenous soil microorganisms of two organic solvents, acetone and dichloromethane, that are normally used for spiking of soil with polycyclic aromatic hydrocarbons for experimental purposes. The solvents were applied in two contamination protocols to either...... higher than in control soil, probably due mainly to release of predation from indigenous protozoa. In order to minimize solvent effects on indigenous soil microorganisms when spiking native soil samples with compounds having a low water solubility, we propose a common protocol in which the contaminant...... the whole soil sample or 25% of the soil volume, which was subsequently mixed with 75% untreated soil. For dichloromethane, we included a third protocol, which involved application to 80% of the soil volume with or without phenanthrene and introduction of Pseudomonas fluorescens VKI171 SJ132 genetically...

  15. Distribution of volatile organic compounds in Madrid (Spain)

    Energy Technology Data Exchange (ETDEWEB)

    Perez-Pastor, R.M.; Garcia-Alonso, S.; Quejido Cabezas, A.J. [CIEMAT, Madrid (Spain)

    1999-07-01

    From November 1995 to October 1996, airborne concentrations of VOCs were measured in the Madrid area to study the organic pollution in general, and the correlation between different pollutants in relation to such parameters as location and season. Mean concentrations for up to 90 compounds were measured at four test sites, including both urban and suburban areas. At the urban sites, maximum concentrations occurred in the autumn and winter, whereas minimum concentrations were reached in summer and spring. Similar changes were obtained for the less-contaminated site located in the SE of the city, whereas a different pattern was found at the site in the NW of the city due to meteorological aspects. Mean levels of hydrocarbons in Madrid were quite similar to those found in other European cities. Chemometrical techniques were applied to the set of data in order to assess the influence of such factors as traffic, temperature and seasonal variations on the VOC levels. (orig.)

  16. Volatile Organic Compound Emissions from Dairy Facilities in Central California

    Science.gov (United States)

    Hasson, A. S.; Ogunjemiyo, S. O.; Trabue, S.; Middala, S. R.; Ashkan, S.; Scoggin, K.; Vu, K. K.; Addala, L.; Olea, C.; Nana, L.; Scruggs, A. K.; Steele, J.; Shelton, T. C.; Osborne, B.; McHenry, J. R.

    2011-12-01

    Emissions of volatile organic compounds (VOCs) from dairy facilities are thought to be an important contributor to high ozone levels in Central California, but emissions inventories from these sources contain significant uncertainties. In this work, VOC emissions were measured at two Central California dairies during 2010 and 2011. Isolation flux chambers were used to measure direct emissions from specific dairy sources, and upwind/downwind ambient profiles were measured from ground level up to heights of 60 m. Samples were collected using a combination of canisters and sorbent tubes, and were analyzed by GC-MS. Additional in-situ measurements were made using infra-red photoaccoustic detectors and Diode Laser Absorption Spectroscopy. Temperature and ozone profiles up to 250 m above ground level were also measured using a tethersonde. Substantial fluxes of a number of VOCs including alcohols, volatile fatty acids and esters were observed at both sites. Implications of these measurements for regional air quality will be discussed.

  17. Organic nitrate aerosol formation via NO3 + biogenic volatile organic compounds in the southeastern United States

    Science.gov (United States)

    Ayres, B. R.; Allen, H. M.; Draper, D. C.; Brown, S. S.; Wild, R. J.; Jimenez, J. L.; Day, D. A.; Campuzano-Jost, P.; Hu, W.; de Gouw, J.; Koss, A.; Cohen, R. C.; Duffey, K. C.; Romer, P.; Baumann, K.; Edgerton, E.; Takahama, S.; Thornton, J. A.; Lee, B. H.; Lopez-Hilfiker, F. D.; Mohr, C.; Wennberg, P. O.; Nguyen, T. B.; Teng, A.; Goldstein, A. H.; Olson, K.; Fry, J. L.

    2015-12-01

    Gas- and aerosol-phase measurements of oxidants, biogenic volatile organic compounds (BVOCs) and organic nitrates made during the Southern Oxidant and Aerosol Study (SOAS campaign, Summer 2013) in central Alabama show that a nitrate radical (NO3) reaction with monoterpenes leads to significant secondary aerosol formation. Cumulative losses of NO3 to terpenes are correlated with increase in gas- and aerosol-organic nitrate concentrations made during the campaign. Correlation of NO3 radical consumption to organic nitrate aerosol formation as measured by aerosol mass spectrometry and thermal dissociation laser-induced fluorescence suggests a molar yield of aerosol-phase monoterpene nitrates of 23-44 %. Compounds observed via chemical ionization mass spectrometry (CIMS) are correlated to predicted nitrate loss to BVOCs and show C10H17NO5, likely a hydroperoxy nitrate, is a major nitrate-oxidized terpene product being incorporated into aerosols. The comparable isoprene product C5H9NO5 was observed to contribute less than 1 % of the total organic nitrate in the aerosol phase and correlations show that it is principally a gas-phase product from nitrate oxidation of isoprene. Organic nitrates comprise between 30 and 45 % of the NOy budget during SOAS. Inorganic nitrates were also monitored and showed that during incidents of increased coarse-mode mineral dust, HNO3 uptake produced nitrate aerosol mass loading at a rate comparable to that of organic nitrate produced via NO3 + BVOCs.

  18. Biogenic Emissions of Volatile Organic Compounds by Urban Forests

    Institute of Scientific and Technical Information of China (English)

    CENTRITTOMauro; LIUShirong; LORETOFrancesco

    2005-01-01

    All plants emit a wide range of volatile compounds, the so-called biogenic volatile organic compounds (BVOC). BVOC emissions have received increased scientific attention in the last two decades because they may profoundly influence the chemical and physical properties of the atmosphere, and may modulate plant tolerance to heat, pollutants, oxidative stress and abiotic stresses, and affect plant-plant and plant-insect interactions. Urban forestry may have a high impact on atmospheric composition, air quality, environment,and quality of life in urban areas. However, few studies have been carried out where the emission of BVOC could have important consequence for the quality of air and contribute to pollution episodes. A screening of BVOC emission by the mixed stand constituting urban forests is therefore required if emissions are to be reliably predicted. Monitoring the emission rates simultaneously with measurements of air quality, plant physiology and micrometeorology on selected urban forests, will allow detailed quantitative information on the inventory of BVOC emissions by urban vegetation to be compiled. This information will make it possible to propose an innovative management of urban vegetation in cities characterised by heavy emissions of anthropogenic pollutants, aiming at the abatement of BVOC emissions through the introduction or selection of non-BVOC emitting species in urban areas subjected to pollution episodes and in the new afforestation areas covering peri-urban parks, green belts and green corridors between peri-urban rural areas and the conurbations.

  19. Multifunctional slow-release organic-inorganic compound fertilizer.

    Science.gov (United States)

    Ni, Boli; Liu, Mingzhu; Lü, Shaoyu; Xie, Lihua; Wang, Yanfang

    2010-12-08

    Multifunctional slow-release organic-inorganic compound fertilizer (MSOF) has been investigated to improve fertilizer use efficiency and reduce environmental pollution derived from fertilizer overdosage. The special fertilizer is based on natural attapulgite (APT) clay used as a matrix, sodium alginate used as an inner coating and sodium alginate-g-poly(acrylic acid-co-acrylamide)/humic acid (SA-g-P(AA-co-AM)/HA) superabsorbent polymer used as an outer coating. The coated multielement compound fertilizer granules were produced in a pan granulator, and the diameter of the prills was in the range of 2.5-3.5 mm. The structural and chemical characteristics of the product, as well as its efficiency in slowing the nutrients release, were examined. In addition, a mathematical model for nutrient release from the fertilizer was applied to calculate the diffusion coefficient D of nutrients in MSOF. The degradation of the SA-g-P(AA-co-AM)/HA coating was assessed by examining the weight loss with incubation time in soil. It is demonstrated that the product prepared by a simple route with good slow-release property may be expected to have wide potential applications in modern agriculture and horticulture.

  20. Organically modified hydrotalcite for compounding and spinning of polyethylene nanocomposites

    Directory of Open Access Journals (Sweden)

    L. Fambri

    2013-11-01

    Full Text Available Organically modified hydrotalcite is a recent class of organoclay based on layered double hydroxides (LDH, which is anionically modified with environmental friendly ligands such as fatty acids. In this paper the influence of hydrotalcite compounded/dispersed by means of two different processes for production of plates and fibers of polyolefin nanocomposites will be compared. A polyethylene matrix, suitable for fiber production, was firstly compounded with various amounts of hydrotalcite in the range of 0.5–5% by weight, and then compression moulded in plates whose thermomechanical properties were evaluated. Similar compositions were processed by using a co-rotating twin screw extruder in order to directly produce melt-spun fibers. The incorporation of clay into both bulk and fiber nanocomposites enhanced the thermal stability and induced heterogeneous nucleation of polyethylene crystals. Hydrotalcite manifested a satisfactory dispersion into the polymer matrix, and hence positively affected the mechanical properties in term of an increase of both Young’s modulus and tensile strength. Tenacity of nanocomposite as spun fibers was increased up to 30% with respect to the neat polymer. Moreover, the addition of LDH filler induced an increase of the tensile modulus of drawn fibers from 5.0 GPa (neat HDPE up to 5.6–5.8 GPa.

  1. Diurnal characteristics of volatile organic compounds in the Seoul atmosphere

    Science.gov (United States)

    Na, Kwangsam; Kim, Yong Pyo; Moon, Kil Choo

    Concentrations of volatile organic compounds (VOCs) were measured at a site in central Seoul from 8 to 13 September 1998. On each sampling day, three 2-h-integrated canister samples were collected in the morning, afternoon and evening, respectively, to observe diural variations of VOCs. Most of the VOCs species showed diurnal variations with higher concentrations during the morning and evening, and lower concentrations during the afternoon. However, in the afternoon, the concentrations of aromatic compounds, closely correlated with solvent usage such as toluene, ethylbenzene, m-/p-xylene, and o-xylene, were slightly higher than or comparable to those in the morning. This may be due to the increase of evaporative emissions derived from the rise in ambient temperature and additional sources such as the use of solvents in painting, printing and dry cleaning. To estimate the participation of individual VOCs in ozone formation, propylene equivalent concentrations were calculated. The results showed that toluene was the most dominant contributor to ozone formation as well as ambient VOC concentrations. Toluene/benzene and m-/ p-xylene/benzene ratios showed a high observed in the afternoon and a low observed in the morning and evening. This may be because the contribution of evaporative emissions by solvent usage on the ambient VOC concentrations is more dominant than those of vehicle-related emissions and photochemical loss.

  2. Emission characteristics of volatile organic compounds from semiconductor manufacturing.

    Science.gov (United States)

    Chein, HungMin; Chen, Tzu Ming

    2003-08-01

    A huge amount of volatile organic compounds (VOCs) is produced and emitted with waste gases from semiconductor manufacturing processes, such as cleaning, etching, and developing. VOC emissions from semiconductor factories located at Science-Based Industrial Park, Hsin-chu, Taiwan, were measured and characterized in this study. A total of nine typical semiconductor fabricators (fabs) were monitored over a 12-month period (October 2000-September 2001). A flame ionization analyzer was employed to measure the VOC emission rate continuously in a real-time fashion. The amount of chemical use was adopted from the data that were reported to the Environmental Protection Bureau in Hsin-chu County as per the regulation of the Taiwan Environmental Protection Administration. The VOC emission factor, defined as the emission rate (kg/month) divided by the amount of chemical use (L/month), was determined to be 0.038 +/- 0.016 kg/L. A linear regression equation is proposed to fit the data with the correlation coefficient (R2)=0.863. The emission profiles of VOCs, which were drawn using the gas chromatograph/mass spectrometer analysis method, show that isopropyl alcohol is the dominant compound in most of the fabs.

  3. Constituents of volatile organic compounds of evaporating essential oil

    Science.gov (United States)

    Chiu, Hua-Hsien; Chiang, Hsiu-Mei; Lo, Cho-Ching; Chen, Ching-Yen; Chiang, Hung-Lung

    2009-12-01

    Essential oils containing aromatic compounds can affect air quality when used indoors. Five typical and popular essential oils—rose, lemon, rosemary, tea tree and lavender—were investigated in terms of composition, thermal characteristics, volatile organic compound (VOC) constituents, and emission factors. The activation energy was 6.3-8.6 kcal mol -1, the reaction order was in the range of 0.6-0.8, and the frequency factor was 0.01-0.24 min -1. Toluene, 1,2,3-trimethylbenzene, 1,2,4-trimethylbenzene, n-undecane, p-diethylbenzene and m-diethylbenzene were the predominant VOCs of evaporating gas of essential oils at 40 °C. In addition, n-undecane, p-diethylbenzene, 1,2,4-trimethylbenzene, m-diethylbenzene, and 1,2,3-trimethylbenzene revealed high emission factors during the thermogravimetric (TG) analysis procedures. The sequence of the emission factors of 52 VOCs (137-173 mg g -1) was rose ≈ rosemary > tea tree ≈ lemon ≈ lavender. The VOC group fraction of the emission factor of aromatics was 62-78%, paraffins were 21-37% and olefins were less than 1.5% during the TG process. Some unhealthy VOCs such as benzene and toluene were measured at low temperature; they reveal the potential effect on indoor air quality and human health.

  4. APPLICATION OF ORGANIC SULFUR COMPOUNDS FOR PETROLEUM REFINING PROCESSES

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The effects of sulfur compound PTMP and metal naphthenates on the conversion of the atmospheric residue to light oil and on the coke formation were investigated by carrying out thermal decomposition in a tubular type reactor. When 100 μg/g of PTMP was added to residue, gas oil yield increased, but the effect was not significant. However, the coke deposition in the reactor was reduced by the addition of PTMP. When 100 μg/g of ferric naphthenate was added, the significant effect was observed on the gas oil increase. However, the coke deposition was enhanced with the increase of gas oil yield by the addition of ferric naphthenate. Both of the increase in gas oil yield and the reduction of coke formation were observed when PTMP (1000 μg/g) and ferric naphthenate (100 μg/g) were simultaneously used. By the addition of the organic sulfur compound, the formation of the coke produced by the recombination of hydrocarbon redicals yielded by thermal decomposition was suppressed. The advantage of this method is that the construction of new equipment is not required and it enables the increase in the light oil fraction of residual oil by using the existing units.

  5. Volatile organic compounds in fourteen U.S. retail stores.

    Science.gov (United States)

    Nirlo, E L; Crain, N; Corsi, R L; Siegel, J A

    2014-10-01

    Retail buildings have a potential for both short-term (customer) and long-term (occupational) exposure to indoor pollutants. However, little is known about volatile organic compound (VOC) concentrations in the retail sector and influencing factors, such as ventilation, in-store activities, and store type. We measured VOC concentrations and ventilation rates in 14 retail stores in Texas and Pennsylvania. With the exception of formaldehyde and acetaldehyde, VOCs were present in retail stores at concentrations well below health guidelines. Indoor formaldehyde concentrations ranged from 4.6 ppb to 67 ppb. The two mid-sized grocery stores in the sample had the highest levels of ethanol and acetaldehyde, with concentrations up to 2.6 ppm and 92 ppb, respectively, possibly due to the preparation of dough and baking activities. Indoor-to-outdoor concentration ratios indicated that indoor sources were the main contributors to indoor VOC concentrations for the majority of compounds. There was no strong correlation between ventilation and VOC concentrations across all stores. However, increasing the air exchange rates at two stores led to lower indoor VOC concentrations, suggesting that ventilation can be used to reduce concentrations for some specific stores.

  6. Modeling secondary organic aerosol formation through cloud processing of organic compounds

    Directory of Open Access Journals (Sweden)

    J. Chen

    2007-06-01

    Full Text Available Interest in the potential formation of secondary organic aerosol (SOA through reactions of organic compounds in condensed aqueous phases is growing. In this study, the potential formation of SOA from irreversible aqueous-phase reactions of organic species in clouds was investigated. A new proposed aqueous-phase chemistry mechanism (AqChem is coupled with the existing gas-phase Caltech Atmospheric Chemistry Mechanism (CACM and the Model to Predict the Multiphase Partitioning of Organics (MPMPO that simulate SOA formation. AqChem treats irreversible organic reactions that lead mainly to the formation of carboxylic acids, which are usually less volatile than the corresponding aldehydic compounds. Zero-dimensional model simulations were performed for tropospheric conditions with clouds present for three consecutive hours per day. Zero-dimensional model simulations show that 48-h averaged SOA formation are increased by 27% for a rural scenario with strong monoterpene emissions and 7% for an urban scenario with strong emissions of aromatic compounds, respectively, when irreversible organic reactions in clouds are considered. AqChem was also incorporated into the Community Multiscale Air Quality Model (CMAQ version 4.4 with CACM/MPMPO and applied to a previously studied photochemical episode (3–4 August 2004 focusing on the eastern United States. The CMAQ study indicates that the maximum contribution of SOA formation from irreversible reactions of organics in clouds is 0.28 μg m−3 for 24-h average concentrations and 0.60 μg m−3 for one-hour average concentrations at certain locations. On average, domain-wide surface SOA predictions for the episode are increased by 8.6% when irreversible, in-cloud processing of organics is considered.

  7. Emissions of biogenic volatile organic compounds & their photochemical transformation

    Science.gov (United States)

    Yu, Zhujun; Hohaus, Thorsten; Tillmann, Ralf; Andres, Stefanie; Kuhn, Uwe; Rohrer, Franz; Wahner, Andreas; Kiendler-Scharr, Astrid

    2015-04-01

    Natural and anthropogenic activities emit volatile organic compounds (VOC) into the atmosphere. While it is known that land vegetation accounts for 90% of the global VOC emissions, only a few molecules' emission factors are understood. Through VOCs atmospheric oxidation intermediate products are formed. The detailed chemical mechanisms involved are insufficiently known to date and need to be understood for air quality management and climate change predictions. In an experiment using a PTR-ToF-MS with the new-built plant chamber SAPHIR-PLUS in Forschungszentrum Juelich, biogenic emissions of volatile organic compounds (BVOC) from Quercus ilex trees were measured. The BVOC emissions were dominated by monoterpenes, minor emissions of isoprene and methanol were also observed with the overall emission pattern typical for Quercus ilex trees in the growing season. Monoterpenes and isoprene emissions showed to be triggered by light. Additionally, their emissions showed clear exponential temperature dependence under constant light condition as reported in literature. As a tracer for leaf growth, methanol emission showed an abrupt increase at the beginning of light exposure. This is explained as instantaneous release of methanol produced during the night once stomata of leaves open upon light exposure. Emission of methanol showed a near linear increase with temperature in the range of 10 to 35 °C. BVOC were transferred from the plant chamber PLUS to the atmospheric simulation chamber SAPHIR, where their oxidation products from O3 oxidation were measured with PTR-ToF-MS. Gas phase oxidation products such as acetone and acetaldehyde were detected. A quantitative analysis of the data will be presented, including comparison of observations to the Master Chemical Mechanism model.

  8. Measurement of loss rates of organic compounds in snow using in situ experiments and isotopically labelled compounds

    Directory of Open Access Journals (Sweden)

    Erika von Schneidemesser

    2012-07-01

    Full Text Available Organic molecular marker compounds are widely used to identify emissions from anthropogenic and biogenic air pollution sources in atmospheric samples and in deposition. Specific organic compounds have been detected in polar regions, but their fate after deposition to snow is poorly characterized. Within this context, a series of exposure experiments were carried out to observe the post-depositional processing of organic compounds under real-world conditions in snow on the surface of the Greenland Ice Sheet, at the Summit research station. Snow was prepared from water spiked with isotopically labelled organic compounds, representative of typical molecular marker compounds emitted from anthropogenic activities. Reaction rate constants and reaction order were determined based on a decrease in concentration to a stable, non-zero, threshold concentration. Fluoranthene-d10, docosane-d46, hexadecanoic acid-d31, docosanoic acid-d43 and azelaic acid-d14 were estimated to have first order loss rates within surface snow with reaction rate constants of 0.068, 0.040, 0.070, 0.067 and 0.047 h−1, respectively. No loss of heptadecane-d36 was observed. Overall, these results suggest that organic contaminants are archived in polar snow, although significant post-depositional losses of specific organic compounds occur. This has implications for the environmental fate of organic contaminants, as well as for ice-core studies that seek to use organic molecular markers to infer past atmospheric loadings, and source emissions.

  9. Exchange of volatile organic compounds in the boreal forest floor

    Science.gov (United States)

    Aaltonen, Hermanni; Bäck, Jaana; Pumpanen, Jukka; Pihlatie, Mari; Hakola, Hannele; Hellén, Heidi; Aalto, Juho; Heinonsalo, Jussi; Kajos, Maija K.; Kolari, Pasi; Taipale, Risto; Vesala, Timo

    2013-04-01

    Terrestrial ecosystems, mainly plants, emit large amounts of volatile organic compounds (VOCs) into the atmosphere. In addition to plants, VOCs also have less-known sources, such as soil. VOCs are a very diverse group of reactive compounds, including terpenoids, alcohols, aldehydes and ketones. Due to their high reactivity, VOCs take part in formation and growth of secondary organic aerosols in the atmosphere and thus affect also Earth's radiation balance (Kulmala et al. 2004). We have studied boreal soil and forest floor VOC fluxes with chamber and snow gradient techniques we were developed. Spatial and temporal variability in VOC fluxes was studied with year-round measurements in the field and the sources of boreal soil VOCs in the laboratory with fungal isolates. Determination of the compounds was performed mass spectrometrically. Our results reveal that VOCs from soil are mainly emitted by living roots, above- and belowground litter and microbes. The strongest source appears to be litter, in which both plant residuals and decomposers play a role in the emissions. Soil fungi showed high emissions of lighter VOCs, like acetone, acetaldehyde and methanol, from isolates. Temperature and moisture are the most critical physical factors driving VOC fluxes. Since the environment in boreal forests undergoes strong seasonal changes, the VOC flux strength of the forest floor varies markedly during the year, being highest in spring and autumn. The high spatial heterogeneity of the forest floor was also clearly visible in VOC fluxes. The fluxes of other trace gases (CO2, CH4 and N2O) from soil, which are also related to the soil biological activity and physical conditions, did not show correlations with the VOC fluxes. These results indicate that emissions of VOCs from the boreal forest floor account for as much as several tens of percent, depending on the season, of the total forest ecosystem VOC emissions. This emphasises that forest floor compartment should be taken into

  10. Field-usable portable analyzer for chlorinated organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Buttner, W.J.; Penrose, W.R.; Stetter, J.R. [Transducer Research, Inc., Naperville, IL (United States)

    1995-10-01

    Transducer Research, Inc. (TRI) has been working with the DOE Morgantown Energy Technology Center to develop a new chemical monitor based on a unique sensor which responds selectively to vapors of chlorinated solvents. We are also developing field applications for the monitor in actual DOE cleanup operations. During the initial phase, prototype instruments were built and field tested. Because of the high degree of selectivity that is obtained, no response was observed with common hydrocarbon organic compounds such as BTX (benzene, toluene, xylene) or POLs (petroleum, oil, lubricants), and in fact, no non-halogen-containing chemical has been identified which induces a measurable response. By the end of the Phase I effort, a finished instrument system was developed and test marketed. This instrument, called the RCL MONITOR, was designed to analyze individual samples or monitor an area with automated repetitive analyses. Vapor levels between 0 and 500 ppm can be determined in 90 s with a lower detection limit of 0.2 ppm using the handportable instrument. In addition to the development of the RCL MONITOR, advanced sampler systems are being developed to: (1) extend the dynamic range of the instrument through autodilution of the vapor and (2) allow chemical analyses to be performed on aqueous samples. When interfaced to the samplers, the RCL MONITOR is capable of measuring chlorinated solvent contamination in the vapor phase up to 5000 ppm and in water and other condensed media from 10 to over 10,000 ppb(wt)--without hydrocarbon and other organic interferences.

  11. Composition of the non-polar extracts and antimicrobial activity of Chorisia insignis HBK. leaves

    Directory of Open Access Journals (Sweden)

    Salma Ahmed Mahmoud El Sawi

    2014-12-01

    Full Text Available Objective: To investigate the chemical constituents of the petroleum ether extract and the ether fraction of the 70% ethanol extract of Chorisia insignis HBK. leaves, as well as screen its antimicrobial activity. Methods: Different chromatographic methods were applied to investigate the non-polar extracts and the diffusion assay method was applied to study the antimicrobial activity. Results: A total of 50 compounds from the unsaponifiable matter and 20 fatty acid methyl esters were identified from the petroleum ether extract by GC/MS analysis. n-Hentriacontane, n-tritriacontane, stigmastanol, 3-methoxy-5, 6-dihydrostigmasterol, 7,8-dihydroergosterol, 4-methylcholesterol, cholestanol, multiflorenol, cholest-5-en-3-one, cholest-6-one, 5,6- dihydroergosterol, stigmasterol, dihydroalbigenin and 11-methyl-Δ5,7,9,15,17,23-triacont-hex-ene were isolated from the petroleum ether extract. Methyl heptacosanoate and quinic acid ester of rhamnose were isolated from the ether fraction of the 70% ethanol extract. Antimicrobial activity of the total alcohol extract and the successive fractions showed that the ether and the ethyl acetate fractions have potent antibacterial activity against Bacillus subtilis and Bacillus cereus. Conclusions: The ether and the ethyl acetate fractions could be used in pharmaceutical formulations as antibacterial agents against Bacillus subtilis and Bacillus cereus, and further clinical trials should be performed in order to support the above investigations.

  12. Emission and Chemical Transformation of Biogenic Volatile Organic Compounds (echo)

    Science.gov (United States)

    Koppmann, R.; Hoffmann, T.; Kesselmeier, J.; Schatzmann, M.

    Forests are complex sources of biogenic volatile organic compounds (VOC) in the planetary boundary layer. The impact of biogenic VOC on tropospheric photochem- istry, air quality, and the formation of secondary products affects our climate on a regional and global scale but is far from being understood. A considerable lack of knowledge exists concerning a forest stand as a net source of reactive trace com- pounds, which are transported directly into the planetary boundary layer (PBL). In particular, little is known about the amounts of VOC which are processed within the canopy. The goal of ECHO, which is presented in this poster, is to investigate these questions and to improve our understanding of biosphere-atmosphere interactions and their effects on the PBL. The investigation of emissions, chemical processing and vertical transport of biogenic VOC will be carried out in and above a mixed forest stand in Jülich, Germany. A large set of trace gases, free radicals and meteorologi- cal parameters will be measured at different heights in and above the canopy, covering concentrations of VOC, CO, O3, organic nitrates und NOx as well as organic aerosols. For the first time concentration profiles of OH, HO2, RO2 und NO3 radicals will be measured as well together with the actinic UV radiation field and photolysis frequen- cies of all relevant radical precursors (O3, NO2, peroxides, oxygenated VOC). The different tasks of the field experiments will be supported by simulation experiments investigating the primary emission and the uptake of VOC by the plants in stirred tank reactors, soil parameters and soil emissions in lysimeter experiments, and the chem- ical processing of the trace gases as observed in and above the forest stand in the atmosphere simulation chamber SAPHIR. The planning and interpretation of the field experiments is supported by simulations of the field site in a wind tunnel.

  13. On the homogeneous and heterogeneous nucleation of some organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Hienola, A.

    2008-07-01

    The conversion of a metastable phase into a thermodynamically stable phase takes place via the formation of clusters. Clusters of different sizes are formed spontaneously within the metastable mother phase, but only those larger than a certain size, called the critical size, will end up growing into a new phase. There are two types of nucleation: homogeneous, where the clusters appear in a uniform phase, and heterogeneous, when pre-existing surfaces are available and clusters form on them. The nucleation of aerosol particles from gas-phase molecules is connected not only with inorganic compounds, but also with nonvolatile organic substances found in atmosphere. The question is which ones of the myriad of organic species have the right properties and are able to participate in nucleation phenomena. This thesis discusses both homogeneous and heterogeneous nucleation, having as theoretical tool the classical nucleation theory (CNT) based on thermodynamics. Different classes of organics are investigated. The members of the first class are four dicarboxylic acids (succinic, glutaric, malonic and adipic). They can be found in both the gas and particulate phases, and represent good candidates for the aerosol formation due to their low vapor pressure and solubility. Their influence on the nucleation process has not been largely investigated in the literature and it is not fully established. The accuracy of the CNT predictions for binary water-dicarboxylic acid systems depends significantly on the good knowledge of the thermophysical properties of the organics and their aqueous solutions. A large part of the thesis is dedicated to this issue. We have shown that homogeneous and heterogeneous nucleation of succinic, glutaric and malonic acids in combination with water is unlikely to happen in atmospheric conditions. However, it seems that adipic acid could participate in the nucleation process in conditions occurring in the upper troposphere. The second class of organics is

  14. 40 CFR Appendix Viii to Part 266 - Organic Compounds for Which Residues Must Be Analyzed

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 26 2010-07-01 2010-07-01 false Organic Compounds for Which Residues...—Organic Compounds for Which Residues Must Be Analyzed Volatiles Semivolatiles Benzene Bis(2-ethylhexyl... those compounds that do not have an established F039 nonwastewater concentration limit....

  15. Urinary Volatile Organic Compounds for the Detection of Prostate Cancer.

    Directory of Open Access Journals (Sweden)

    Tanzeela Khalid

    Full Text Available The aim of this work was to investigate volatile organic compounds (VOCs emanating from urine samples to determine whether they can be used to classify samples into those from prostate cancer and non-cancer groups. Participants were men referred for a trans-rectal ultrasound-guided prostate biopsy because of an elevated prostate specific antigen (PSA level or abnormal findings on digital rectal examination. Urine samples were collected from patients with prostate cancer (n = 59 and cancer-free controls (n = 43, on the day of their biopsy, prior to their procedure. VOCs from the headspace of basified urine samples were extracted using solid-phase micro-extraction and analysed by gas chromatography/mass spectrometry. Classifiers were developed using Random Forest (RF and Linear Discriminant Analysis (LDA classification techniques. PSA alone had an accuracy of 62-64% in these samples. A model based on 4 VOCs, 2,6-dimethyl-7-octen-2-ol, pentanal, 3-octanone, and 2-octanone, was marginally more accurate 63-65%. When combined, PSA level and these four VOCs had mean accuracies of 74% and 65%, using RF and LDA, respectively. With repeated double cross-validation, the mean accuracies fell to 71% and 65%, using RF and LDA, respectively. Results from VOC profiling of urine headspace are encouraging and suggest that there are other metabolomic avenues worth exploring which could help improve the stratification of men at risk of prostate cancer. This study also adds to our knowledge on the profile of compounds found in basified urine, from controls and cancer patients, which is useful information for future studies comparing the urine from patients with other disease states.

  16. Enhanced radiation tolerance of non-polar-terminated ZnO

    Science.gov (United States)

    Charnvanichborikarn, S.; Myers, M. T.; Shao, L.; Kucheyev, S. O.

    2013-12-01

    Room-temperature heavy-ion bombardment of polar (0001) ZnO leads to the formation of intermediate peak and step features in damage-depth profiles measured by ion channeling. Here, we show that these anomalous disorder effects are strongly suppressed for crystals with (112¯0) and (101¯0) non-polar surface terminations. Possible defect interaction scenarios responsible for the enhanced radiation tolerance of non-polar-terminated ZnO are discussed.

  17. Aqueous processing of organic compounds in carbonaceous asteroids

    Science.gov (United States)

    Trigo-Rodríguez, Josep Maria; Rimola, Albert; Martins, Zita

    2015-04-01

    There is growing evidence pointing towards a prebiotic synthesis of complex organic species in water-rich undifferentiated bodies. For instance, clays have been found to be associated with complex organic compounds (Pearson et al. 2002; Garvie & Buseck 2007; Arteaga et al. 2010), whereas theoretical calculations have studied the interaction between the organic species and surface minerals (Rimola et al., 2013) as well as surface-induced reactions (Rimola at al. 2007). Now, we are using more detailed analytical techniques to study the possible processing of organic molecules associated with the mild aqueous alteration in CR, CM and CI chondrites. To learn more about these processes we are studying carbonaceous chondrites at Ultra High-Resolution Transmission Electron Microscopy (UHR-TEM). We are particularly interested in the relationship between organics and clay minerals in carbonaceous chondrites (CCs) matrixes (Trigo-Rodríguez et al. 2014, 2015).We want to address two goals: i) identifying the chemical steps in which the organic molecules could have increased their complexity (i.e., surface interaction and catalysis); and ii) studying if the organic matter present in CCs experienced significant processing concomitant to the formation of clays and other minerals at the time in which these planetary bodies experienced aqueous alteration. Here, these two points are preliminarily explored combing experimental results with theoretical calculations based on accurate quantum mechanical methods. References Arteaga O, Canillas A, Crusats J, El-Hachemi Z, Jellison GE, Llorca J, Ribó JM (2010) Chiral biases in solids by effect of shear gradients: a speculation on the deterministic origin of biological homochirality. Orig Life Evol Biosph 40:27-40. Garvie LAJ, Buseck PR (2007) Prebiotic carbon in clays from Orgueil and Ivuna (CI) and Tagish lake (C2 ungrouped) meteorites. Meteorit Planet Sci 42:2111-2117. Pearson VK, Sephton MA, Kearsley AT, Bland AP, Franchi IA, Gilmour

  18. Attenuation of trace organic compounds (TOrCs) inbioelectrochemical systems

    KAUST Repository

    Werner, Craig M.

    2015-04-01

    Microbial fuel cells (MFCs) and microbial electrolysis cells (MECs) are two types of microbial bioelectrochemical systems (BESs) that use microorganisms to convert chemical energy in wastewaters into useful energy products such as (bio)electricity (MFC) or hydrogen gas (MEC). These two systems were evaluated for their capacity to attenuate trace organic compounds (TOrCs), commonly found in municipal wastewater, under closed circuit (current generation) and open circuit (no current generation) conditions, using acetate as the carbon source. A biocide was used to evaluate attenuation in terms of biotransformation versus sorption. The difference in attenuation observed before and after addition of the biocide represented biotransformation, while attenuation after addition of a biocide primarily indicated sorption. Attenuation of TOrCs was similar in MFCs and MECs for eight different TOrCs, except for caffeine and trimethoprim where slightly higher attenuation was observed in MECs. Electric current generation did not enhance attenuation of the TOrCs except for caffeine, which showed slightly higher attenuation under closed circuit conditions in both MFCs and MECs. Substantial sorption of the TOrCs occurred to the biofilm-covered electrodes, but no consistent trend could be identified regarding the physico-chemical properties of the TOrCs tested and the extent of sorption. The octanol-water distribution coefficient at pH 7.4 (log DpH 7.4) appeared to be a reasonable predictor for sorption of some of the compounds (carbamazepine, atrazine, tris(2-chloroethyl) phosphate and diphenhydramine) but not for others (N,N-Diethyl-meta-toluamide). Atenolol also showed high levels of sorption despite being the most hydrophilic in the suite of compounds studied (log DpH 7.4=-1.99). Though BESs do not show any inherent advantages over conventional wastewater treatment, with respect to TOrC removal, overall removals in BESs are similar to that reported for conventional wastewater

  19. Secondary organic aerosol formation from a large number of reactive man-made organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Derwent, Richard G., E-mail: r.derwent@btopenworld.com [rdscientific, Newbury, Berkshire (United Kingdom); Jenkin, Michael E. [Atmospheric Chemistry Services, Okehampton, Devon (United Kingdom); Utembe, Steven R.; Shallcross, Dudley E. [School of Chemistry, University of Bristol, Bristol (United Kingdom); Murrells, Tim P.; Passant, Neil R. [AEA Environment and Energy, Harwell International Business Centre, Oxon (United Kingdom)

    2010-07-15

    A photochemical trajectory model has been used to examine the relative propensities of a wide variety of volatile organic compounds (VOCs) emitted by human activities to form secondary organic aerosol (SOA) under one set of highly idealised conditions representing northwest Europe. This study applied a detailed speciated VOC emission inventory and the Master Chemical Mechanism version 3.1 (MCM v3.1) gas phase chemistry, coupled with an optimised representation of gas-aerosol absorptive partitioning of 365 oxygenated chemical reaction product species. In all, SOA formation was estimated from the atmospheric oxidation of 113 emitted VOCs. A number of aromatic compounds, together with some alkanes and terpenes, showed significant propensities to form SOA. When these propensities were folded into a detailed speciated emission inventory, 15 organic compounds together accounted for 97% of the SOA formation potential of UK man made VOC emissions and 30 emission source categories accounted for 87% of this potential. After road transport and the chemical industry, SOA formation was dominated by the solvents sector which accounted for 28% of the SOA formation potential.

  20. The influence of non-polar lipids on tear film dynamics

    KAUST Repository

    Bruna, M.

    2014-04-04

    © 2014 Cambridge University Press. In this paper we examine the effect that physiological non-polar lipids, residing on the surface of an aqueous tear film, have on the film evolution. In our model we track the evolution of the thickness of the non-polar lipid layer, the thickness of the aqueous layer and the concentration of polar lipids which reside at the interface between the two. We also utilise a force balance in the non-polar lipid layer in order to determine its velocity. We show how to obtain previous models in the literature from our model by making particular choices of the parameters. We see the formation of boundary layers in some of these submodels, across which the concentration of polar lipid and the non-polar lipid velocity and film thickness vary. We solve our model numerically for physically realistic parameter values, and we find that the evolution of the aqueous layer and the polar lipid layer are similar to that described by previous authors. However, there are interesting dynamics for the non-polar lipid layer. The effects of altering the key parameters are highlighted and discussed. In particular, we see that the Marangoni number plays a key role in determining how far over the eye the non-polar lipid spreads.

  1. Contributions of individual reactive biogenic volatile organic compounds to organic nitrates above a mixed forest

    Directory of Open Access Journals (Sweden)

    K. A. Pratt

    2012-11-01

    Full Text Available Biogenic volatile organic compounds (BVOCs can react in the atmosphere to form organic nitrates, which serve as NOx (NO + NO2 reservoirs, impacting ozone and secondary organic aerosol production, the oxidative capacity of the atmosphere, and nitrogen availability to ecosystems. To examine the contributions of biogenic emissions and the formation and fate of organic nitrates in a forest environment, we simulated the oxidation of 57 individual BVOCs emitted from a rural mixed forest in northern Michigan. Key BVOC-oxidant reactions were identified for future laboratory and field investigations into reaction rate constants, yields, and speciation of oxidation products. Of the total simulated organic nitrates, monoterpenes contributed ~70% in the early morning at ~12 m above the forest canopy when isoprene emissions were low. In the afternoon, when vertical mixing and isoprene nitrate production were highest, the simulated contribution of isoprene-derived organic nitrates was greater than 90% at all altitudes, with the concentration of secondary isoprene nitrates increasing with altitude. Notably, reaction of isoprene with NO3 leading to isoprene nitrate formation was found to be significant (~8% of primary organic nitrate production during the daytime, and monoterpene reactions with NO3 were simulated to comprise up to ~83% of primary organic nitrate production at night. Lastly, forest succession, wherein aspen trees are being replaced by pine and maple trees, was predicted to lead to increased afternoon concentrations of monoterpene-derived organic nitrates. This further underscores the need to understand the formation and fate of these species, which have different chemical pathways and oxidation products compared to isoprene-derived organic nitrates and can lead to secondary organic aerosol formation.

  2. Datasets used in the manuscript titled "Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms and organic aerosol"

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset documents that all of the data used in the manuscript "Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms, and organic...

  3. Influence of volatile organic compounds of varnish-and-paint materials on the workers organism on the industrial enterprises

    Directory of Open Access Journals (Sweden)

    Г.І. Архіпова

    2010-02-01

    Full Text Available In article describes the reasons of air contamination in working area of endustrial enterprises, defines main ways of incoming and mechanism of action of volatile organic compounds of paintwork material on the organisms of workers.

  4. Factors affecting the volatilization of volatile organic compounds from wastewater

    Directory of Open Access Journals (Sweden)

    Junya Intamanee

    2006-09-01

    Full Text Available This study aimed to understand the influence of the wind speed (U10cm, water depth (h and suspended solids (SS on mass transfer coefficient (KOLa of volatile organic compounds (VOCs volatilized from wastewater. The novelty of this work is not the method used to determine KOLa but rather the use of actual wastewater instead of pure water as previously reported. The influence of U10cm, h, and SS on KOLa was performed using a volatilization tank with the volume of 100-350 L. Methyl Ethyl Ketone (MEK was selected as a representative of VOCs investigated here in. The results revealed that the relationship between KOLa and the wind speeds falls into two regimes with a break at the wind speed of 2.4 m/s. At U10cm 2.4 m/s, KOLa increased more rapidly. The relationship between KOLa and U10cm was also linear but has a distinctly higher slope. For the KOLa dependency on water depth, the KOLa decreased significantly with increasing water depth up to a certain water depth after that the increase in water depth had small effect on KOLa. The suspended solids in wastewater also played an important role on KOLa. Increased SS resulted in a significant reduction of KOLa over the investigated range of SS. Finally, the comparison between KOLa obtained from wastewater and that of pure water revealed that KOLa from wastewater were much lower than that of pure water which was pronounced at high wind speed and at small water depth. This was due the presence of organic mass in wastewater which provided a barrier to mass transfer and reduced the degree of turbulence in the water body resulting in low volatilization rate and thus KOLa. From these results, the mass transfer model for predicting VOCs emission from wastewater should be developed based on the volatilization of VOCs from wastewater rather than that from pure water.

  5. Aerobic biodegradation of organic compounds in hydraulic fracturing fluids.

    Science.gov (United States)

    Kekacs, Daniel; Drollette, Brian D; Brooker, Michael; Plata, Desiree L; Mouser, Paula J

    2015-07-01

    Little is known of the attenuation of chemical mixtures created for hydraulic fracturing within the natural environment. A synthetic hydraulic fracturing fluid was developed from disclosed industry formulas and produced for laboratory experiments using commercial additives in use by Marcellus shale field crews. The experiments employed an internationally accepted standard method (OECD 301A) to evaluate aerobic biodegradation potential of the fluid mixture by monitoring the removal of dissolved organic carbon (DOC) from an aqueous solution by activated sludge and lake water microbial consortia for two substrate concentrations and four salinities. Microbial degradation removed from 57 % to more than 90 % of added DOC within 6.5 days, with higher removal efficiency at more dilute concentrations and little difference in overall removal extent between sludge and lake microbe treatments. The alcohols isopropanol and octanol were degraded to levels below detection limits while the solvent acetone accumulated in biological treatments through time. Salinity concentrations of 40 g/L or more completely inhibited degradation during the first 6.5 days of incubation with the synthetic hydraulic fracturing fluid even though communities were pre-acclimated to salt. Initially diverse microbial communities became dominated by 16S rRNA sequences affiliated with Pseudomonas and other Pseudomonadaceae after incubation with the synthetic fracturing fluid, taxa which may be involved in acetone production. These data expand our understanding of constraints on the biodegradation potential of organic compounds in hydraulic fracturing fluids under aerobic conditions in the event that they are accidentally released to surface waters and shallow soils.

  6. 78 FR 55234 - Approval and Promulgation of Implementation Plans; Indiana; Volatile Organic Compound Emission...

    Science.gov (United States)

    2013-09-10

    ... Compound Emission Control Measures for Industrial Solvent Cleaning for Northwest Indiana AGENCY... of Environmental Management (IDEM) submitted revisions to its volatile organic compound (VOC... less than or equal to 8 millimeters of mercury; (2) several work practices must be...

  7. Development of novel biofilters for treatment of volatile organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Bishop, D.F. [Environmental Protection Agency, Cincinnati, OH (United States). National Risk Management Research Lab.; Govind, R. [Univ. of Cincinnati, OH (United States). Dept. of Chemical Engineering

    1995-12-31

    Biofiltration involves contacting a contaminated gas stream with immobilized microorganisms in a contactor to biodegrade the contaminants. It is emerging as an attractive technology for removing low concentrations (i.e., less than 800 ppmv) of volatile organic chemicals (VOCs) from air. Compared with other technologies, biofiltration fully mineralizes the contaminants, is inexpensive and reliable, and requires no posttreatment. In the study described in this paper, four types of media consisting of porous ceramic monoliths with several straight passages were studied to determine the effects of adsorptive and nonadsorptive media on biofilter startup time, dynamic response to step changes in inlet substrate concentration, biofilm adherence, and overall VOC-removal efficiency. Volatile compounds studied were benzene, toluene, ethylbenzene, m-xylene, and o-xylene. Adsorbing media such as activated carbon, when compared with nonadsorbing media such as ceramic, exhibit faster biofilter startup, are more stable to dynamic changes in inlet concentration, and attain higher VOC-removal efficiencies due to better adherence of biofilm on media surfaces.

  8. Characterization of volatile organic compounds from different cooking emissions

    Science.gov (United States)

    Cheng, Shuiyuan; Wang, Gang; Lang, Jianlei; Wen, Wei; Wang, Xiaoqi; Yao, Sen

    2016-11-01

    Cooking fume is regarded as one of the main sources of urban atmospheric volatile organic compounds (VOCs) and its chemical characteristics would be different among various cooking styles. In this study, VOCs emitted from four different Chinese cooking styles were collected. VOCs concentrations and emission characteristics were analyzed. The results demonstrated that Barbecue gave the highest VOCs concentrations (3494 ± 1042 μg/m3), followed by Hunan cuisine (494.3 ± 288.8 μg/m3), Home cooking (487.2 ± 139.5 μg/m3), and Shandong cuisine (257.5 ± 98.0 μg/m3). The volume of air drawn through the collection hood over the stove would have a large impact on VOCs concentration in the exhaust. Therefore, VOCs emission rates (ER) and emission factors (EF) were also estimated. Home cooking had the highest ER levels (12.2 kg/a) and Barbecue had the highest EF levels (0.041 g/kg). The abundance of alkanes was higher in Home cooking, Shandong cuisine and Hunan cuisine with the value of 59.4%-63.8%, while Barbecue was mainly composed of alkanes (34.7%) and alkenes (39.9%). The sensitivity species of Home cooking and Hunan cuisine were alkanes, and that of Shandong cuisine and Barbecue were alkenes. The degree of stench pollution from cooking fume was lighter.

  9. First Characterisation of Volatile Organic Compounds Emitted by Banana Plants.

    Science.gov (United States)

    Berhal, Chadi; De Clerck, Caroline; Fauconnier, Marie-Laure; Levicek, Carolina; Boullis, Antoine; Kaddes, Amine; Jijakli, Haïssam M; Verheggen, François; Massart, Sébastien

    2017-05-16

    Banana (Musa sp.) ranks fourth in term of worldwide fruit production, and has economical and nutritional key values. The Cavendish cultivars correspond to more than 90% of the production of dessert banana while cooking cultivars are widely consumed locally around the banana belt production area. Many plants, if not all, produce Volatile Organic Compounds (VOCs) as a means of communication with their environment. Although flower and fruit VOCs have been studied for banana, the VOCs produced by the plant have never been identified despite their importance in plant health and development. A volatile collection methodology was optimized to improve the sensitivity and reproducibility of VOCs analysis from banana plants. We have identified 11 VOCs for the Cavendish, mainly (E,E)-α-farnesene (87.90 ± 11.28 ng/μl), methyl salicylate (33.82 ± 14.29) and 6-methyl-5-hepten-2-one (29.60 ± 11.66), and 14 VOCs for the Pacific Plantain cultivar, mainly (Z,E)-α-farnesene (799.64 ± 503.15), (E,E)-α-farnesene (571.24 ± 381.70) and (E) β ocimene (241.76 ± 158.49). This exploratory study paves the way for an in-depth characterisation of VOCs emitted by Musa plants.

  10. Volatile organic silicon compounds: the most undesirable contaminants in biogases.

    Science.gov (United States)

    Ohannessian, Aurélie; Desjardin, Valérie; Chatain, Vincent; Germain, Patrick

    2008-01-01

    Recently a lot of attention has been focused on volatile organic silicon compounds (VOSiC) present in biogases. They induce costly problems due to silicate formation during biogas combustion in valorisation engine. The cost of converting landfill gas and digester gas into electricity is adversely affected by this undesirable presence. VOSiC in biogases spark off formation of silicate deposits in combustion chambers. They engender abrasion of the inner surfaces leading to serious damage, which causes frequent service interruptions, thus reducing the economic benefit of biogases. It is already known that these VOSiC originate from polydimethylsiloxanes (PDMS) hydrolysis. PDMS (silicones) are used in a wide range of consumer and industrial applications. PDMS are released into the environment through landfills and wastewater treatment plants. There is a lack of knowledge concerning PDMS biodegradation during waste storage. Consequently, understanding PDMS behaviour in landfill cells and in sludge digester is particularly important. In this article, we focused on microbial degradation of PDMS through laboratory experiments. Preliminary test concerning anaerobic biodegradation of various PDMS have been investigated. Results demonstrate that the biotic step has an obvious influence on PDMS biodegradation. IWA Publishing 2008.

  11. [Determination of volatile organic compounds in atmospheric environment].

    Science.gov (United States)

    Chen, H W; Li, G K; Li, H; Zhang, Z X; Wang, B G; Li, T; Luo, H K

    2001-11-01

    It is well known that volatile organic compounds (VOCs) are the main photochemical pollutants and ozone precursors of the photochemical smog. Investigation of photochemical pollution in the ambient air must focus on VOCs, but the concentration of VOCs in ambient air is in a very low level (10(-9)-10(-12), volume fraction), so there are difficulties in the determination of VOCs. In this work, based on the TO14A and TO15 methods recommended by the Environmental Protection Agency of United States, an improved method for the determination of fifty-six VOCs, mainly O3 precursors, in atmospheric environment was developed. Operating conditions of VOCs preconcentrator, gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS) were optimized. Air sample was first frozen by liquid nitrogen, and then H2O and CO2 were eliminated in the VOCs preconcentrator. The preconcentrated VOCs sample was injected to GC and detected by MS or hydrogen flame ionization detector (FID). The C2-C10 hydrocarbons were separated effectively in capillary columns under the high concentration of CO2. The detection limits were 0.1 microgram.m-3 and the relative standard deviations were in the range from 2.57% to 9.82%. This method has been used for the determination of VOCs in real samples. The results were satisfactory.

  12. Prediction of boiling points of organic compounds by QSPR tools.

    Science.gov (United States)

    Dai, Yi-min; Zhu, Zhi-ping; Cao, Zhong; Zhang, Yue-fei; Zeng, Ju-lan; Li, Xun

    2013-07-01

    The novel electro-negativity topological descriptors of YC, WC were derived from molecular structure by equilibrium electro-negativity of atom and relative bond length of molecule. The quantitative structure-property relationships (QSPR) between descriptors of YC, WC as well as path number parameter P3 and the normal boiling points of 80 alkanes, 65 unsaturated hydrocarbons and 70 alcohols were obtained separately. The high-quality prediction models were evidenced by coefficient of determination (R(2)), the standard error (S), average absolute errors (AAE) and predictive parameters (Qext(2),RCV(2),Rm(2)). According to the regression equations, the influences of the length of carbon backbone, the size, the degree of branching of a molecule and the role of functional groups on the normal boiling point were analyzed. Comparison results with reference models demonstrated that novel topological descriptors based on the equilibrium electro-negativity of atom and the relative bond length were useful molecular descriptors for predicting the normal boiling points of organic compounds. Copyright © 2013 Elsevier Inc. All rights reserved.

  13. A biogenic volatile organic compounds emission inventory for Yunnan Province

    Institute of Scientific and Technical Information of China (English)

    WANG Zhi-hui; BAI Yu-hua; ZHANG Shu-yu

    2005-01-01

    The first detailed inventory for volatile organic compounds(VOC) emissions from vegetation over Yunnan Province, China was presented. The spatially and temporally resolved inventory was developed based on a geographic information system (GIS), remote sensing(RS) data and field measurement data, such as digitized land-use data, normalized difference vegetation index (NDVl) and temperature data from direct real-time measurement. The inventory has a spatial resolution of 5 km × 5 km and a time resolution of 1 h.Urban, agriculture, and natural land-use distributions in Yunnan Province were combined with biomass factors for each land-use category to produce a spatially resolved biomass inventory. A biogenic emission inventory was developed by combining the biomass inventory with hourly emission rates for tree, shrub and ground cover species of the study area. Correcting for environmental factors, including light intensity and temperature, a value of 1.1 × 1012 gC for total annual biogenic VOC emissions from Yunnan Province, including 6.1 × 1011 gCfor isoprene, 2.1 × 1011 gC for monoterpenes, and 2.6 × 1011 gC for OVOC was obtained. The highest VOC emissions occurred in the northwestern, southwestern and north region of Yunnan Province. Some uncertainties were also discussed in this study.

  14. Analysis of volatile organic compounds released during food decaying processes.

    Science.gov (United States)

    Phan, Nhu-Thuc; Kim, Ki-Hyun; Jeon, Eui-Chan; Kim, Uk-Hun; Sohn, Jong Ryeul; Pandey, Sudhir Kumar

    2012-03-01

    A number of volatile organic compounds (VOCs) including acetone, methyl ethyl ketone, toluene, ethylbenzene, m,p-xylene, styrene, and o- xylene released during food decaying processes were measured from three types of decaying food samples (Kimchi (KC), fresh fish (FF), and salted fish (SF)). To begin with, all the food samples were contained in a 100-mL throwaway syringe. These samples were then analyzed sequentially for up to a 14-day period. The patterns of VOC release contrasted sharply between two types of fish (FF and SF) and KC samples. A comparison of data in terms of total VOC showed that the mean values for the two fish types were in the similar magnitude with 280 ± 579 (FF) and 504 ± 1,089 ppmC (SF), while that for KC was much lower with 16.4 ± 7.6 ppmC. There were strong variations in VOC emission patterns during the food decaying processes between fishes and KC that are characterized most sensitively by such component as styrene. The overall results of this study indicate that concentration levels of the VOCs differed significantly between the food types and with the extent of decaying levels through time.

  15. Characterization of polar organic compounds and source analysis of fine organic aerosols in Hong Kong

    Science.gov (United States)

    Li, Yunchun

    Organic aerosols, as an important fraction of airborne particulate mass, significantly affect the environment, climate, and human health. Compared with inorganic species, characterization of individual organic compounds is much less complete and comprehensive because they number in thousands or more and are diverse in chemical structures. The source contributions of organic aerosols are far from being well understood because they can be emitted from a variety of sources as well as formed from photochemical reactions of numerous precursors. This thesis work aims to improve the characterization of polar organic compounds and source apportionment analysis of fine organic carbon (OC) in Hong Kong, which consists of two parts: (1) An improved analytical method to determine monocarboxylic acids, dicarboxylic acids, ketocarboxylic acids, and dicarbonyls collected on filter substrates has been established. These oxygenated compounds were determined as their butyl ester or butyl acetal derivatives using gas chromatography-mass spectrometry. The new method made improvements over the original Kawamura method by eliminating the water extraction and evaporation steps. Aerosol materials were directly mixed with the BF 3/BuOH derivatization agent and the extracting solvent hexane. This modification improves recoveries for both the more volatile and the less water-soluble compounds. This improved method was applied to study the abundances and sources of these oxygenated compounds in PM2.5 aerosol samples collected in Hong Kong under different synoptic conditions during 2003-2005. These compounds account for on average 5.2% of OC (range: 1.4%-13.6%) on a carbon basis. Oxalic acid was the most abundant species. Six C2 and C3 oxygenated compounds, namely oxalic, malonic, glyoxylic, pyruvic acids, glyoxal, and methylglyoxal, dominated this suite of oxygenated compounds. More efforts are therefore suggested to focus on these small compounds in understanding the role of oxygenated

  16. Enhanced Volatile Organic Compounds emissions and organic aerosol mass increase the oligomer content of atmospheric aerosols

    Science.gov (United States)

    Kourtchev, Ivan; Giorio, Chiara; Manninen, Antti; Wilson, Eoin; Mahon, Brendan; Aalto, Juho; Kajos, Maija; Venables, Dean; Ruuskanen, Taina; Levula, Janne; Loponen, Matti; Connors, Sarah; Harris, Neil; Zhao, Defeng; Kiendler-Scharr, Astrid; Mentel, Thomas; Rudich, Yinon; Hallquist, Mattias; Doussin, Jean-Francois; Maenhaut, Willy; Bäck, Jaana; Petäjä, Tuukka; Wenger, John; Kulmala, Markku; Kalberer, Markus

    2016-10-01

    Secondary organic aerosol (SOA) accounts for a dominant fraction of the submicron atmospheric particle mass, but knowledge of the formation, composition and climate effects of SOA is incomplete and limits our understanding of overall aerosol effects in the atmosphere. Organic oligomers were discovered as dominant components in SOA over a decade ago in laboratory experiments and have since been proposed to play a dominant role in many aerosol processes. However, it remains unclear whether oligomers are relevant under ambient atmospheric conditions because they are often not clearly observed in field samples. Here we resolve this long-standing discrepancy by showing that elevated SOA mass is one of the key drivers of oligomer formation in the ambient atmosphere and laboratory experiments. We show for the first time that a specific organic compound class in aerosols, oligomers, is strongly correlated with cloud condensation nuclei (CCN) activities of SOA particles. These findings might have important implications for future climate scenarios where increased temperatures cause higher biogenic volatile organic compound (VOC) emissions, which in turn lead to higher SOA mass formation and significant changes in SOA composition. Such processes would need to be considered in climate models for a realistic representation of future aerosol-climate-biosphere feedbacks.

  17. 40 CFR 60.112b - Standard for volatile organic compounds (VOC).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standard for volatile organic compounds... organic compounds (VOC). (a) The owner or operator of each storage vessel either with a design capacity... for Volatile Organic Liquid Storage Vessels (Including Petroleum Liquid Storage Vessels) for...

  18. Sorption to soil of hydrophobic and ionic organic compounds: measurement and modeling

    NARCIS (Netherlands)

    Laak, Thomas Laurens ter

    2005-01-01

    The sorption of organic compounds to soil, sediments and dissolved organic matter affects the fate of organic compounds. Given the central role of this process in environmental transport, distribution, and (bio)degradation processes, it needs to be well-understood and represented in risk assessment

  19. Modeling secondary organic aerosol formation through cloud processing of organic compounds

    Directory of Open Access Journals (Sweden)

    J. Chen

    2007-10-01

    Full Text Available Interest in the potential formation of secondary organic aerosol (SOA through reactions of organic compounds in condensed aqueous phases is growing. In this study, the potential formation of SOA from irreversible aqueous-phase reactions of organic species in clouds was investigated. A new proposed aqueous-phase chemistry mechanism (AqChem is coupled with the existing gas-phase Caltech Atmospheric Chemistry Mechanism (CACM and the Model to Predict the Multiphase Partitioning of Organics (MPMPO that simulate SOA formation. AqChem treats irreversible organic reactions that lead mainly to the formation of carboxylic acids, which are usually less volatile than the corresponding aldehydic compounds. Zero-dimensional model simulations were performed for tropospheric conditions with clouds present for three consecutive hours per day. Zero-dimensional model simulations show that 48-h average SOA formation is increased by 27% for a rural scenario with strong monoterpene emissions and 7% for an urban scenario with strong emissions of aromatic compounds, respectively, when irreversible organic reactions in clouds are considered. AqChem was also incorporated into the Community Multiscale Air Quality Model (CMAQ version 4.4 with CACM/MPMPO and applied to a previously studied photochemical episode (3–4 August 2004 focusing on the eastern United States. The CMAQ study indicates that the maximum contribution of SOA formation from irreversible reactions of organics in clouds is 0.28 μg m−3 for 24-h average concentrations and 0.60 μg m−3 for one-hour average concentrations at certain locations. On average, domain-wide surface SOA predictions for the episode are increased by 9% when irreversible, in-cloud processing of organics is considered. Because aldehydes of carbon number greater than four are assumed to convert fully to the corresponding carboxylic acids upon reaction with OH in cloud droplets and this assumption may overestimate

  20. Emission of volatile organic compounds from silage: Compounds, sources, and implications

    Science.gov (United States)

    Hafner, Sasha D.; Howard, Cody; Muck, Richard E.; Franco, Roberta B.; Montes, Felipe; Green, Peter G.; Mitloehner, Frank; Trabue, Steven L.; Rotz, C. Alan

    2013-10-01

    Silage, fermented cattle feed, has recently been identified as a significant source of volatile organic compounds (VOCs) to the atmosphere. A small number of studies have measured VOC emission from silage, but not enough is known about the processes involved to accurately quantify emission rates and identify practices that could reduce emissions. Through a literature review, we have focused on identifying the most important compounds emitted from corn silage (the most common type of silage in the US) and the sources of these compounds by quantifying their production and emission potential in silage and describing production pathways. We reviewed measurements of VOC emission from silage and assessed the importance of individual silage VOCs through a quantitative analysis of VOC concentrations within silage. Measurements of VOC emission from silage and VOCs present within silage indicated that alcohols generally make the largest contribution to emission from corn silage, in terms of mass emitted and potential ozone formation. Ethanol is the dominant alcohol in corn silage; excluding acids, it makes up more than half of the mean mass of VOCs present. Acids, primarily acetic acid, may be important when emission is high and all VOCs are nearly depleted by emission. Aldehydes and esters, which are more volatile than acids and alcohols, are important when exposure is short, limiting emission of more abundant but less volatile compounds. Variability in silage VOC concentrations is very high; for most alcohols and acids, tolerance intervals indicate that 25% of silages have concentrations a factor of two away from median values, and possibly much further. This observation suggests that management practices can significantly influence VOC concentrations. Variability also makes prediction of emissions difficult. The most important acids, alcohols, and aldehydes present in silage are probably produced by bacteria (and, in the case of ethanol, yeasts) during fermentation and

  1. Delivery of complex organic compounds from evolved stars to the solar system.

    Science.gov (United States)

    Kwok, Sun

    2011-12-01

    Stars in the late stages of evolution are able to synthesize complex organic compounds with aromatic and aliphatic structures over very short time scales. These compounds are ejected into the interstellar medium and distributed throughout the Galaxy. The structures of these compounds are similar to the insoluble organic matter found in meteorites. In this paper, we discuss to what extent stellar organics has enriched the primordial Solar System and possibly the early Earth.

  2. Effects of polar and nonpolar groups on the solubility of organic compounds in soil organic matter

    Science.gov (United States)

    Chiou, C.T.; Kile, D.E.

    1994-01-01

    Vapor sorption capacities on a high-organic-content peat, a model for soil organic matter (SOM), were determined at room temperature for the following liquids: n-hexane, 1,4-dioxane, nitroethane, acetone, acetonitrile, 1-propanol, ethanol, and methanol. The linear organic vapor sorption is in keeping with the dominance of vapor partition in peat SOM. These data and similar results of carbon tetrachloride (CT), trichloroethylene (TCE), benzene, ethylene glycol monoethyl ether (EGME), and water on the same peat from earlier studies are used to evaluate the effect of polarity on the vapor partition in SOM. The extrapolated liquid solubility from the vapor isotherm increases sharply from 3-6 wt % for low-polarity liquids (hexane, CT, and benzene) to 62 wt % for polar methanol and correlates positively with the liquid's component solubility parameters for polar interaction (??P) and hydrogen bonding (??h). The same polarity effect may be expected to influence the relative solubilities of a variety of contaminants in SOM and, therefore, the relative deviations between the SOM-water partition coefficients (Kom) and corresponding octanol-water partition coefficients (Kow) for different classes of compounds. The large solubility disparity in SOM between polar and nonpolar solutes suggests that the accurate prediction of Kom from Kow or Sw (solute water solubility) would be limited to compounds of similar polarity.

  3. Volatile organic compounds of polyethylene vinyl acetate plastic are toxic to living organisms.

    Science.gov (United States)

    Meng, Tingzhu Teresa

    2014-01-01

    Volatile organic compounds (VOCs) in polyvinyl chloride (PVC) plastic products readily evaporate; as a result, hazardous gases enter the ecosystem, and cause cancer in humans and other animals. Polyethylene vinyl acetate (PEVA) plastic has recently become a popular alternative to PVC since it is chlorine-free. In order to determine whether PEVA is harmful to humans, this research employed the freshwater oligochaete Lumbriculus variegatus as a model to compare their oxygen intakes while they were exposed to the original stock solutions of PEVA, PVC or distilled water at a different length of time for one day, four days or eight days. During the exposure periods, the oxygen intakes in both PEVA and PVC groups were much higher than in the distilled water group, indicating that VOCs in both PEVA and PVC were toxins that stressed L. variegatus. Furthermore, none of the worms fully recovered during the24-hr recovery period. Additionally, the L. variegatus did not clump together tightly after four or eight days' exposure to either of the two types of plastic solutions, which meant that both PEVA and PVC negatively affected the social behaviors of these blackworms. The LD50 tests also supported the observations above. For the first time, our results have shown that PEVA plastic has adverse effects on living organisms, and therefore it is not a safe alternative to PVC. Further studies should identify specific compounds causing the adverse effects, and determine whether toxic effect occurs in more complex organisms, especially humans.

  4. 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.

  5. Diagnosing Tibetan pollutant sources via volatile organic compound observations

    Science.gov (United States)

    Li, Hongyan; He, Qiusheng; Song, Qi; Chen, Laiguo; Song, Yongjia; Wang, Yuhang; Lin, Kui; Xu, Zhencheng; Shao, Min

    2017-10-01

    Atmospheric transport of black carbon (BC) from surrounding areas has been shown to impact the Tibetan environment, and clarifying the geographical source and receptor regions is crucial for providing guidance for mitigation actions. In this study, 10 trace volatile organic compounds (VOCs) sampled across Tibet are chosen as proxies to diagnose source regions and related transport of pollutants to Tibet. The levels of these VOCs in Tibet are higher than those in the Arctic and Antarctic regions but much lower than those observed at many remote and background sites in Asia. The highest VOC level is observed in the eastern region, followed by the southern region and the northern region. A positive matrix factorization (PMF) model found that three factors-industry, biomass burning, and traffic-present different spatial distributions, which indicates that different zones of Tibet are influenced by different VOC sources. The average age of the air masses in the northern and eastern regions is estimated to be 3.5 and 2.8 days using the ratio of toluene to benzene, respectively, which indicates the foreign transport of VOC species to those regions. Back-trajectory analyses show that the Afghanistan-Pakistan-Tajikistan region, Indo-Gangetic Plain (IGP), and Meghalaya-Myanmar region could transport industrial VOCs to different zones of Tibet from west to east. The agricultural bases in northern India could transport biomass burning-related VOCs to the middle-northern and eastern zones of Tibet. High traffic along the unique national roads in Tibet is associated with emissions from local sources and neighboring areas. Our study proposes international joint-control efforts and targeted actions to mitigate the climatic changes and effects associated with VOCs in Tibet, which is a climate sensitive region and an important source of global water.

  6. Assessment of volatile organic compound emissions from ecosystems of China

    Science.gov (United States)

    Klinger, L. F.; Li, Q.-J.; Guenther, A. B.; Greenberg, J. P.; Baker, B.; Bai, J.-H.

    2002-11-01

    Isoprene, monoterpene, and other volatile organic compound (VOC) emissions from grasslands, shrublands, forests, and peatlands in China were characterized to estimate their regional magnitudes and to compare these emissions with those from landscapes of North America, Europe, and Africa. Ecological and VOC emission sampling was conducted at 52 sites centered in and around major research stations located in seven different regions of China: Inner Mongolia (temperate), Changbai Mountain (boreal-temperate), Beijing Mountain (temperate), Dinghu Mountain (subtropical), Ailao Mountain (subtropical), Kunming (subtropical), and Xishuangbanna (tropical). Transects were used to sample plant species and growth form composition, leafy (green) biomass, and leaf area in forests representing nearly all the major forest types of China. Leafy biomass was determined using generic algorithms based on tree diameter, canopy structure, and absolute cover. Measurements of VOC emissions were made on 386 of the 541 recorded species using a portable photo-ionization detector method. For 105 species, VOC emissions were also measured using a flow-through leaf cuvette sampling/gas chromatography analysis method. Results indicate that isoprene and monoterpene emissions, as well as leafy biomass, vary systematically along gradients of ecological succession in the same manner found in previous studies in the United States, Canada, and Africa. Applying these results to a regional VOC emissions model, we arrive at a value of 21 Tg C for total annual biogenic VOC emissions from China, compared to 5 Tg C of VOCs released annually from anthropogenic sources there. The isoprene and monoterpene emissions are nearly the same as those reported for Europe, which is comparable in size to China.

  7. Stable carbon isotope ratios of ambient aromatic volatile organic compounds

    Science.gov (United States)

    Kornilova, Anna; Huang, Lin; Saccon, Marina; Rudolph, Jochen

    2016-09-01

    Measurements of mixing ratios and stable carbon isotope ratios of aromatic volatile organic compounds (VOC) in the atmosphere were made in Toronto (Canada) in 2009 and 2010. Consistent with the kinetic isotope effect for reactions of aromatic VOC with the OH radical the observed stable carbon isotope ratios are on average significantly heavier than the isotope ratios of their emissions. The change of carbon isotope ratio between emission and observation is used to determine the extent of photochemical processing (photochemical age, ∫ [OH]dt) of the different VOC. It is found that ∫ [OH]dt of different VOC depends strongly on the VOC reactivity. This demonstrates that for this set of observations the assumption of a uniform ∫ [OH]dt for VOC with different reactivity is not justified and that the observed values for ∫ [OH]dt are the result of mixing of VOC from air masses with different values for ∫ [OH]dt. Based on comparison between carbon isotope ratios and VOC concentration ratios it is also found that the varying influence of sources with different VOC emission ratios has a larger impact on VOC concentration ratios than photochemical processing. It is concluded that for this data set the use of VOC concentration ratios to determine ∫ [OH]dt would result in values for ∫ [OH]dt inconsistent with carbon isotope ratios and that the concept of a uniform ∫ [OH]dt for an air mass has to be replaced by the concept of individual values of an average ∫ [OH]dt for VOC with different reactivity.

  8. Occurrence and Distribution of Pharmaceutical Organic Compounds in the Groundwater Downgradient of a Landfill (Grindsted, Denmark)

    DEFF Research Database (Denmark)

    Holm, John V.; Rügge, Kirsten; Bjerg, Poul Løgstrup;

    1995-01-01

    Usually landfill leachates contain specific organic compounds as BTEXs (benzene, toluene, ethylbenzene, and xylenes), chlorinated aliphatic hydrocarbons and chlorobenzenes originating from household chemicals and waste from small businesses (I). However, where industrial waste has been landfilled......, the leachate may contain many other organic compounds (2). Another paper of ours (3) described the distribution of commonly found organic compounds in the leachate plume downgradient of the Grindsted Landfill and discussed the fate of the organic compounds in view of the redox environments determined...... in the plume (4). In this paper, we describe the occurrence and distribution of organic compounds originating from waste from the pharmaceutical industry in the groundwater downgradient of the same landfill. According to our knowledge, this is the first report on pharmaceutical compounds in a leachate plume....

  9. [Influence of exogenous sulfur-containing compounds on the exchange fluxes of volatile organic sulfur compounds].

    Science.gov (United States)

    Yi, Zhi-Gang; Wang, Xin-Ming

    2011-08-01

    The influences of cysteine, sodium sulfide (Na2S) and sodium sulfate (Na2SO4) on the soil-air exchange fluxes of volatile organic sulfur compounds (VOSCs), including carbonyl sulfide (COS), dimethyl sulfide (DMS), carbon disulfide (CS2) and dimethyl disulfide (DMDS), were studied employing static chamber enclosure followed by laboratory determination using an Entech 7100 preconcentrator coupled with an Agilent 5973 GC-MSD. The results showed that after the addition of cysteine, the soil for the exchange fluxes of COS and CS2 shifted to be the source from sink and the emissions of DMS and DMDS increased significant. The emission amount of DMS and CS2 accounted for 89.2% to the total VOSCs after the addition of cysteine, implying that cysteine is an important precursor for DMS and CS2 in the soil. The amount of DMDS accounted for 93.2% to the total sulfur from the soil after addition of Na2S, indicating that Na2S is a key precursor for DMDS. No significant difference of VOSCs fluxes was found between the controlled soil and the soil with addition of Na2SO4, suggesting Na2SO4 was not the direct precursor for VOSCs in soil. VOSCs exchange rates reached the maximum at 6 to 8 days after addition of cysteine. As for addition of Na2S, the maximal emission rates of different VOSCs appeared at different dates, and the dates differed significantly from those after addition of cysteine, implying that the formation process of VOSCs from the soil with addition of Na2S was more complex and different from the soil with addition of cysteine.

  10. Calculations of the enthalpies of combustion of organic compounds by the additive scheme

    Science.gov (United States)

    Sagadeev, E. V.; Barabanov, V. P.

    2006-11-01

    The enthalpies of combustion of more than 200 organic compounds were analyzed. Group contributions to Δc H o were calculated and used to estimate the enthalpies of combustion of a wide range of organic substances of various classes.

  11. RT-MATRIX: Measuring Total Organic Carbon by Photocatalytic Oxidation of Volatile Organic Compounds

    Science.gov (United States)

    2008-01-01

    Volatile organic compounds (VOCs) inevitably accumulate in enclosed habitats such as the International Space Station and the Crew Exploration Vehicle (CEV) as a result of human metabolism, material off-gassing, and leaking equipment. Some VOCs can negatively affect the quality of the crew's life, health, and performance; and consequently, the success of the mission. Air quality must be closely monitored to ensure a safe living and working environment. Currently, there is no reliable air quality monitoring system that meets NASA's stringent requirements for power, mass, volume, or performance. The ultimate objective of the project -- the development of a Real-Time, Miniaturized, Autonomous Total Risk Indicator System (RT.MATRIX).is to provide a portable, dual-function sensing system that simultaneously determines total organic carbon (TOC) and individual contaminants in air streams.

  12. Adsorption of volatile organic compounds in porous metal-organic frameworks functionalized by polyoxometalates

    Science.gov (United States)

    Ma, Feng-Ji; Liu, Shu-Xia; Liang, Da-Dong; Ren, Guo-Jian; Wei, Feng; Chen, Ya-Guang; Su, Zhong-Min

    2011-11-01

    The functionalization of porous metal-organic frameworks (Cu 3( BTC) 2) was achieved by incorporating Keggin-type polyoxometalates (POMs), and further optimized via alkali metal ion-exchange. In addition to thermal gravimetric analysis, IR, single-crystal X-ray diffraction, and powder X-ray diffraction, the adsorption properties were characterized by N 2 and volatile organic compounds (VOCs) adsorption measurements, including short-chain alcohols ( C<4), cyclohexane, benzene, and toluene. The adsorption enthalpies estimated by the modified Clausius-Clapeyron equation provided insight into the impact of POMs and alkali metal cations on the adsorption of VOCs. The introduction of POMs not only improved the stability, but also brought the increase of adsorption capacity by strengthening the interaction with gas molecules. Furthermore, the exchanged alkali metal cations acted as active sites to interact with adsorbates and enhanced the adsorption of VOCs.

  13. Organic compounds near dumpsites in Niagara Falls, New York.

    Science.gov (United States)

    Elder, V A; Proctor, B L; Hites, R A

    1981-09-01

    Water and sediment samples were taken from sites adjacent to hazardous waste disposal areas in Niagara Falls, New York. The samples were analyzed by gas chromatographic mass spectrometry. The following compounds were identified: chlorobenzenes, chlorotoluenes, polycyclic aromatic hydrocarbon derivatives, cyclohexane derivatives, polychlorinated biphenyls, trichlorophenol and other phenols, benzotrifluorides, mirex and phenothiazine. A large number of benzyl derivatives and unusual fluorinated compounds were also found; they were probably waste by-products of industrial chemical production. The hazardous waste disposal sites were probably the major sources for most of the compounds.

  14. Genetic effects of organic mercury compounds. Part I. Cytological investigations on allium roots

    Energy Technology Data Exchange (ETDEWEB)

    Ramel, C.

    1969-01-01

    The cytological effect of organic mercury compounds was investigated on root mitosis of allium cepa. All the compounds tested caused c-mitosis. The data indicates that methyl and phenyl mercury compounds act at lower concentrations than any other c-mitotic agents.

  15. Volatile Organic Compound Investigation Results, 300 Area, Hanford Site, Washington

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Robert E.; Williams, Bruce A.; Smith, Ronald M.

    2008-07-07

    Unexpectedly high concentrations of volatile organic compounds (VOC) were discovered while drilling in the unconfined aquifer beneath the Hanford Site’s 300 Area during 2006. The discovery involved an interval of relatively finer-grained sediment within the unconfined aquifer, an interval that is not sampled by routine groundwater monitoring. Although VOC contamination in the unconfined aquifer has been identified and monitored, the concentrations of newly discovered contamination are much higher than encountered previously, with some new results significantly higher than the drinking water standards. The primary contaminant is trichloroethene, with lesser amounts of tetrachloroethene. Both chemicals were used extensively as degreasing agents during the fuels fabrication process. A biological degradation product of these chemicals, 1,2-dichloroethene, was also detected. To further define the nature and extent of this contamination, additional characterization drilling was undertaken during 2007. Four locations were drilled to supplement the information obtained at four locations drilled during the earlier investigation in 2006. The results of the combined drilling indicate that the newly discovered contamination is limited to a relatively finer-grained interval of Ringold Formation sediment within the unconfined aquifer. The extent of this contamination appears to be the area immediately east and south of the former South Process Pond. Samples collected from the finer-grained sediment at locations along the shoreline confirm the presence of the contamination near the groundwater/river interface. Contamination was not detected in river water that flows over the area where the river channel potentially incises the finer-grained interval of aquifer sediment. The source for this contamination is not readily apparent. A search of historical documents and the Hanford Waste Information Data System did not provide definitive clues as to waste disposal operations and

  16. Airborne flux measurements of biogenic volatile organic compounds over California

    Science.gov (United States)

    Misztal, P. K.; Karl, T.; Weber, R.; Jonsson, H. H.; Guenther, A. B.; Goldstein, A. H.

    2014-03-01

    Biogenic Volatile Organic Compound (BVOC) fluxes were measured onboard the CIRPAS Twin Otter aircraft as part of the California Airborne BVOC Emission Research in Natural Ecosystem Transects (CABERNET) campaign during June 2011. The airborne virtual disjunct eddy covariance (AvDEC) approach used measurements from a PTR-MS and a wind radome probe to directly determine fluxes of isoprene, MVK + MAC, methanol, monoterpenes, and MBO over ∼10 000 km of flight paths focusing on areas of California predicted to have the largest emissions of isoprene. The Fast Fourier Transform (FFT) approach was used to calculate fluxes over long transects of more than 15 km, most commonly between 50 and 150 km. The Continuous Wavelet Transformation (CWT) approach was used over the same transects to also calculate "instantaneous" fluxes with localization of both frequency and time independent of non-stationarities. Vertical flux divergence of isoprene is expected due to its relatively short lifetime and was measured directly using "racetrack" profiles at multiple altitudes. It was found to be linear and in the range 5% to 30% depending on the ratio of aircraft altitude to PBL height (z / zi). Fluxes were generally measured by flying consistently at 400 ± 50 m (a.g.l.) altitude, and extrapolated to the surface according to the determined flux divergence. The wavelet-derived surface fluxes of isoprene averaged to 2 km spatial resolution showed good correspondence to Basal Emission Factor (BEF) landcover datasets used to drive biogenic VOC (BVOC) emission models. The surface flux of isoprene was close to zero over Central Valley crops and desert shrublands, but was very high (up to 15 mg m-2 h-1) above oak woodlands, with clear dependence of emissions on temperature and oak density. Isoprene concentrations of up to 8 ppb were observed at aircraft height on the hottest days and over the dominant source regions. While isoprene emissions from agricultural crop regions, shrublands, and

  17. Effects of trace volatile organic compounds on methane oxidation

    Directory of Open Access Journals (Sweden)

    Wilai Chiemchaisri

    2001-06-01

    Full Text Available The effects of volatile organic compounds (VOCs on methane oxidation in landfill cover soils were examined. The batch experiments were conducted using single and mixed VOCs, such as, dichloromethane (DCM, trichloroethylene (TCE, tetrachloroethylene (PCE, and benzene. The results from all combinations showed a decrease in methane oxidation rate with increase in VOC concentrations. Moreover, inhibition effects of TCE and DCM were found higher than benzene and PCE. The reduction of methane oxidation by benzene and PCE could be attributed to the toxicity effect, whereas TCE and DCM were found to exhibit the competitive-inhibition effect. When the soil was mixed with DCM, no methane oxidation was found. Damage to the cell’s internal membrane was found in a methanotrophic culture exposed to VOC gases which is the attachment site of a key enzyme needed for methane oxidationOs efeitos dos compostos orgânicos voláteis (VOCs na oxidação do metano em camadas superficiais do solo. Os experimentos foram conduzidos usando somente VOCs ou mistura do mesmo, como, diclorometano (DCM, tricloroetileno (TCE, tetracloroetileno (PCE, e benzeno. Os resultados de todas as combinações mostraram uma diminuição na taxa da oxidação do metano com aumento nas concentrações de VOC. Além disso, os efeitos da inibição de TCE e de DCM foram mais elevados do que do benzeno e PCE. A redução da oxidação do metano pelo benzeno e PCE poderia ser atribuída ao efeito da toxicidade, visto que TCE e DCM exibiram o efeito de competição-inibição. Quando o solo foi misturado com o DCM, nenhuma oxidação do metano foi encontrada. Os danos à membrana interna celular foi observada em uma cultura metanotrófica exposta aos gases de VOC que é o local de ligação de uma enzima chave necessário para a oxidação do metano.

  18. Study on the Characteristic Organic Compounds in Red Tide by Factor Analysis Method

    Institute of Scientific and Technical Information of China (English)

    赵明桥; 李攻科; 张展霞

    2004-01-01

    Factor analysis is used to study the organic compounds that have high degree of correlation with biomass in algal blooming. Based on this correlation, they are named characteristic organic compounds. The compounds found are sequalene (SQU), cedrol (CED), 2, 5-cyclohexadiene-1, 4-dione, 2, 6-bis(1, 1-dimthylethyl )(PBQ), phenol, 2, 6-bis (1, 1-dimethylethy-4-methyl) (BHT), 3-t-butyl-4-hydroxyanisole ( BHA ), 1, 2-benzenedicarboxylie acid, bis-( 2-methyl propyl ) ester (DIBP), dibutyl phthalate (DNBP), respectively. Monitoring the variations of concentration of these characteristic organic compounds in seawater may provide scientific basis for studying and forecasting red tides.

  19. Speciation of volatile organic compound emissions for regional air quality modeling of particulate matter and ozone

    Science.gov (United States)

    Makar, P. A.; Moran, M. D.; Scholtz, M. T.; Taylor, A.

    2003-01-01

    A new classification scheme for the speciation of organic compound emissions for use in air quality models is described. The scheme uses 81 organic compound classes to preserve both net gas-phase reactivity and particulate matter (PM) formation potential. Chemical structure, vapor pressure, hydroxyl radical (OH) reactivity, freezing point/boiling point, and solubility data were used to create the 81 compound classes. Volatile, semivolatile, and nonvolatile organic compounds are included. The new classification scheme has been used in conjunction with the Canadian Emissions Processing System (CEPS) to process 1990 gas-phase and particle-phase organic compound emissions data for summer and winter conditions for a domain covering much of eastern North America. A simple postprocessing model was used to analyze the speciated organic emissions in terms of both gas-phase reactivity and potential to form organic PM. Previously unresolved compound classes that may have a significant impact on ozone formation include biogenic high-reactivity esters and internal C6-8 alkene-alcohols and anthropogenic ethanol and propanol. Organic radical production associated with anthropogenic organic compound emissions may be 1 or more orders of magnitude more important than biogenic-associated production in northern United States and Canadian cities, and a factor of 3 more important in southern U.S. cities. Previously unresolved organic compound classes such as low vapour pressure PAHs, anthropogenic diacids, dialkyl phthalates, and high carbon number alkanes may have a significant impact on organic particle formation. Primary organic particles (poorly characterized in national emissions databases) dominate total organic particle concentrations, followed by secondary formation and primary gas-particle partitioning. The influence of the assumed initial aerosol water concentration on subsequent thermodynamic calculations suggests that hydrophobic and hydrophilic compounds may form external

  20. Study on the local atomic structure of germanium in organic germanium compounds by EXAFS

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    Organic germanium compounds have been extensively applied in medicine as tonics,In this paper,the local structures of two organic germanium compounds,carboxyethylgermanium sesquioxide and polymeric germanium glutamate,were determined by EXAFS.The structure parameters including coordination numbers and bond lengths were reported,and possible structure patterns were discussed.

  1. 40 CFR 60.542a - Alternate standard for volatile organic compounds.

    Science.gov (United States)

    2010-07-01

    ... Rubber Tire Manufacturing Industry § 60.542a Alternate standard for volatile organic compounds. (a) On... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Alternate standard for volatile organic compounds. 60.542a Section 60.542a Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  2. 40 CFR 60.312 - Standard for volatile organic compounds (VOC).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standard for volatile organic compounds (VOC). 60.312 Section 60.312 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR... Surface Coating of Metal Furniture § 60.312 Standard for volatile organic compounds (VOC). (a) On...

  3. 40 CFR 60.112 - Standard for volatile organic compounds (VOC).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standard for volatile organic compounds (VOC). 60.112 Section 60.112 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR... After June 11, 1973, and Prior to May 19, 1978 § 60.112 Standard for volatile organic compounds...

  4. 75 FR 57412 - Approval and Promulgation of Implementation Plans Alabama: Volatile Organic Compounds

    Science.gov (United States)

    2010-09-21

    ... ``volatile organic compounds'' (VOCs) found at Alabama Administrative Code section 335-3-1-.02(gggg... AGENCY 40 CFR Part 52 Approval and Promulgation of Implementation Plans Alabama: Volatile Organic Compounds AGENCY: Environmental Protection Agency (EPA). ACTION: Proposed rule. SUMMARY: EPA is proposing...

  5. 75 FR 82363 - Approval and Promulgation of Implementation Plans; Ohio; Volatile Organic Compound Emission...

    Science.gov (United States)

    2010-12-30

    ... AGENCY 40 CFR Part 52 Approval and Promulgation of Implementation Plans; Ohio; Volatile Organic Compound... printing volatile organic compound (VOC) rule for approval into the Ohio State Implementation Plan (SIP... mercury at 20 degrees Celsius. This rule also contains the appropriate test methods ] for determining...

  6. End-group-directed self-assembly of organic compounds useful for photovoltaic applications

    Energy Technology Data Exchange (ETDEWEB)

    Beaujuge, Pierre M.; Lee, Olivia P.; Yiu, Alan T.; Frechet, Jean M.J.

    2016-05-31

    The present invention provides for an organic compound comprising electron deficient unit covalently linked to two or more electron rich units. The present invention also provides for a device comprising the organic compound, such as a light-emitting diode, thin-film transistor, chemical biosensor, non-emissive electrochromic, memory device, photovoltaic cells, or the like.

  7. Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms, and organic aerosol

    Science.gov (United States)

    Ng, Nga Lee; Brown, Steven S.; Archibald, Alexander T.; Atlas, Elliot; Cohen, Ronald C.; Crowley, John N.; Day, Douglas A.; Donahue, Neil M.; Fry, Juliane L.; Fuchs, Hendrik; Griffin, Robert J.; Guzman, Marcelo I.; Herrmann, Hartmut; Hodzic, Alma; Iinuma, Yoshiteru; Jimenez, José L.; Kiendler-Scharr, Astrid; Lee, Ben H.; Luecken, Deborah J.; Mao, Jingqiu; McLaren, Robert; Mutzel, Anke; Osthoff, Hans D.; Ouyang, Bin; Picquet-Varrault, Benedicte; Platt, Ulrich; Pye, Havala O. T.; Rudich, Yinon; Schwantes, Rebecca H.; Shiraiwa, Manabu; Stutz, Jochen; Thornton, Joel A.; Tilgner, Andreas; Williams, Brent J.; Zaveri, Rahul A.

    2017-02-01

    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 instrumentation and models, and in organic nitrate and secondary organic aerosol (SOA) formation chemistry. Building on this current understanding, the second half of the review outlines impacts of NO3-BVOC chemistry on air quality and climate, and suggests critical research needs to better constrain this interaction to improve the predictive capabilities of atmospheric models.

  8. Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms, and organic aerosol

    Energy Technology Data Exchange (ETDEWEB)

    Ng, Nga Lee; Brown, Steven S.; Archibald, Alexander T.; Atlas, Elliot; Cohen, Ronald C.; Crowley, John N.; Day, Douglas A.; Donahue, Neil M.; Fry, Juliane L.; Fuchs, Hendrik; Griffin, Robert J.; Guzman, Marcelo I.; Herrmann, Hartmut; Hodzic, Alma; Iinuma, Yoshiteru; Jimenez, José L.; Kiendler-Scharr, Astrid; Lee, Ben H.; Luecken, Deborah J.; Mao, Jingqiu; McLaren, Robert; Mutzel, Anke; Osthoff, Hans D.; Ouyang, Bin; Picquet-Varrault, Benedicte; Platt, Ulrich; Pye, Havala O. T.; Rudich, Yinon; Schwantes, Rebecca H.; Shiraiwa, Manabu; Stutz, Jochen; Thornton, Joel A.; Tilgner, Andreas; Williams, Brent J.; Zaveri, Rahul A.

    2017-01-01

    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 instrumentation and models, and in organic nitrate and secondary organic aerosol (SOA) formation chemistry. Building on this current understanding, the second half of the review outlines impacts of NO3-BVOC chemistry on air quality and climate, and suggests critical research needs to better constrain this interaction to improve the predictive capabilities of atmospheric models.

  9. Influence of ventilation type in volatile organic compounds exposure: poultry case

    OpenAIRE

    Viegas, Susana; Monteiro, ANA; Manteigas, Vítor; Carolino, Elisabete; Viegas, Carla

    2012-01-01

    Agricultural workers especially poultry farmers are at increased risk of occupational respiratory diseases. Epidemiological studies showed increased prevalence of respiratory symptoms and adverse changes in pulmonary function parameters in poultry workers. In poultry production volatile organic compounds (VOCs) presence can be due to some compounds produced by molds that are volatile and are released directly into the air. These are known as microbial volatile organic compounds (MVOCs). Be...

  10. Methods and systems for chemoautotrophic production of organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Curt R.; Che, Austin J.; Shetty, Reshma P.; Kelly, Jason R.

    2013-01-08

    The present disclosure identifies pathways, mechanisms, systems and methods to confer chemoautotrophic production of carbon-based products of interest, such as sugars, alcohols, chemicals, amino acids, polymers, fatty acids and their derivatives, hydrocarbons, isoprenoids, and intermediates thereof, in organisms such that these organisms efficiently convert inorganic carbon to organic carbon-based products of interest using inorganic energy, such as formate, and in particular the use of organisms for the commercial production of various carbon-based products of interest.

  11. Investigation of the Phase Equilibria and Interfacial Properties for Non-polar Fluids

    Institute of Scientific and Technical Information of China (English)

    付东; 赵毅

    2005-01-01

    A self-consistent density-functional theory (DFT) was applied to investigate the phase behavior and interfacial properties of non-polar fluids. For the bulk phases, the theory was reduced to the statistical associating fluid theory(SAFF) that provides accurate descriptions of vapor-liquid phase diagrams below the critical region. The phase diagrams in the critical region were corrected by the renormalization group theory (RGT). The density profile in the surface was obtained by minimizing the grand potential. With the same set of molecular parameters, both the phase equilibria and the interfacial properties of non-polar fluids were investigated satisfactorily.

  12. Characteristics of organic compounds in PM2.5 at urban and remote areas in Korea

    Science.gov (United States)

    Choi, A.; Lee, J.; Shin, H. J.; Lee, M.; Jin seok, H.; Lim, J.

    2016-12-01

    Organic aerosols contain thousands of organic compounds and contribute to 20%-90% of the total fine aerosol mass (Kanakidou et al., 2005). These organic aerosols originate from anthropogenic and natural (biogenic and geologic) sources and alter physical and chemical properties in the atmosphere depending on the atmospheric and meteorological conditions. About one hundred individual organic compounds in PM2.5 at Seoul (urban area) and Baengnyeong Island (remote area) were identified and quantified using gas chromatography/mass spectrometry (GC/MS) in order to understand the characteristics of organic compounds in PM2.5 at these areas. Further, major factors to determine their concentrations in the atmosphere were investigated. Organic compounds analyzed in this study were classified into six groups, n-alkanes, polycyclic aromatic hydrocarbons (PAHs), hopanes, fatty acids (FA), dicarboxylic acids (DCAs), and sugars. Daily variation of organic compounds concentrations at Seoul were not high, while, the concentrations of organic compounds at Baengnyeong Island showed high daily variation. This is might due to frequent change of source strength and/or SOA formation in this region. Through correlations of organic compounds with other air pollutants and factor analysis at both sites, it found that major factors (or source) for the determination of organic compounds concentrations at Seoul and Baengnyeong Island were different. The major sources at Seoul were anthropogenic sources such as vehicular emission and coal combustions, while, SOA formation and biomass burning were more attributed more to the organic compounds concentrations at Baengnyeong Island.References Kanakidou, M., Seinfeld, J.H., Pandis, S.N., Barnes, I., Dentener, F.J., Facchini, M.C., Van Dingenen, R., Ervens, B., Nenes, A., Nielsen, C.J., Swietlicki, E., Putaud, J.P., Balkanski, Y., Fuzzi, S., Horth, J., Moortgat, G.K., Winterhalter, R., Myhre, C.E.L., Tsigaridis, K., Vignati, E., Stephanou, E

  13. Quantum chemical calculations for polymers and organic compounds

    Science.gov (United States)

    Lopez, J.; Yang, C.

    1982-01-01

    The relativistic effects of the orbiting electrons on a model compound were calculated. The computational method used was based on 'Modified Neglect of Differential Overlap' (MNDO). The compound tetracyanoplatinate was used since empirical measurement and calculations along "classical" lines had yielded many known properties. The purpose was to show that for large molecules relativity effects could not be ignored and that these effects could be calculated and yield data in closer agreement to empirical measurements. Both the energy band structure and molecular orbitals are depicted.

  14. Abiotic emissions of methane and reduced organic compounds from organic matter

    Science.gov (United States)

    Roeckmann, T.; Keppler, F.; Vigano, I.; Derendorp, L.; Holzinger, R.

    2012-12-01

    Recent laboratory studies show that the important greenhouse gas methane, but also other reduced atmospheric trace gases, can be emitted by abiotic processes from organic matter, such as plants, pure organic compounds and soils. It is very difficult to distinguish abiotic from biotic emissions in field studies, but in laboratory experiments this is easier because it is possible to carefully prepare/sterilize samples, or to control external parameters. For example, the abiotic emissions always show a strong increase with temperature when temperatures are increased to 70C or higher, well above the temperature optimum for bacterial activity. UV radiation has also been clearly shown to lead to emission of methane and other reduced gases from organic matter. Interesting information on the production mechanism has been obtained from isotope studies, both at natural abundance and with isotope labeling. For example, the methoxyl groups of pectin were clearly identified to produce methane. However, analysis of the isotopic composition of methane from natural samples clearly indicates that there must be other molecular mechanisms that lead to methane production. Abiotic methane generation could be a ubiquitous process that occurs naturally at low rates from many different sources.

  15. Effects of airborne volatile organic compounds on plants.

    Science.gov (United States)

    Cape, J N

    2003-01-01

    Routine measurements of volatile organic compounds (VOCs) in air have shown that average concentrations are very much smaller than those used in laboratory experiments designed to study the effects of VOCs on plants. However, maximum hourly concentrations of some VOCs can be 100 times larger than the average, even in rural air. Experimental studies have rarely extended for longer than a few days, so there is little information on potential long-term effects of exposure to small concentrations. This review considers the available evidence for long-term effects, based on laboratory and field data. Previous reviews of the literature from Germany and the USA are cited, prior to an assessment of the effects of individual VOCs. Although hydrocarbons from vehicle exhausts have been implicated in the observed effects on roadside vegetation, the evidence suggests that it is the nitrogen oxides in the exhaust gases that are mostly responsible. There is evidence that aromatic hydrocarbons can be metabolised in plants, although the fate of the metabolites is not known. There is a large literature on the effects of ethylene, because of its role as a plant hormone. Effects have been reported in the field, in response to industrial emissions, and dose-response experiments over several weeks in laboratory studies have clearly identified the potential for effects at ambient concentrations. The main responses are morphological (e.g. epinasty), which may be reversible, and on the development of flowers and fruit. Effects on seed production may be positive or negative, depending on the exposure concentration. Chlorinated hydrocarbons have been identified as potentially harmful to vegetation, but only one long-term experiment has studied dose-response relationships. As for ethylene, the most sensitive indication of effect was on seed production, although long-term accumulation of trichloroacetic acid in tissue may also be a problem. There is little evidence of the direct effects of

  16. Airborne flux measurements of biogenic volatile organic compounds over California

    Directory of Open Access Journals (Sweden)

    P. K. Misztal

    2014-03-01

    Full Text Available Biogenic Volatile Organic Compound (BVOC fluxes were measured onboard the CIRPAS Twin Otter aircraft as part of the California Airborne BVOC Emission Research in Natural Ecosystem Transects (CABERNET campaign during June 2011. The airborne virtual disjunct eddy covariance (AvDEC approach used measurements from a PTR-MS and a wind radome probe to directly determine fluxes of isoprene, MVK + MAC, methanol, monoterpenes, and MBO over ∼10 000 km of flight paths focusing on areas of California predicted to have the largest emissions of isoprene. The Fast Fourier Transform (FFT approach was used to calculate fluxes over long transects of more than 15 km, most commonly between 50 and 150 km. The Continuous Wavelet Transformation (CWT approach was used over the same transects to also calculate "instantaneous" fluxes with localization of both frequency and time independent of non-stationarities. Vertical flux divergence of isoprene is expected due to its relatively short lifetime and was measured directly using "racetrack" profiles at multiple altitudes. It was found to be linear and in the range 5% to 30% depending on the ratio of aircraft altitude to PBL height (z / zi. Fluxes were generally measured by flying consistently at 400 ± 50 m (a.g.l. altitude, and extrapolated to the surface according to the determined flux divergence. The wavelet-derived surface fluxes of isoprene averaged to 2 km spatial resolution showed good correspondence to Basal Emission Factor (BEF landcover datasets used to drive biogenic VOC (BVOC emission models. The surface flux of isoprene was close to zero over Central Valley crops and desert shrublands, but was very high (up to 15 mg m−2 h−1 above oak woodlands, with clear dependence of emissions on temperature and oak density. Isoprene concentrations of up to 8 ppb were observed at aircraft height on the hottest days and over the dominant source regions. While isoprene emissions from agricultural crop regions

  17. Treatment of Organic Compounds in Reclaimed Wastewater for Groundwater Recharge

    Institute of Scientific and Technical Information of China (English)

    皮运正; 胡俊; 云桂春

    2004-01-01

    To study water quality problems associated with groundwater recharge,a tertiary treatment process,consisting of coagulation,sand filtration,and granular activated carbon (GAC) adsorption,was used in combination with a simulated soil aquifer treatment.The process significantly improved secondary effluent quality.GAC adsorption reduced organic substances expressed by UV-254,dissolved organic carbon as well as partially adsorbable organic halogens.The results of the Ames test show that the secondary effluent contains a high concentration of mutagens.GAC filtration removed adsorbable organic bromine slightly whereas GAC adsorption removed mutagens effectively.The simulated soil aquifer treatment was able to further reduce UV-254,dissolved organic carbon,and adsorbable organic halogens through biodegradation.Adsorbable organic bromine levels were also reduced by the soil aquifer treatment process.The given reclamation technology used for groundwater recharge is of benefit to the removal of dissolved organic carbon,UV-254,adsorbable organic halogens,and mutagenicity.

  18. Characterization of Volatile Organic Compound Profiles of Bacterial Threat Agents

    Science.gov (United States)

    2008-12-01

    compounds contained in the headspace of bacterial cultures (Aathithan et al., 2001, Bunge et al., 2008, Casalinuovo et al., 2006, Lechner et al...Clin. Micro. 39: 2590-2593. Bunge M, Araghipour N, Mikoviny T, Dunkl J, Schnitzhofer R, Hansel A, Schinner F, Wisthaler A, Margesin R, and Mark T

  19. Screening for Anti-Cancer Compounds in Marine Organisms in Oman

    OpenAIRE

    Sergey Dobretsov; Yahya Tamimi; Al-Kindi, Mohamed A.; Ikram Burney

    2016-01-01

    Objectives: Marine organisms are a rich source of bioactive molecules with potential applications in medicine, biotechnology and industry; however, few bioactive compounds have been isolated from organisms inhabiting the Arabian Gulf and the Gulf of Oman. This study aimed to isolate and screen the anti-cancer activity of compounds and extracts from 40 natural products of marine organisms collected from the Gulf of Oman. Methods: This study was carried out between January 2012 and December ...

  20. Interactions of the Calcite {10.4} Surface with Organic Compounds: Structure and Behaviour at Mineral – Organic Interfaces

    DEFF Research Database (Denmark)

    Hakim, S. S.; Olsson, M. H. M.; Sørensen, H. O.

    2017-01-01

    The structure and the strength of organic compound adsorption on mineral surfaces are of interest for a number of industrial and environmental applications, oil recovery, CO2 storage and contamination remediation. Biomineralised calcite plays an essential role in the function of many organisms...... that control crystal growth with organic macromolecules. Carbonate rocks, composed almost exclusively of calcite, host drinking water aquifers and oil reservoirs. In this study, we examined the ordering behaviour of several organic compounds and the thickness of the adsorbed layers formed on calcite {10...

  1. Comparison of the neurotoxicities between volatile organic compounds and fragrant organic compounds on human neuroblastoma SK-N-SH cells and primary cultured rat neurons

    Directory of Open Access Journals (Sweden)

    Yasue Yamada

    2015-01-01

    Full Text Available These are many volatile organic compounds (VOCs that are synthesized, produced from petroleum or derived from natural compounds, mostly plants. Fragrant and volatile organic compounds from plants have been used as food additives, medicines and aromatherapy. Several clinical and pathological studies have shown that chronic abuse of VOCs, mainly toluene, causes several neuropsychiatric disorders. Little is known about the mechanisms of neurotoxicity of the solvents. n-Octanal, nonanal, and 2-ethyl-1-hexanol, which are used catalyzers or intermediates of chemical reactions, are released into the environment. Essential oils have the functions of self-defense, sterilization, and antibiosis in plants. When volatile organic compounds enter the body, there is the possibility that they will pass through the blood–brain barrier (BBB and affect the central nervous system (CNS. However, the direct effects of volatile organic compounds on neural function and their toxicities are still unclear. We compared the toxicities of n-octanal, nonanal and 2-ethyl-1-hexanol with those of five naturally derived fragrant organic compounds (FOCs, linalool, cis-3-hexen-1-ol, isoamyl alcohol, n-propyl alcohol and n-phenethyl alcohol. MTT assay of human neuroblastoma SK-N-SH cells showed that the IC50 values of linalool, cis-3-hexen-1-ol, isoamyl alcohol, n-propyl alcohol and phenethyl alcohol were 1.33, 2.3, >5, >5, and 2.39 mM, respectively, and the IC50 values of toluene, n-octanal, nonanal and 2-ethyl-1-hexanol were 850, 37.2, 8.31 and 15.1 μM, respectively. FOCs showed lower toxicities than those of VOCs. These results indicate that FOCs are safer than other compounds.

  2. Remotion of organic compounds of actual industrial effluents by electron beam irradiation

    Science.gov (United States)

    Sampa, M. H. O.; Duarte, C. L.; Rela, P. R.; Somessari, E. S. R.; Silveira, C. G.; Azevedo, A. L.

    1998-06-01

    Organic compounds has been a great problem of environmental pollution, the traditional methods are not effecient on removing these compounds and most of them are deposited to ambient and stay there for long time causing problems to the environment. Ionizing radiation has been used with success to destroy organic molecules. Actual industrial effluents were irradiated using IPEN's electron beam wastewater pilot plant to study organic compounds degradation. The samples were irradiated with and without air mixture by different doses. Irradiation treatment efficiency was evaluated by the Cromatography Gas Analyses of the samples before and after irradiation. The studied organic compounds were: phenol, chloroform, tetrachloroethylene (PCE), carbon tetrachloride, trichloroethylene (TCE), 1,1-dichloroethane, dichloromethane, benzene, toluene and xilene. A degradation superior to 80% was achieved for the majority of the compounds with air addition and 2kGy delivered dose condition. For the samples that were irradiated without air addition the degradation was higher.

  3. Remotion of organic compounds of actual industrial effluents by electron beam irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Sampa, M.H.O.; Duarte, C.L.; Rela, P.R.; Somessari, E.S.R.; Silveira, C.G.; Azevedo, A.L

    1998-06-01

    Organic compounds has been a great problem of environmental pollution, the traditional methods are not efficient on removing these compounds and most of them are deposited to ambient and stay there for long time causing problems to the environment. Ionizing radiation has been used with success to destroy organic molecules. Actual industrial effluents were irradiated using IPEN's electron beam wastewater pilot plant to study organic compounds degradation. The samples were irradiated with and without air mixture by different doses. Irradiation treatment efficiency was evaluated by the Cromatography Gas Analyses of the samples before and after irradiation. The studied organic compounds were: phenol, chloroform, tetrachloroethylene (PCE), carbon tetrachloride, trichloroethylene (TCE), 1,1-dichloroethane, dichloromethane, benzene, toluene and xilene. A degradation superior to 80% was achieved for the majority of the compounds with air addition and 2kGy delivered dose condition. For the samples that were irradiated without air addition the degradation was higher.

  4. Exposure to Volatile Organic Compounds and Possibility of Exposure to By-product Volatile Organic Compounds in Photolithography Processes in Semiconductor Manufacturing Factories.

    Science.gov (United States)

    Park, Seung-Hyun; Shin, Jung-Ah; Park, Hyun-Hee; Yi, Gwang Yong; Chung, Kwang-Jae; Park, Hae-Dong; Kim, Kab-Bae; Lee, In-Seop

    2011-09-01

    The purpose of this study was to measure the concentration of volatile organic compound (VOC)s originated from the chemicals used and/or derived from the original parental chemicals in the photolithography processes of semiconductor manufacturing factories. A total of four photolithography processes in 4 Fabs at three different semiconductor manufacturing factories in Korea were selected for this study. This study investigated the types of chemicals used and generated during the photolithography process of each Fab, and the concentration levels of VOCs for each Fab. A variety of organic compounds such as ketone, alcohol, and acetate compounds as well as aromatic compounds were used as solvents and developing agents in the processes. Also, the generation of by-products, such as toluene and phenol, was identified through a thermal decomposition experiment performed on a photoresist. The VOC concentration levels in the processes were lower than 5% of the threshold limit value (TLV)s. However, the air contaminated with chemical substances generated during the processes was re-circulated through the ventilation system, thereby affecting the airborne VOC concentrations in the photolithography processes. Tens of organic compounds were being used in the photolithography processes, though the types of chemical used varied with the factory. Also, by-products, such as aromatic compounds, could be generated during photoresist patterning by exposure to light. Although the airborne VOC concentrations resulting from the processes were lower than 5% of the TLVs, employees still could be exposed directly or indirectly to various types of VOCs.

  5. Performance of rotating drum biofilter for volatile organic compound removal at high organic loading rates

    Institute of Scientific and Technical Information of China (English)

    YANG Chunping; CHEN Hong; ZENG Guangming; ZHU Xueqing; SUIDAN Makram T

    2008-01-01

    Uneven distribution of volatile organic compounds (VOCs) and biomass,and excess biomass accumulation in some biofilters hinder the application of biofiltration technology.An innovative multilayer rotating drum biofilter (RDB) was developed to correct these problems.The RDB was operated at an empty bed contact time (EBCT) of 30 s and a rotational rate of 1.0 r/rain.Diethyl ether was chosen as the model VOC.Performance of the RDB was evaluated at organic loading rates of 32.1,64.2,128,and 256 g ether/(m3·h) (16.06 g ether/(m3·h) ≈1.0 kg chemical oxygen demand (COD)/(m3·d)).The EBCT and organic loading rates were recorded on the basis of the medium volume.Results show that the ether removal efficiency decreased with an increased VOC loading rate.Ether removal efficiencies exceeding 99% were achieved without biomass control even at a high VOC loading rate of 128 g ether/(m3·h). However,when the VOC loading rate was increased to 256 g ether/(m3·h),the average removal efficiency dropped to 43%.Nutrient limitation possibly contributed to the drop in ether removal efficiency.High biomass accumulation rate was also observed in the medium at the two higher ether loading rates,and removal of the excess biomass in the media was necessary to maintain stable performance. This work showed that the RDB is effective in the removal of diethyl ether from waste gas streams even at high organic loading rates. The results might help establish criteria for designing and operating RDBs.

  6. Influence of Atmospheric Organic Compounds on Cloud Microphysics.

    Science.gov (United States)

    Shulman, Michelle Lee

    With the knowledge that polar organic constituents such as difunctional organic oxygenates contribute significantly to particulate matter in the atmosphere, the motivation for this research was to understand the influence of polar organic matter on cloud microphysical processes that affect both the equilibrium thermodynamics and kinetics of nucleating cloud droplets. To understand the equilibrium condition of polar organics in growing, diluting droplets, solubility and surface tension measurements were made for a group of difunctional organic oxygenates that have been detected consistently in the atmosphere. The organics chosen as models included short chain dicarboxylic acids (C _2-C_6), phthalic acid, cis-pinonic acid. The dicarboxylic acids and phthalic acid are generated from the incomplete combustion of fossil fuels, and cis-pinonic acid originates from the oxidation of alpha-pinene emitted from coniferous trees. From the solubility information, the dissolution behavior is shown to alter the growth characteristics of a nucleating cloud droplet. From the surface tension studies, the growth characteristics are also shown to be further influenced by the organic. To understand the affect of difunctional organic oxygenates on the transport of water at the air/water interface of single droplets, the evaporation rate of aqueous systems containing the model organics were measured. Light scattering techniques were used to measure the droplet size as a function of time for electrodynamically levitated single microdroplets under conditions of controlled humidity and temperature. The evaporation rates are compared to that of pure water and are found to be reduced by up to an order of magnitude. In addition, the evaporation rates are found to be correlated with the surface tension of the aqueous solution containing the organic. Due to the complex nature of the atmosphere, the arena of observation and experimentation was limited to the laboratory for this thesis work.

  7. Role of Aerosol Liquid Water in Secondary Organic Aerosol Formation from Volatile Organic Compounds.

    Science.gov (United States)

    Faust, Jennifer A; Wong, Jenny P S; Lee, Alex K Y; Abbatt, Jonathan P D

    2017-02-07

    A key mechanism for atmospheric secondary organic aerosol (SOA) formation occurs when oxidation products of volatile organic compounds condense onto pre-existing particles. Here, we examine effects of aerosol liquid water (ALW) on relative SOA yield and composition from α-pinene ozonolysis and the photooxidation of toluene and acetylene by OH. Reactions were conducted in a room-temperature flow tube under low-NOx conditions in the presence of equivalent loadings of deliquesced (∼20 μg m(-3) ALW) or effloresced (∼0.2 μg m(-3) ALW) ammonium sulfate seeds at exactly the same relative humidity (RH = 70%) and state of wall conditioning. We found 13% and 19% enhancements in relative SOA yield for the α-pinene and toluene systems, respectively, when seeds were deliquesced rather than effloresced. The relative yield doubled in the acetylene system, and this enhancement was partially reversible upon drying the prepared SOA, which reduced the yield by 40% within a time scale of seconds. We attribute the high relative yield of acetylene SOA on deliquesced seeds to aqueous partitioning and particle-phase reactions of the photooxidation product glyoxal. The observed range of relative yields for α-pinene, toluene, and acetylene SOA on deliquesced and effloresced seeds suggests that ALW plays a complicated, system-dependent role in SOA formation.

  8. Chains, clusters, inclusion compounds, paramagnetic labels, and organic rings

    CERN Document Server

    Zanello, P

    1994-01-01

    The role of stereochemistry to elucidate reaction patterns and physico-chemical properties in topical subjects ranging from inorganic to organic chemistry are treated in the fifth and final volume of this series. Detailed accounts are given to study: chaining in polyphosphates, electron-transfers in carbonyl clusters, inclusion of organometallic molecules in cyclodextrins, stereochemistry of paramagnetic metal complexes by labeling with nitroxyl radicals, stereocontrol in organic syntheses assisted by inorganic complexes.

  9. Prediction of Partition Coefficients of Organic Compounds for SPME/PDMS

    Directory of Open Access Journals (Sweden)

    Liao Hsuan-Yu

    2016-01-01

    Full Text Available The partition coefficients of 51 organic compounds between SPME/PDMS and gas were compiled from the literature sources in this study. The effect of physicochemical properties and descriptors on the partitioning process of partition coefficients was explicated by the correlation analysis. The PDMS-gas partition coefficients were well correlated to the molecular weight of organic compounds (r = 0.832, p < 0.05. An empirical model, consisting of the molecular weight and the polarizability, was developed to appropriately predict the partition coefficients of organic compounds. The empirical model for estimating the PDMS-gas partition coefficient will contribute to the practical applications of the SPME technique.

  10. Binary systems solubilities of inorganic and organic compounds, v.1 pt.2

    CERN Document Server

    Stephen, H

    2013-01-01

    Solubilities of Inorganic and Organic Compounds, Volume 1: Binary Systems, Part 1 is part of an approximately 5,500-page manual containing a selection from the International Chemical Literature on the Solubilities of Elements, Inorganic Compounds, Metallo-organic and Organic Compounds in Binary, Ternary and Multi-component Systems. A careful survey of the literature in all languages by a panel of scientists specially appointed for the task by the U.S.S.R. Academy of Sciences, Moscow, has made the compilation of this work possible. The complete English edition in five separately bound volumes w

  11. Acidic organic compounds in beverage, food, and feed production.

    Science.gov (United States)

    Quitmann, Hendrich; Fan, Rong; Czermak, Peter

    2014-01-01

    Organic acids and their derivatives are frequently used in beverage, food, and feed production. Acidic additives may act as buffers to regulate acidity, antioxidants, preservatives, flavor enhancers, and sequestrants. Beneficial effects on animal health and growth performance have been observed when using acidic substances as feed additives. Organic acids could be classified in groups according to their chemical structure. Each group of organic acids has its own specific properties and is used for different applications. Organic acids with low molecular weight (e.g. acetic acid, lactic acid, and citric acid), which are part of the primary metabolism, are often produced by fermentation. Others are produced more economically by chemical synthesis based on petrochemical raw materials on an industrial scale (e.g. formic acid, propionic and benzoic acid). Biotechnology-based production is of interest due to legislation, consumer demand for natural ingredients, and increasing environmental awareness. In the United States, for example, biocatalytically produced esters for food applications can be labeled as "natural," whereas identical conventional acid catalyst-based molecules cannot. Natural esters command a price several times that of non-natural esters. Biotechnological routes need to be optimized regarding raw materials and yield, microorganisms, and recovery methods. New bioprocesses are being developed for organic acids, which are at this time commercially produced by chemical synthesis. Moreover, new organic acids that could be produced with biotechnological methods are under investigation for food applications.

  12. Dissolved organic carbon enhances the mass transfer of hydrophobic organic compounds from Nonaqueous Phase Liquids (NAPLs) into the aqueous phase

    NARCIS (Netherlands)

    Smith, K.E.C.; Thullner, M.; Wick, L.Y.; Harms, H.

    2011-01-01

    The hypothesis that dissolved organic carbon (DOC) enhances the mass transfer of hydrophobic organic compounds from nonaqueous phase liquids (NAPLs) into the aqueous phase above that attributable to dissolved molecular diffusion alone was tested. In controlled experiments, mass transfer rates of

  13. AQUATIC PHOTOLYSIS OF OXY-ORGANIC COMPOUNDS ADSORBED ON GOETHITE.

    Science.gov (United States)

    Goldberg, Marvin C.

    1985-01-01

    Organic materials that will not absorb light at wavelengths longer than 295 nanometers (the solar wavelength cutoff) may nevertheless, undergo electron transfer reactions initiated by light. These reactions occur when the organic materials are adsorbed as ligand complexes to the surface of iron oxy-hydroxide (goethite). The adsorbed materials can be either inner or outer coordination sphere complexes. Goethite was chosen as the iron oxyhydroxide surface because it has the highest thermodynamic stability of any of the oxyhydroxides in water and it can be synthesized easily, with high purity.

  14. Methodologies to assess the fate of polar organic compounds in aquatic environments

    OpenAIRE

    Magnér, Jörgen

    2010-01-01

    Polar organic compounds (POCs) are chemicals with polar functional groups in their structure. The functional groups make the compounds hydrophilic and less prone to partition with biota. However, the knowledge of their fate is limited due to difficulties associated with their measurements. Although, the persistence of POCs in the environment is generally low, they are considered to be semi-persistent compounds due to their continuous introduction to the environment via wastewater. Studies hav...

  15. Lignin Peroxidase Oxidation of Aromatic Compounds in Systems Containing Organic Solvents

    OpenAIRE

    Vazquez-Duhalt, Rafael; Westlake, Donald W. S.; Fedorak, Phillip M.

    1994-01-01

    Lignin peroxidase from Phanerochaete chrysosporium was used to study the oxidation of aromatic compounds, including polycyclic aromatic hydrocarbons and heterocyclic compounds, that are models of moieties of asphaltene molecules. The oxidations were done in systems containing water-miscible organic solvents, including methanol, isopropanol, N, N-dimethylformamide, acetonitrile, and tetrahydrofuran. Of the 20 aromatic compounds tested, 9 were oxidized by lignin peroxidase in the presence of hy...

  16. Fruit tree model for uptake of organic compounds from soil

    DEFF Research Database (Denmark)

    Trapp, Stefan; Rasmussen, D.; Samsoe-Petersen, L.

    2003-01-01

    soils, regressions or models are in use, which were not intended to be used for tree fruits. A simple model for uptake of neutral organic contaminants into fruits is developed. It considers xylem and phloem transport to fruits through the stem. The mass balance is solved for the steady...

  17. Solvent-based dissolution method to sample gas-phase volatile organic compounds for compound-specific isotope analysis.

    Science.gov (United States)

    Bouchard, Daniel; Hunkeler, Daniel

    2014-01-17

    An investigation was carried out to develop a simple and efficient method to collect vapour samples for compound specific isotope analysis (CSIA) by bubbling vapours through an organic solvent (methanol or ethanol). The compounds tested were benzene and trichloroethylene (TCE). The dissolution efficiency was tested for different air volume injections, using flow rates ranging from 25ml/min to 150ml/min and injection periods varying between 10 and 40min. Based on the results, complete mass recovery for benzene and TCE in both solvents was observed for the flow rates of 25 and 50ml/min. However, small mass loss was observed at increased flow rate. At 150ml/min, recovery was on average 80±17% for benzene and 84±10% for TCE, respectively in methanol and ethanol. The δ(13)C data measured for benzene and TCE dissolved in both solvents were reproducible and were stable independently of the volume of air injected (up to 6L) or the flow rate used. The stability of δ(13)C values hence underlines no isotopic fractionation due to compound-solvent interaction or mass loss. The development of a novel and simple field sampling technique undertaken in this study will facilitate the application of CSIA to diverse gas-phase volatile organic compound studies, such as atmospheric emissions, soil gas or vapour intrusion.

  18. PREDICTION OF CHEMICAL REACTIVITY PARAMETERS AND PHYSICAL PROPERTIES OF ORGANIC COMPOUNDS FROM MOLECULAR STRUCTURE USING SPARC

    Science.gov (United States)

    The computer program SPARC (SPARC Performs Automated Reasoning in Chemistry) has been under development for several years to estimate physical properties and chemical reactivity parameters of organic compounds strictly from molecular structure. SPARC uses computational algorithms...

  19. Differential effects of organic compounds on cucumber damping-off and biocontrol activity of antagonistic bacteria

    DEFF Research Database (Denmark)

    Li, Bin; Ravnskov, Sabine; Guanlin, X.;

    2011-01-01

    The influence of the organic compounds tryptic soy broth, cellulose, glucose and chitosan on cucumber damping-off caused by Pythium aphanidermatum and biocontrol efficacy of the biocontrol agents (BCAs) Paenibacillus macerans and P. polymyxa were examined in a seedling emergence bioassay. Results...... showed that the organic compounds differentially affected both pathogen and BCAs. Tryptic soy broth, glucose and chitosan increased Pythium damping-off of cucumber, compared to the control treatment without organic compounds, whereas cellulose had no effect. Both Paenibacillus species had biocontrol...... effects against Pythium damping-off compared with the corresponding treatments with P. aphanidermatum alone, but the biocontrol efficacy depended on the type of organic compounds added. Both BCAs counteracted damping-off in treatments with TSB and chitosan. However, P. polymyxa counteracted damping...

  20. Analysis of breath volatile organic compounds as a screening tool for detection of Tuberculosis in cattle

    Science.gov (United States)

    • Keywords: bovine tuberculosis; Mycobacterium bovis; breath analysis; volatile organic compound; gas chromatography; mass spectrometry; NaNose • Introduction: This presentation describes two studies exploring the use of breath VOCs to identify Mycobacterium bovis infection in cattle. • Methods: ...

  1. Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Based on theoretical linear solvation energy relationship and quantum chemical descriptors computed by AM1 Hamiltonian, a new model is developed to predict the partitioning of some volatile organic compounds between the plant cuticular matrix and air.

  2. Factors that influence the volatile organic compound content in human breath

    NARCIS (Netherlands)

    Blanchet, L.; Smolinska, Agnieszka; Baranska, Agnieszka; Tigchelaar-Feenstra, E.; Swertz, M.; Zhernakova, A.; Dallinga, J. W.; Wijmenga, C.; van Schooten, Frederik J.

    Background. Thousands of endogenous and exogenous volatile organic compounds (VOCs) are excreted in each breath. Inflammatory and deviant metabolic processes affect the level of endogeneous VOCs, which can serve as specific biomarkers for clinical diagnosis and disease monitoring. Important issues

  3. PREDICTION OF THE VAPOR PRESSURE, BOILING POINT, HEAT OF VAPORIZATION AND DIFFUSION COEFFICIENT OF ORGANIC COMPOUNDS

    Science.gov (United States)

    The prototype computer program SPARC has been under development for several years to estimate physical properties and chemical reactivity parameters of organic compounds strictly from molecular structure. SPARC solute-solute physical process models have been developed and tested...

  4. APPLICATION OF MICROWAVE IRRADIATION FOR THE TREATMENT OF ADSORBED VOLATILE ORGANIC COMPOUNDS ON GRANULAR ACTIVATED CARBON

    National Research Council Canada - National Science Library

    A Dehdashti; A Khavanin; A Rezaee; H Assilian; M Motalebi

    2011-01-01

      The purpose of this laboratory scale experimental research was to investigate the application of integrated microwave irradiation and granular activated carbon adsorption for removing volatile organic compounds (VOCs...

  5. Origin of the Soluble Organic Compounds from Martian Regolith Breccia NWA 7533 by Orbitrap Spectrometry

    Science.gov (United States)

    Orthous-Daunay, F. R.; Thissen, R.; Flandinet, L.; Néri, A.; Vuitton, V.; Beck, P.

    2014-09-01

    We present an Orbitrap study of the organic compounds extracted from NWA 7533 bulk rock. We describe its molecular complexity with respect to a chondritic reference (Murchison). We discuss the chemical processes occuring on Mars surface.

  6. Promotion of plant growth by Pseudomonas fluorescens strain SS101 via novel volatile organic compounds

    NARCIS (Netherlands)

    Park, Yong-Soon; Dutta, Swarnalee; Ann, Mina; Raaijmakers, Jos M.; Park, Kyungseok

    2015-01-01

    Abstract Volatile organic compounds (VOCs) from plant growth-promoting rhizobacteria (PGPR) play key roles in modulating plant growth and induced systemic resistance (ISR) to pathogens. Despite their significance, the physiological functions of the specific VOCs produced by Pseudomonas fluorescens

  7. VOLATILE ORGANIC COMPOUNDS INHIBIT HUMAN AND RAT NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS EXPRESSED IN XENOPUS OOCYTES.

    Science.gov (United States)

    This manuscript provides evidence to indicate that rats and humans are equally sensitive at the pharmacodynamic level to effects of volatile organic compounds.? This manuscript also presents novel data that provides a plausible mechanism, disruption of ion channel functi...

  8. PREDICTION OF CHEMICAL REACTIVITY PARAMETERS AND PHYSICAL PROPERTIES OF ORGANIC COMPOUNDS FROM MOLECULAR STRUCTURE USING SPARC

    Science.gov (United States)

    The computer program SPARC (SPARC Performs Automated Reasoning in Chemistry) has been under development for several years to estimate physical properties and chemical reactivity parameters of organic compounds strictly from molecular structure. SPARC uses computational algorithms...

  9. VOLATILE ORGANIC COMPOUND EMISSION RATES FROM MIXED DECIDUOUS AND CONIFEROUS FORESTS IN NORTHERN WISCONSIN, USA

    Science.gov (United States)

    Biogenic emissions of volatile organic compounds (VOC) from forests play an important role in regulating the atmospheric trace gas composition including global tropospheric ozone concentrations. However, more information is needed on VOC emission rates from different forest regio...

  10. Plant-associated bacterial degradation of toxic organic compounds in soil.

    LENUS (Irish Health Repository)

    McGuinness, Martina

    2009-08-01

    A number of toxic synthetic organic compounds can contaminate environmental soil through either local (e.g., industrial) or diffuse (e.g., agricultural) contamination. Increased levels of these toxic organic compounds in the environment have been associated with human health risks including cancer. Plant-associated bacteria, such as endophytic bacteria (non-pathogenic bacteria that occur naturally in plants) and rhizospheric bacteria (bacteria that live on and near the roots of plants), have been shown to contribute to biodegradation of toxic organic compounds in contaminated soil and could have potential for improving phytoremediation. Endophytic and rhizospheric bacterial degradation of toxic organic compounds (either naturally occurring or genetically enhanced) in contaminated soil in the environment could have positive implications for human health worldwide and is the subject of this review.

  11. Phenolic compounds and fatty acid composition of organic and conventional grown pecan kernels

    Science.gov (United States)

    In this study, differences in contents of phenolic compounds and fatty acids in pecan kernels of organically versus conventionally grown pecan cultivars (‘Desirable’, ‘Cheyenne’, and ‘Wichita’) were evaluated. Although we were able to identify nine phenolic compounds (gallic acid, catechol, catechin...

  12. 77 FR 10424 - Approval and Promulgation of Implementation Plans; Wisconsin; Volatile Organic Compound Emission...

    Science.gov (United States)

    2012-02-22

    ... Compound Emission Control Measures for Milwaukee and Sheboygan Ozone Nonattainment Areas AGENCY... organic compound (VOC) rules for approval into its State Implementation Plan (SIP). The purpose of these... millimeters (mm) of mercury (Hg) and the solvent or solvent solution must be collected and stored in...

  13. Case study: Comparison of biological active compounds in milk from organic and conventional dairy herds

    Science.gov (United States)

    Conflicting reports of the quantities of biologically active compounds present in milk from organic grass-fed and conventional herds show that more research is required, especially as these compounds are linked to human health benefits and can improve the health value consumers place on dairy produc...

  14. Application of Genetic Programming in Predicting Infinite Dilution Activity Coefficients of Organic Compounds in Water

    Institute of Scientific and Technical Information of China (English)

    Yi Lin CAO; Huan Ying LI

    2003-01-01

    In this paper, we calculated 37 structural descriptors of 174 organic compounds. The154 molecules were used to derive quantitative structure-infinite dilution activity coefficientrelationship by genetic programming, the other 20 compounds were used to test the model. Theresult showed that molecular partition property and three-dimensional structural descriptors havesignificant influence on the infinite dilution activity coefficients.

  15. Organic compounds downstream from a treated-wastewater discharge near Dallas, Texas, March 1987

    Science.gov (United States)

    Buszka, P.M.; Barber, L.B.; Schroeder, M.P.; Becker, L.D.

    1994-01-01

    Water and streambed-sediment samples were collected on March 9 and 10,1987 from one site upstream and three sites downstream of the discharge from a municipal wastewater-treatment plant on Rowlett Creek near Dallas, Texas. To extract and separate organic compounds, purgeand-trap, closed-loop stripping, and pH-adjusted solvent extraction methods were used for water samples; and a Soxhlet-solvent extraction method was used for streambed sediment. These methods were combined with gas chromatography/mass spectrometry to identify organic compounds in Rowlett Creek. Results from this study confirm the persistence of many organic compounds in water as far as 13.5 kilometers downstream of the wastewater discharge. These include: (1) the volatile organic compounds chloroform, 1,2-dichlorobenzene, 1,4-dichlorobenzene, tetrachloroethene, and trichloroethene; (2) several linear alkylbenzene compounds, octyl phenol, and a tetramethylbutyl phenol isomer that are related to detergent use; (3) 9-phenyl-9H-carbazole, a compound related to coal tars and coal combustion residues; and (4) caffeine. The only compound present in water in concentrations greater than U.S. Environmental Protection Agency maximum contaminant levels for drinking water was tetrachloroethene (6.0 micrograms per liter) in a sample collected 13.5 kilometers downstream from the waste water discharge. Compounds identified from the streambed-sediment samples include a xylene isomer at 7.7 kilometers downstream and chrysene, fluoranthene, pyrene, and a xylene isomer at 13.5 kilometers downstream from the wastewater discharge.

  16. Emission of volatile organic compounds and production of secondary organic aerosol from stir-frying spices.

    Science.gov (United States)

    Liu, Tengyu; Liu, Qianyun; Li, Zijun; Huo, Lei; Chan, ManNin; Li, Xue; Zhou, Zhen; Chan, Chak K

    2017-12-01

    Cooking is an important source of volatile organic compounds (VOCs) and a potential source of secondary organic aerosol (SOA) both indoors and outdoors. In this study, VOC emissions from heating corn oil and stir-frying spices (i.e. garlic, ginger, myrcia and zanthoxylum piperitum (Sichuan pepper)) were characterized using an on-line membrane inlet vacuum ultraviolet single-photon ionization time-of-flight mass spectrometer (VUV-SPI-TOFMS). VOC emissions from heating corn oil were dominated by aldehydes, which were enhanced by factors of one order of magnitude when stir-frying spices. Stir-frying any of the spices studied generated large amounts of methylpyrrole (m/z 81). In addition, stir-frying garlic produced abundant dihydrohydroxymaltol (m/z 144) and diallyldisulfide (DADS) (m/z 146), while stir-frying ginger, myrcia and zanthoxylum piperitum produced abundant monoterpenes (m/z 136) and terpenoids (m/z 152, 154). SOA formed from emissions of stir-frying spices through reactions with excess ozone in a flow reactor as well as primary organic aerosol (POA) emissions were characterized using a scanning mobility particle sizer (SMPS) and a high-resolution time-of-flight aerosol mass spectrometer (HR-TOF-AMS). Stir-frying garlic and ginger generated similar POA concentrations to those from heating corn oil while stir-frying myrcia and zanthoxylum piperitum generated double the amount of emissions. No SOA was observed from stir-frying garlic and ginger. The rates of SOA production from stir-frying myrcia and zanthoxylum piperitum were 1.8μgmin(-1)gspice(-1) and 8.7μgmin(-1)gspice(-1), equivalent to 13.4% and 53.1% of their own POA emission rates, respectively. Therefore, the contribution of stir-frying spices to ambient organic aerosol levels is likely dominated by POA. The rates of total terpene emission from stir-frying myrcia and zanthoxylum piperitum were estimated to be 5.1μgmin(-1)gspice(-1) and 24.9μgmin(-1)gspice(-1), respectively. Our results suggest

  17. Maximizing Information from Residential Measurements of Volatile Organic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Maddalena, Randy [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Li, Na [Berkeley Analytical Associates, Richmond, CA (United States); Hodgson, Alfred [Berkeley Analytical Associates, Richmond, CA (United States); Offermann, Francis [Indoor Environmental Engineering, San Francisco, CA (United States); Singer, Brett [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2013-02-01

    Continually changing materials used in home construction and finishing can introduce new chemicals or changes in the VOC profile in residential air and the trend towards tighter homes can lead to higher exposure concentrations for many indoor sources. However, the complex mixture of VOCs in residential air makes it difficult to discover emerging contaminants and/or trends in pollutant profiles. The purpose of this study is to prepare a comprehensive library of chemicals found in homes, along with a semi-quantitative approach to maximize the information gained from VOC measurements. We carefully reviewed data from 108 new California homes and identified 238 individual compounds. The majority of the identified VOCs originated indoors. Only 31% were found to have relevant health based exposure guidelines and less than 10% had a chronic reference exposure level (CREL). The finding highlights the importance of extending IAQ studies to include a wider range of VOCs

  18. Nature of Electronically Excited States of Organic Compounds and Processes of Nonradiative Conversion

    Science.gov (United States)

    Mayer, G. V.; Plotnikov, V. G.; Artyukhov, V. Ya.

    2016-08-01

    Models of quantum-chemical calculation of rate constants for internal processes and intersystem crossing in polyatomic molecules are considered. The influence of the nature of electronically excited states in organic compounds is investigated. It is shown that the explicit allowance for the nature of wave functions of electronic states for estimation of electronic matrix elements of nonadiabaticity operators and spin-orbit interaction allows photophysical processes in organic compounds to be considered in detail.

  19. Rapid changes of induced volatile organic compounds in Pinus massoniana

    Institute of Scientific and Technical Information of China (English)

    REN Qin; JIN Youju; HU Yongiian; CHEN Huajun; LI Zhenyu

    2007-01-01

    Using the thermal-desorption cold trap gas chromatography/mass spectrometer(TCT-GC-MS)technique,the composition and relative contents of volatile compounds were analyzed in undamaged(control),insect-damaged(ID)and artificially-damaged(AD)leaves ofPinus massoniana in field at different times and levels of damage.Results showed that although volatile substances were highly released earlier in AD leaves plants,they were significantly less abundant in AD than in ID leaves treatments.Also,the damage level considerably influenced the changes of induced volatile products from leaves.Compared with the control,the emission rate of camphene,β-pinene,phellandrene,caryophyllene and(E)farnesene was high after 1 h in 25%-40% ID-affected leaves,whereas that of tricyclene,myrcene,camphene,β-Pinene,phellandrene and caryophyllene reached its maximum after 24 h in 60%-75% D-affected leaves.In the same manner,some volatile compounds in the AD leaves treatment displayed their peaks just after 1 h,but others after 24 h.The AD and ID leaves at the damage level of 25%-40% did not exhibit an obvious regularity with time;however,in 60%- 75% AD leaves,peaks of volatile substances were attained after 1 or 2 h.Our results also showed that the relative content ofβ-pinene increased and was higher in damaged than control plants,β-pinene plays an important role in inducing the insect resistance of P.massoniana trees.

  20. Sensing of volatile organic compounds by copper phthalocyanine thin films

    Science.gov (United States)

    Ridhi, R.; Saini, G. S. S.; Tripathi, S. K.

    2017-02-01

    Thin films of copper phthalocyanine have been deposited by thermal evaporation technique. We have subsequently exposed these films to the vapours of methanol, ethanol and propanol. Optical absorption, infrared spectra and electrical conductivities of these films before and after exposure to chemical vapours have been recorded in order to study their sensing mechanisms towards organic vapours. These films exhibit maximum sensing response to methanol while low sensitivities of the films towards ethanol and propanol have been observed. The changes in sensitivities have been correlated with presence of carbon groups in the chemical vapours. The effect of different types of electrodes on response-recovery times of the thin film with organic vapours has been studied and compared. The electrodes gap distance affects the sensitivity as well as response-recovery time values of the thin films.

  1. 77 FR 16981 - Air Quality: Revision to Definition of Volatile Organic Compounds-Exclusion of a Group of Four...

    Science.gov (United States)

    2012-03-23

    ... AGENCY 40 CFR Part 51 RIN 2060-AO17 Air Quality: Revision to Definition of Volatile Organic Compounds... organic compounds (VOCs) for purposes of preparing State Implementation Plans (SIPs) to attain the... VOCs that can be released into the atmosphere. VOCs are those organic compounds of carbon which...

  2. 78 FR 62451 - Air Quality: Revision to Definition of Volatile Organic Compounds-Exclusion of 2,3,3,3...

    Science.gov (United States)

    2013-10-22

    ... AGENCY 40 CFR Part 51 RIN 2060-AR70 Air Quality: Revision to Definition of Volatile Organic Compounds.... SUMMARY: The EPA is taking final action to revise the regulatory definition of volatile organic compounds... those organic compounds of carbon that form ozone through atmospheric photochemical reactions....

  3. Method for spiking soil samples with organic compounds

    DEFF Research Database (Denmark)

    Brinch, Ulla C; Ekelund, Flemming; Jacobsen, Carsten S

    2002-01-01

    We examined the harmful side effects on indigenous soil microorganisms of two organic solvents, acetone and dichloromethane, that are normally used for spiking of soil with polycyclic aromatic hydrocarbons for experimental purposes. The solvents were applied in two contamination protocols to either...... the whole soil sample or 25% of the soil volume, which was subsequently mixed with 75% untreated soil. For dichloromethane, we included a third protocol, which involved application to 80% of the soil volume with or without phenanthrene and introduction of Pseudomonas fluorescens VKI171 SJ132 genetically...

  4. Chemical evolution and the preservation of organic compounds on Mars

    Science.gov (United States)

    Kanavarioti, Anastassia; Mancinelli, Rocco L.

    1989-01-01

    Several lines of evidence suggest that the environment on early Mars and early Earth were very similar. Since life is abundant on Earth, it seems likely that conditions on early Earth were conducive to chemical evolution and the origin of life. The similarity between early Mars and early Earth encourages the hypothesis that chemical evolution might have also occurred on Mars, but that decreasing temperatures and the loss of its atmosphere brought the evolution to a halt. The possibility of finding on Mars remnants of organic material dating back to this early clement period is addressed.

  5. Remove volatile organic compounds (VOCs) with membrane separation techniques

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Membrane separation, a new technology for removing VOCs including pervaporation, vapor permeation, membrane contactor, and membrane bioreactor was presented. Comparing with traditional techniques, these special techniques are an efficient and energy-saving technology. Vapor permeation can be applied to recovery of organic solvents from exhaust streams. Membrane contactor could be used for removing or recovering VOCs from air or wastewater. Pervaporation and vapor permeation are viable methods for removing VOCs from wastewater to yield a VOC concentrate which could either be destroyed by conventional means, or be recycled for reuse.

  6. Bioactivity of volatile organic compounds produced by Pseudomonas tolaasii

    Directory of Open Access Journals (Sweden)

    Pietro eLo Cantore

    2015-10-01

    Full Text Available Pseudomonas tolaasii is the main bacterial pathogen of several mushroom species. In this paper we report that strains of P. tolaasii produce volatile substances inducing in vitro mycelia growth inhibition of Pleurotus ostreatus and P. eryngii, and Agaricus bisporus and P. ostreatus basidiome tissue blocks brown discoloration. P. tolaasii strains produced the volatile ammonia but not hydrogen cyanide. Among the volatiles detected by GC-MS, methanethiol, dimethyl disulfide, and 1-undecene were identified. The latter, when assayed individually as pure compounds, led to similar effects noticed when P. tolaasii volatiles natural blend was used on mushrooms mycelia and basidiome tissue blocks. Furthermore, the natural volatile mixture, resulted toxic toward lettuce and broccoli seedling growth. In contrast, pure volatiles showed different activity according to their nature and/or doses applied. Indeed, methanethiol resulted toxic at all the doses used, while dimethyl disulfide toxicity was assessed till a quantity of 1.25 µg, below which it caused, together with 1-undecene ( 10 µg, broccoli growth increase.

  7. Volatile organic compounds in the air of Izmir, Turkey

    Science.gov (United States)

    Muezzinoglu, Aysen; Odabasi, Mustafa; Onat, Levent

    A sampling program was conducted to determine the ambient VOC levels in the city of Izmir, Turkey during daytime and overnight periods between mid-August and mid-September 1998. Sampling sites were selected at high-density traffic roads and junctions far from stationary VOC sources. Samples were analyzed for benzene, toluene, m, p-xylene and o-xylene (BTX), alkylbenzenes (ethylbenzene, 1,3,5-trimethylbenzene, 1,2,4-trimethylbenzene), n-hexane and, n-heptane. Results were compared with similar data from other cities around the world and for probable health dangers and sources of the compounds. Results of this study indicated that Izmir has rather high ambient BTX concentrations compared to many polluted cities in the world. Toluene was the most abundant VOC in Izmir air and was followed by xylenes, benzene and alkylbenzenes, respectively. All were strongly dependent on the expected daily variations of traffic flow in the city. The concentrations of other VOCs correlated well with benzene concentration at most sampling sites, excluding Gumuldur station indicating that ambient VOC levels were mainly affected by motor vehicle emissions. The toluene-to-benzene ratios for urban and non-urban sites were in good agreement with previously reported values, indicating a good relationship between the motor vehicle emissions and ambient VOC levels.

  8. Structural Characterization and Toxicity Prediction of Some Organic Compounds

    Institute of Scientific and Technical Information of China (English)

    LIAO Li-Mia; LI Jian-Feng; WANG Bi

    2011-01-01

    A new molecular structural characterization(MSC)method called molecular vertexes correlative index(MVCI)was constructed in this paper.The index was used to describe the structures of 45 compounds and a quantitative structure-activity relationship(QSAR)model of toxicity(–lgEC50)was obtained through multiple linear regression(MLR)and stepwise multiple regression(SMR).The correlation coefficient(R)of the model was 0.912,and the standard deviation(SD)of the model was 0.525.The estimation stability and prediction ability of the model were strictly analyzed by both internal and external validations.The Leave-One-Out(LOO)Cross-Validation(CV)correlation coefficient(RCV)was 0.816 and the standard deviation(SDCV)was 0.739,respectively.For the external validation,the correlation coefficient(Rtest)was 0.905 and the standard deviation(SDtest)was 0.520,respectively.The results showed that the index was superior in molecular structural representation.The stability and predictability of the model were good.

  9. Distribution and biological turnover of dissolved organic compounds in the water column of the Black Sea

    Science.gov (United States)

    Mopper, Kenneth; Kieber, David J.

    Water column concentrations and turnover rates were determined for a suite of low molecular weight organic compounds in the Black Sea. The classes of compounds studied included amino acids, simple sugars, α-keto acids, aldehydes, ketones, carboxylic acids, flavins and thiols. Our study yielded some new insights, as well as a few surprising discoveries, regarding the composition and cycling of organic matter in the Black Sea. (1) Uptake rates of organic compounds were from 2 to 4640 times faster in oxic surface waters than in anoxic waters. (2) Sharp maxima or minima in concentrations of organic compounds coincided with zones of enhanced microbial activities, especially in the vicinity of the oxic-suboxic and suboxic-anoxic interfaces. (3) The benthic boundary layer, 300-400 m thick, had a markedly different organic composition and substantially higher concentrations of organic acids, and to a lesser extent sugars and thiols, than the overlying water. (4) A dramatic change in the composition and concentration of dissolved free amino acids occurred in the water column during the cruise and appeared to be related to biological patchiness. (5) Organic thiols constituted a significant portion (e.g. 10-20%) of the total reduced sulfur near the top of the sulfidic zone, and may contribute to the origin of hydrogen sulfide in this zone. (6) Major unknown amine and carbonyl compounds were discovered in the anoxic zone, providing evidence that the Black Sea contains unique anaerobic bacteria with possibly new biochemical pathways.

  10. Dielectric barrier discharge ionization in characterization of organic compounds separated on thin-layer chromatography plates.

    Science.gov (United States)

    Cegłowski, Michał; Smoluch, Marek; Babij, Michał; Gotszalk, Teodor; Silberring, Jerzy; Schroeder, Grzegorz

    2014-01-01

    A new method for on-spot detection and characterization of organic compounds resolved on thin layer chromatography (TLC) plates has been proposed. This method combines TLC with dielectric barrier discharge ionization (DBDI), which produces stable low-temperature plasma. At first, the compounds were separated on TLC plates and then their mass spectra were directly obtained with no additional sample preparation. To obtain good quality spectra the center of a particular TLC spot was heated from the bottom to increase volatility of the compound. MS/MS analyses were also performed to additionally characterize all analytes. The detection limit of proposed method was estimated to be 100 ng/spot of compound.

  11. New organic-inorganic hybrid compounds constructed from polyoxometalates and transition metal mixed-organic-ligand complexes.

    Science.gov (United States)

    Hu, Yang-Yang; Zhang, Ting-Ting; Zhang, Xiao; Zhao, De-Chuan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing

    2016-02-14

    Five new organic-inorganic hybrid compounds based on different polyoxoanions [HxGeW12O40](n-) or [H3As2W18O62](3-) (x = 0, 2; n = 4, 2), namely [Cu3(2,2'-bpy)3(inic)(OH)(H2O)][GeW12O40]·1.5H2O (1), [Cu2(phen)2(μ2-Cl)2(inic)]2[H2GeW12O40]·2H2O (2), [Cu2(phen)2(μ2-Cl)Cl(nic)]2[H2GeW12O40] (3), [Cu2(2,2'-bpy)2(hnic)Cl]2[H2GeW12O40] (4), [Cu(phen)(inic)H2O][Cu2(phen)2(inic)2(H2O)][H3As2W18O62]·3H2O (5) (inic = isonicotinic acid, nic = nicotinic acid, hnic = 2-hydroxy-nicotinic acid, 2,2'-bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline), have been synthesized and characterized by IR, UV-Vis, XRD, cyclic voltammetric measurements and single crystal X-ray diffraction analysis. Single crystal X-ray analysis reveals that compound 1 is isomorphous and isostructural with a compound reported by us recently, the main difference between the two is the heteroatom of the polyoxoanions in the two compounds. Compound 2 is a supramolecular structure constructed from polyoxoanions and transition metal mixed-organic-ligand complexes. Compound 3 is a novel polyoxoanion bi-supported transition metal mixed-organic-ligand complex. Compound 4 is a 1-D chain structure constructed from polyoxoanions and transition metal mixed-organic-ligand complexes. The photodegradation properties of compounds 1-5 have been analyzed.

  12. Electrokinetics of Polar Liquids in Contact with Non-Polar Surfaces

    CERN Document Server

    Lin, Chih-Hsiu; Chaudhury, Manoj K

    2014-01-01

    Zeta potentials of several polar protic (water, ethylene glycol, formamide) as well as polar aprotic (dimethyl sulfoxide) liquids were measured in contact with three non-polar surfaces using closed-cell electro-osmosis. The test surfaces were chemisorbed monolayers of alkyl siloxanes, fluoroalkyl siloxanes and polydimethylsiloxanes (PDMS) grafted on glass slides. All these liquids exhibited substantial electrokinetics in contact with the non-polar surfaces with these observations: the electrokinetic effect on the fluorocarbon-coated surface is the strongest; and on a PDMS grafted surface, the effect is the weakest. Even though these hygroscopic liquids contain small amounts of water, the current models of charging based on the adsorption of hydroxide ions at the interface or the dissociation of preexisting functionalities (e.g., silanol groups) appear to be insufficient to account for the various facets of the experimental observations. The results illustrate how ubiquitous the phenomenon of electro-kinetics ...

  13. Broadband non-polarizing terahertz beam splitters with variable split ratio

    KAUST Repository

    Wei, Minggui

    2017-08-15

    Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

  14. Non-polar Solvent Microwave-Assisted Extraction of Volatile Constituents from Dried Zingiber Officinale Rosc.

    Institute of Scientific and Technical Information of China (English)

    YU Yong; WANG Zi-Ming; WANG Yu-Tang; LI Tie-Chun; CHENG Jian-Hua; LIU Zhong-Ying; ZHANG Han-Qi

    2007-01-01

    A new method, non-polar solvent microwave-assisted extraction (NPSMAE), was applied to the extraction of essential oil from Zingiber officinale Rosc. in closed-vessel system. By adding microwave absorption mediumcarbonyl iron powders (CIP) into extraction system, the essential oil was extracted by the non-polar solvent (ether)which can be heated by CIP. The constituents of essential oil obtained by NPSMAE were comparable with those obtained by hydrodistillation (HD) by GC-MS analysis, which indicates that NPSMAE is a feasible way to extract essential oil from dried plant materials. The NPSMAE took much less extraction time (5 min) than HD (180 min),and its extraction efficiency was much higher than that of conventional polar solvent microwave-assisted extraction (PSMAE) and mixed solvent microwave-assisted extraction (MSMAE). It can be a good alternative for the extraction of volatile constituents from dried plant samples.

  15. Identifying bioaccumulative halogenated organic compounds using a nontargeted analytical approach: seabirds as sentinels.

    Directory of Open Access Journals (Sweden)

    Christopher J Millow

    Full Text Available Persistent organic pollutants (POPs are typically monitored via targeted mass spectrometry, which potentially identifies only a fraction of the contaminants actually present in environmental samples. With new anthropogenic compounds continuously introduced to the environment, novel and proactive approaches that provide a comprehensive alternative to targeted methods are needed in order to more completely characterize the diversity of known and unknown compounds likely to cause adverse effects. Nontargeted mass spectrometry attempts to extensively screen for compounds, providing a feasible approach for identifying contaminants that warrant future monitoring. We employed a nontargeted analytical method using comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC×GC/TOF-MS to characterize halogenated organic compounds (HOCs in California Black skimmer (Rynchops niger eggs. Our study identified 111 HOCs; 84 of these compounds were regularly detected via targeted approaches, while 27 were classified as typically unmonitored or unknown. Typically unmonitored compounds of note in bird eggs included tris(4-chlorophenylmethane (TCPM, tris(4-chlorophenylmethanol (TCPMOH, triclosan, permethrin, heptachloro-1'-methyl-1,2'-bipyrrole (MBP, as well as four halogenated unknown compounds that could not be identified through database searching or the literature. The presence of these compounds in Black skimmer eggs suggests they are persistent, bioaccumulative, potentially biomagnifying, and maternally transferring. Our results highlight the utility and importance of employing nontargeted analytical tools to assess true contaminant burdens in organisms, as well as to demonstrate the value in using environmental sentinels to proactively identify novel contaminants.

  16. Removal of volatile organic compounds using amphiphilic cyclodextrin-coated polypropylene.

    Science.gov (United States)

    Lumholdt, Ludmilla; Fourmentin, Sophie; Nielsen, Thorbjørn T; Larsen, Kim L

    2014-01-01

    Polypropylene nonwovens were functionalised using a self-assembled, amphiphilic cyclodextrin coating and the potential for water purification by removal of pollutants was studied. As benzene is one of the problematic compounds in the Water Framework Directive, six volatile organic compounds (benzene and five benzene-based substances) were chosen as model compounds. The compounds were tested as a mixture in order to provide a more realistic situation since the wastewater will be a complex mixture containing multiple pollutants. The volatile organic compounds are known to form stable inclusion complexes with cyclodextrins. Six different amphiphilic cyclodextrin derivatives were synthesised in order to elucidate whether or not the uptake abilities of the coating depend on the structure of the derivative. Headspace gas chromatography was used for quantification of the uptake exploiting the volatile nature of benzene and its derivatives. The capacity was shown to increase beyond the expected stoichiometries of guest-host complexes with ratios of up to 16:1.

  17. Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions.

    Science.gov (United States)

    Ballal, Deepti; Venkataraman, Pradeep; Fouad, Wael A; Cox, Kenneth R; Chapman, Walter G

    2014-08-14

    Intermolecular potential models for water and alkanes describe pure component properties fairly well, but fail to reproduce properties of water-alkane mixtures. Understanding interactions between water and non-polar molecules like alkanes is important not only for the hydrocarbon industry but has implications to biological processes as well. Although non-polar solutes in water have been widely studied, much less work has focused on water in non-polar solvents. In this study we calculate the solubility of water in different alkanes (methane to dodecane) at ambient conditions where the water content in alkanes is very low so that the non-polar water-alkane interactions determine solubility. Only the alkane-rich phase is simulated since the fugacity of water in the water rich phase is calculated from an accurate equation of state. Using the SPC/E model for water and TraPPE model for alkanes along with Lorentz-Berthelot mixing rules for the cross parameters produces a water solubility that is an order of magnitude lower than the experimental value. It is found that an effective water Lennard-Jones energy ε(W)/k = 220 K is required to match the experimental water solubility in TraPPE alkanes. This number is much higher than used in most simulation water models (SPC/E-ε(W)/k = 78.2 K). It is surprising that the interaction energy obtained here is also higher than the water-alkane interaction energy predicted by studies on solubility of alkanes in water. The reason for this high water-alkane interaction energy is not completely understood. Some factors that might contribute to the large interaction energy, such as polarizability of alkanes, octupole moment of methane, and clustering of water at low concentrations in alkanes, are examined. It is found that, though important, these factors do not completely explain the anomalously strong attraction between alkanes and water observed experimentally.

  18. Contact angles and wettability of ionic liquids on polar and non-polar surfaces.

    Science.gov (United States)

    Pereira, Matheus M; Kurnia, Kiki A; Sousa, Filipa L; Silva, Nuno J O; Lopes-da-Silva, José A; Coutinho, João A P; Freire, Mara G

    2015-12-21

    Many applications involving ionic liquids (ILs) require the knowledge of their interfacial behaviour, such as wettability and adhesion. In this context, herein, two approaches were combined aiming at understanding the impact of the IL chemical structures on their wettability on both polar and non-polar surfaces, namely: (i) the experimental determination of the contact angles of a broad range of ILs (covering a wide number of anions of variable polarity, cations, and cation alkyl side chain lengths) on polar and non-polar solid substrates (glass, Al-plate, and poly-(tetrafluoroethylene) (PTFE)); and (ii) the correlation of the experimental contact angles with the cation-anion pair interaction energies generated by the Conductor-like Screening Model for Real Solvents (COSMO-RS). The combined results reveal that the hydrogen-bond basicity of ILs, and thus the IL anion, plays a major role through their wettability on both polar and non-polar surfaces. The increase of the IL hydrogen-bond accepting ability leads to an improved wettability of more polar surfaces (lower contact angles) while the opposite trend is observed on non-polar surfaces. The cation nature and alkyl side chain lengths have however a smaller impact on the wetting ability of ILs. Linear correlations were found between the experimental contact angles and the cation-anion hydrogen-bonding and cation ring energies, estimated using COSMO-RS, suggesting that these features primarily control the wetting ability of ILs. Furthermore, two-descriptor correlations are proposed here to predict the contact angles of a wide variety of ILs on glass, Al-plate, and PTFE surfaces. A new extended list is provided for the contact angles of ILs on three surfaces, which can be used as a priori information to choose appropriate ILs before a given application.

  19. Contact angles and wettability of ionic liquids on polar and non-polar surfaces†

    Science.gov (United States)

    Sousa, Filipa L.; Silva, Nuno J. O.; Lopes-da-Silva, José A.; Coutinho, João A. P.; Freire, Mara G.

    2016-01-01

    Many applications involving ionic liquids (ILs) require the knowledge of their interfacial behaviour, such as wettability and adhesion. In this context, herein, two approaches were combined aiming at understanding the impact of the IL chemical structures on their wettability on both polar and non-polar surfaces, namely: (i) the experimental determination of the contact angles of a broad range of ILs (covering a wide number of anions of variable polarity, cations, and cation alkyl side chain lengths) on polar and non-polar solid substrates (glass, Al-plate, and poly-(tetrafluoroethylene) (PTFE)); and (ii) the correlation of the experimental contact angles with the cation–anion pair interaction energies generated by the Conductor-like Screening Model for Real Solvents (COSMO-RS). The combined results reveal that the hydrogen-bond basicity of ILs, and thus the IL anion, plays a major role through their wettability on both polar and non-polar surfaces. The increase of the IL hydrogen-bond accepting ability leads to an improved wettability of more polar surfaces (lower contact angles) while the opposite trend is observed on non-polar surfaces. The cation nature and alkyl side chain lengths have however a smaller impact on the wetting ability of ILs. Linear correlations were found between the experimental contact angles and the cation–anion hydrogen-bonding and cation ring energies, estimated using COSMO-RS, suggesting that these features primarily control the wetting ability of ILs. Furthermore, two-descriptor correlations are proposed here to predict the contact angles of a wide variety of ILs on glass, Al-plate, and PTFE surfaces. A new extended list is provided for the contact angles of ILs on three surfaces, which can be used as a priori information to choose appropriate ILs before a given application. PMID:26554705

  20. Microcantilever sensors coated with a sensitive polyaniline layer for detecting volatile organic compounds.

    Science.gov (United States)

    Steffens, C; Leite, F L; Manzoli, A; Sandovall, R D; Fatibello, O; Herrmann, P S P

    2014-09-01

    This paper describes a silicon cantilever sensor coated with a conducting polymer layer. The mechanical response (deflection) of the bimaterial (the coated microcantilever) was investigated under the influence of several volatile compounds-methanol, ethanol, acetone, propanol, dichloroethane, toluene and benzene. The variations in the deflection of the coated and uncoated microcantilevers when exposed to volatile organic compounds were evaluated, and the results indicated that the highest sensitivity was obtained with the coated microcantilever and methanol. The uncoated microcantilever was not sensitive to the volatile organic compounds. An increase in the concentration of the volatile organic compound resulted in higher deflections of the microcantilever sensor. The sensor responses were reversible, sensible, rapid and proportional to the volatile concentration.

  1. Effect of plant diversity on the diversity of soil organic compounds

    Science.gov (United States)

    El Moujahid, Lamiae; Michalet, Serge; Bellvert, Florian; Weigelt, Alexandra; Poly, Franck

    2017-01-01

    The effect of plant diversity on aboveground organisms and processes was largely studied but there is still a lack of knowledge regarding the link between plant diversity and soil characteristics. Here, we analyzed the effect of plant identity and diversity on the diversity of extractible soil organic compounds (ESOC) using 87 experimental grassland plots with different levels of plant diversity and based on a pool of over 50 plant species. Two pools of low molecular weight organic compounds, LMW1 and LMW2, were characterized by GC-MS and HPLC-DAD, respectively. These pools include specific organic acids, fatty acids and phenolics, with more organic acids in LMW1 and more phenolics in LMW2. Plant effect on the diversity of LMW1 and LMW2 compounds was strong and weak, respectively. LMW1 richness observed for bare soil was lower than that observed for all planted soils; and the richness of these soil compounds increased twofold when dominant plant species richness increased from 1 to 6. Comparing the richness of LMW1 compounds observed for a range of plant mixtures and for plant monocultures of species present in these mixtures, we showed that plant species richness increases the richness of these ESOC mainly through complementarity effects among plant species associated with contrasted spectra of soil compounds. This could explain previously reported effects of plant diversity on the diversity of soil heterotrophic microorganisms. PMID:28166250

  2. Effect of plant diversity on the diversity of soil organic compounds.

    Science.gov (United States)

    El Moujahid, Lamiae; Le Roux, Xavier; Michalet, Serge; Bellvert, Florian; Weigelt, Alexandra; Poly, Franck

    2017-01-01

    The effect of plant diversity on aboveground organisms and processes was largely studied but there is still a lack of knowledge regarding the link between plant diversity and soil characteristics. Here, we analyzed the effect of plant identity and diversity on the diversity of extractible soil organic compounds (ESOC) using 87 experimental grassland plots with different levels of plant diversity and based on a pool of over 50 plant species. Two pools of low molecular weight organic compounds, LMW1 and LMW2, were characterized by GC-MS and HPLC-DAD, respectively. These pools include specific organic acids, fatty acids and phenolics, with more organic acids in LMW1 and more phenolics in LMW2. Plant effect on the diversity of LMW1 and LMW2 compounds was strong and weak, respectively. LMW1 richness observed for bare soil was lower than that observed for all planted soils; and the richness of these soil compounds increased twofold when dominant plant species richness increased from 1 to 6. Comparing the richness of LMW1 compounds observed for a range of plant mixtures and for plant monocultures of species present in these mixtures, we showed that plant species richness increases the richness of these ESOC mainly through complementarity effects among plant species associated with contrasted spectra of soil compounds. This could explain previously reported effects of plant diversity on the diversity of soil heterotrophic microorganisms.

  3. Electric Charge Accumulation in Polar and Non-Polar Polymers under Electron Beam Irradiation

    Science.gov (United States)

    Nagasawa, Kenichiro; Honjoh, Masato; Takada, Tatsuo; Miyake, Hiroaki; Tanaka, Yasuhiro

    The electric charge accumulation under an electron beam irradiation (40 keV and 60 keV) was measured by using the pressure wave propagation (PWP) method in the dielectric insulation materials, such as polar polymeric films (polycarbonate (PC), polyethylene-naphthalate (PEN), polyimide (PI), and polyethylene-terephthalate (PET)) and non-polar polymeric films (polystyrene (PS), polypropylene (PP), polyethylene (PE) and polytetrafluoroethylene (PTFE)). The PE and PTFE (non-polar polymers) showed the properties of large amount of electric charge accumulation over 50 C/m3 and long saturation time over 80 minutes. The PP and PS (non-polar polymer) showed the properties of middle amount of charge accumulation about 20 C/m3 and middle saturation time about 1 to 20 minutes. The PC, PEN, PI and PET (polar polymers) showed the properties of small amount of charge accumulation about 5 to 20 C/m3 and within short saturation time about 1.0 minutes. This paper summarizes the relationship between the properties of charge accumulation and chemical structural formula, and compares between the electro static potential distribution with negative charged polymer and its chemical structural formula.

  4. Hazardous organic compounds in biogas plant end products--soil burden and risk to food safety.

    Science.gov (United States)

    Suominen, K; Verta, M; Marttinen, S

    2014-09-01

    The end products (digestate, solid fraction of the digestate, liquid fraction of the digestate) of ten biogas production lines in Finland were analyzed for ten hazardous organic compounds or compound groups: polychlorinated dibenzo-p-dioxins and furans (PCDD/Fs), polychlorinated biphenyls (PCB(7)), polyaromatic hydrocarbons (PAH(16)), bis-(2-ethylhexyl) phthalate (DEHP), perfluorinated alkyl compounds (PFCs), linear alkylbenzene sulfonates (LASs), nonylphenols and nonylphenol ethoxylates (NP+NPEOs), polybrominated diphenyl ethers (PBDEs), hexabromocyclododecane (HBCD) and tetrabromobisphenol A (TBBPA). Biogas plant feedstocks were divided into six groups: municipal sewage sludge, municipal biowaste, fat, food industry by-products, animal manure and others (consisting of milling by-products (husk) and raw former foodstuffs of animal origin from the retail trade). There was no clear connection between the origin of the feedstocks of a plant and the concentrations of hazardous organic compounds in the digestate. For PCDD/Fs and for DEHP, the median soil burden of the compound after a single addition of digestate was similar to the annual atmospheric deposition of the compound or compound group in Finland or other Nordic countries. For PFCs, the median soil burden was somewhat lower than the atmospheric deposition in Finland or Sweden. For NP+NPEOs, the soil burden was somewhat higher than the atmospheric deposition in Denmark. The median soil burden of PBDEs was 400 to 1000 times higher than the PBDE air deposition in Finland or in Sweden. With PBDEs, PFCs and HBCD, the impact of the use of end products should be a focus of further research. Highly persistent compounds, such as PBDE- and PFC-compounds may accumulate in agricultural soil after repeated use of organic fertilizers containing these compounds. For other compounds included in this study, agricultural use of biogas plant end products is unlikely to cause risk to food safety in Finland.

  5. From energy-rich phosphate compounds to warfare agents: A review on the chemistry of organic phosphate compounds

    Directory of Open Access Journals (Sweden)

    Luciano Albino Giusti

    2008-12-01

    Full Text Available The chemistry of the phosphorus-oxygen bond is widely used in biological systems in many processes, such as energy transduction and the storage, transmission and expression of genetic information, which are essential to living beings in relation to a wide variety of functions. Compounds containing this bond have been designed for many purposes, ranging from agricultural defense systems, in order to increase food production, to nerve agents, for complaining use in warfare. In this review, features related to the chemistry of organic phosphate compounds are discussed, with particular emphasis on the role of phosphate compounds in biochemical events and in nerve agents. To this aim, the energy-rich phosphate compounds are focused, particularly the mode of their use as energy currency in cells. Historical and recent studies carried out by research groups have tried to elucidate the mechanism of action of enzymes responsible for energy transduction through the use of biochemical studies, enzyme models, and artificial enzymes. Finally, recent studies on the detoxification of nerve agents based on phosphorous esters are presented, and on the utilization of chromogenic and fluorogenic chemosensors for the detection of these phosphate species.

  6. 40 CFR 60.112a - Standard for volatile organic compounds (VOC).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 6 2010-07-01 2010-07-01 false Standard for volatile organic compounds (VOC). 60.112a Section 60.112a Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Commenced After May 18, 1978, and Prior to July 23, 1984 § 60.112a Standard for volatile organic...

  7. 75 FR 8246 - Approval and Promulgation of Air Quality Implementation Plans; Indiana; Volatile Organic Compound...

    Science.gov (United States)

    2010-02-24

    ... economically significant regulatory action based on health or safety risks subject to Executive Order 13045 (62... 1: Applicability, Section 2: Automobile and light duty truck coating regulations, Section 5: Paper... Organic Compound Rules, Rule 18: Synthetic Organic Chemical Manufacturing Industry Air Oxidation...

  8. Isostructural organic-inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate.

    Science.gov (United States)

    Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan

    2015-08-01

    In order to search for new anionic architectures and develop useful organic-inorganic hybrid materials in halometallate systems, two new crystalline organic-inorganic hybrid compounds have been prepared, i.e. catena-poly[triethyl(2-hydroxyethyl)azanium [[bromidocadmate(II)]-di-μ-bromido

  9. N-doping of organic semiconductors by bis-metallosandwich compounds

    Science.gov (United States)

    Barlow, Stephen; Qi, Yabing; Kahn, Antoine; Marder, Seth; Kim, Sang Bok; Mohapatra, Swagat K.; Guo, Song

    2016-01-05

    The various inventions disclosed, described, and/or claimed herein relate to the field of methods for n-doping organic semiconductors with certain bis-metallosandwich compounds, the doped compositions produced, and the uses of the doped compositions in organic electronic devices. Metals can be manganese, rhenium, iron, ruthenium, osmium, rhodium, or iridium. Stable and efficient doping can be achieved.

  10. Occurrence and abundance of carbohydrates and amino compounds in sequentially extracted labile soil organic matter fractions.

    Science.gov (United States)

    This study aimed to investigate the content of carbohydrates and amino compounds in three labile fraction of soil organic matter (SOM). Soil samples were collected from two agricultural fields in southern Italy and the light fraction (LF), the 500–53-µm particulate organic matter (POM) and the mobil...

  11. Catalytic Hydrogenation of Organic Compounds without H2 Supply: An Electrochemical System

    Science.gov (United States)

    Navarro, Daniela Maria do Amaral Ferraz; Navarro, Marcelo

    2004-01-01

    An experiment developed for an undergraduate organic chemistry laboratory course that can be used to introduce the catalytic hydrogenation reaction, catalysis electrochemical principles and gas chromatography is presented. The organic compounds hydrogenated by the electrocatalytic hydrogenation (ECH) process were styrene, benzaldehyde and…

  12. Extraction of interesting organic compounds from olive oil waste

    Directory of Open Access Journals (Sweden)

    Jiménez, Ana

    2006-03-01

    Full Text Available In the olive fruits there is a large amount of bioactive compounds and substances of high interest. Many of them are known by owing health beneficial properties that contribute to protective effect of the virgin olive oil. During olive oil processing, most of them remain in the olive oil wastes. Although, olive-mill wastewater (OMWW or “alpechin”, olive oil cake (OOC, and the new by-product, known as “alperujo” in Spain and generated by the two-phase extraction process, represent a major disposal and potentially severe pollution problem for the industry, they are also promising source of substances of high value. This review summarises the last knowledge on the utilisation of residual products, with more than 90 references including articles and patents, which are promising with regard to future application. All these investigations have been classified into two options, the recovery of valuable natural constituents and the bioconversion into useful products.Existe una gran cantidad de compuestos bioactivos y de alto interés presentes en la aceituna. Muchos de ellos se conocen por las cualidades beneficiosas que aportan al aceite de oliva virgen. La mayoría permanecen en mayor cantidad en el subproducto de la extracción del aceite. Aunque, el alpechín, el orujo y el nuevo subproducto de extracción del aceite en dos fases, alperujo, representan un problema potencial de vertido y contaminación, también son una prometedora fuente de compuestos de alto valor. Esta revisión resume lo último que se conoce sobre la utilización de estos residuos en el campo anteriormente mencionado, con más de 90 referencias que incluyen artículos y patentes. Todas estas investigaciones han sido clasificadas en cuanto a la recuperación de constituyentes naturalmente presentes o en cuanto a la bioconversión de los residuos en sustancias de interés.

  13. OrgTrace – No difference found in bioactive compounds of organic and conventional crops

    DEFF Research Database (Denmark)

    Knuthsen, Pia; Søltoft, Malene; Laursen, Kristian Holst;

    The objective of the present study was to compare the content of selected bioactive compounds in organically and conventionally grown crops, and to evaluate if the ability of the crops to synthesize selected secondary metabolites was systematically affected by growth systems across different growth...... contents of bioactive compounds than the conventionally grown. This indicates that giving preference to organic products because they contain more bioactive components is doubtfull. However, there are many other reasons for the consumer to choose organic food products, including: no pesticide residues...

  14. Photosynthesis of organic compounds in the atmosphere of Jupiter

    Science.gov (United States)

    Ferris, J. P.; Chen, C. T.

    1975-01-01

    An efficient conversion of CH4 to hydrocarbons and HCN takes place when NH3 is photolysed in the presence of CH4, H2, and He using a 184.9 nm light source. The extent of NH3 decomposition after a 1 hr exposure was determined spectrophotometrically; CH4, N2, and C2 and C3 hydrocarbons were detected and analyzed by mass spectrometry. Photolysis of one molar equivalent of NH3 results in the loss of 0.84 molar equivalent of CH4, which apparently reacts with hot hydrogen atoms produced by photolysis. The 8% of the NH3 which is not converted to N2 probably is converted to organic amines and nitrile derivatives. The results indicate that NH3 photolysis is a highly probable mechanism for the conversion of methane to more complex hydrocarbons in the upper atmosphere of Jupiter, and predict the occurrence of HCN, NH2NH2, and higher hydrocarbons in the Jovian atmosphere above the NH3 clouds.

  15. Chlorobenzene outputs from combustion of chlorinated organic and inorganic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Green, A.E.S.; Vitali, J.A.; Miller, T.L. [Univ. of Florida, Gainesville, FL (United States)

    1994-12-31

    The authors consider the gas phase formation of chlorinated benzenes and phenols as precursors of chlorinated dioxins and furans from the combustion of solid fuels containing organically bound chlorine. The model investigated is intended to apply to the combustion of medical waste, municipal waste and coals containing chlorine. Assuming a temperature-time profile drawn from incinerator experiments, the authors use kinetic modeling with known reaction rates to further investigate four models of chlorinated benzene formation. Since reaction rates for most chlorination processes are now known, the authors choose simple systems of reaction rates that yield outputs that can be made approximately compatible with results of the Pittsfield-Vicon incinerator and Clean Combustion Technology Laboratory experiments. The authors also consider recent measurements of HCI emissions from crematoria and the implication of this work with respect to the benefits of material substitution in medical and municipal waste incineration. These benefits should also accompany the dechlorination of coals. The authors note the disparity between the prevailing USA position and the emerging position of Germany on the issue of halogenated plastics. The authors also note that Europe and Asia are beginning to address solid fuel issues as a consolidated discipline. This pattern should be helpful in broadening the understanding of solid fuels combustion processes and in ferreting out erroneous data and conclusions. This is important in view of the recent concern about the role of low dioxin exposure levels on fetal development and the immune system.

  16. Chemical behavior of organic compounds in the interface ofwater/dual-cation organobentonite

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The sorption behavior of polar or ionizable organiccompounds, such as p-nitrophenol, phenol and aniline, in thewater/organobentonite systems is investigated. Both adsorption andpartition occur to the sorption of organic compounds to dual-cationorganobentonites. The separate contributions of adsorption andpartition to the total sorption of organic compounds to dual-cationorganobentonites are analyzed mathematically in the first time. The factors to the contributions are also discussed. The results indicated that the contribution of adsorption and partition is related to the composition and ratio of dual-cation surfactants exchanging onto the bentonite. The sorption of organic compounds to dual-cation organobentonite is dominated by adsorption at low concentrations and by partition at high concentrations, making the organobentonites powerful sorbents for organic contaminants over wide range of concentrations.

  17. THE BIOTRANSFORMATION, BIODEGRADATION, AND BIOREMEDIATION OF ORGANIC COMPOUNDS BY MICROALGAE(1).

    Science.gov (United States)

    Ghasemi, Younes; Rasoul-Amini, Sara; Fotooh-Abadi, Elham

    2011-10-01

    Rapid growth in the biotechnological industry and production has put tremendous pressure on the biological methods that may be used according to the guidelines of green chemistry. However, despite continuing dramatic increases in published research on organic biotransformation by microorganisms, more research exists with microalgae. Our efforts in transforming chemicals such as organic compounds for the production of functionalized products help to lessen the environmental effects of organic synthesis. These biotransformations convert organic contaminants to obtain carbon or energy for growth or as cosubstrates. This review aims to focus on the potential of microalgae in transformation, conversion, remediation, accumulation, degradation, and synthesis of various organic compounds. However, these technologies have the ability to provide the most efficient and environmentally safe approach for inexpensive biotransforming of a variety of organic contaminants, which are most industrial residues. In addition, the recent advances in microalgal bioactivity were discussed. © 2011 Phycological Society of America.

  18. Capture and release of acid-gasses with acid-gas binding organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Heldebrant, David J; Yonker, Clement R; Koech, Phillip K

    2015-03-17

    A system and method for acid-gas capture wherein organic acid-gas capture materials form hetero-atom analogs of alkyl-carbonate when contacted with an acid gas. These organic-acid gas capture materials include combinations of a weak acid and a base, or zwitterionic liquids. This invention allows for reversible acid-gas binding to these organic binding materials thus allowing for the capture and release of one or more acid gases. These acid-gas binding organic compounds can be regenerated to release the captured acid gasses and enable these organic acid-gas binding materials to be reused. This enables transport of the liquid capture compounds and the release of the acid gases from the organic liquid with significant energy savings compared to current aqueous systems.

  19. Organic compounds leached from fast pyrolysis mallee leaf and bark biochars.

    Science.gov (United States)

    Lievens, Caroline; Mourant, Daniel; Gunawan, Richard; Hu, Xun; Wang, Yi

    2015-11-01

    Characterization of organic compounds leached from biochars is essential in assessing the possible toxicity of the biochar to the soils' biota. In this study the nature of the leached organic compounds from Mallee biochars, produced from pyrolysis of Mallee leaf and bark in a fluidised-bed pyrolyser at 400 and 580°C was investigated. Light bio-oil compounds and aromatic organic compounds were investigated. The 'bio-oil like' light compounds from leaf and bark biochars 'surfaces were obtained after leaching the chars with a solvent, suitable to dissolve the respective bio-oils. GC/MS was implemented to investigate the leachates. Phenolics, which are potentially harmful toxins, were detected and their concentration shown to be dependent on the char's origin and the char production temperature. Further, to simulate biochars amendment to soils, the chars were leached with water. The water-leached aromatic compounds from leaf and bark biochars were characterized using UV-fluorescence spectroscopy. Those results suggested that biochars contain leachable compounds of which the nature and amount is dependent on the biomass feedstock, pyrolysis temperature and leaching time.

  20. Radiocarbon content of synthetic and natural semi-volatile halogenated organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Reddy, C.M.; Xu Li; Eglinton, T.I.; Boon, J.P.; Faulkner, D.J

    2002-12-01

    New developments in molecular-level {sup 14}C analysis techniques enable clues about natural versus commercial synthesis of trace organic contaminants. - Some halogenated organic compounds, such as polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins (PCDDs) and polybrominated diphenyl ethers (PBDEs), have been suggested to have natural sources but separating these compounds from their commercially synthesized counterparts is difficult. Molecular-level {sup 14}C analysis may be beneficial since most synthetic compounds are manufactured from petrochemicals ({sup 14}C-free) and natural compounds should have 'modern' or 'contemporary' {sup 14}C levels. As a baseline study, we measured, for the first time, the {sup 14}C abundance in commercial PCB and PBDE mixtures, a number of organochlorine pesticides, as well as one natural product 2-(3', 5'-dibromo-2'-methoxyphenoxy)-3,5-dibromoanisole. The latter compound was isolated from a marine sponge and is similar in structure to a PBDE. All of the synthetic compounds were {sup 14}C-free except for the pesticide toxaphene, which had a modern {sup 14}C abundance, as did the brominated natural compound. The result for toxaphene was not surprising since it was commercially synthesized by the chlorination of camphene derived from pine trees. These results suggest that measuring the {sup 14}C content of halogenated organic compounds may be quite useful in establishing whether organic compounds encountered in the environment have natural or synthetic origins (or both) provided that any synthetic counterparts derive from petrochemical feedstock.

  1. Precipitation of organic arsenic compounds and their degradation products during struvite formation

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Jin-Biao; Yuan, Shoujun [School of Civil Engineering, Hefei University of Technology, Hefei 230009 (China); Institute of Water Treatment and Wastes Reutilization, Hefei University of Technology, Hefei 230009 (China); Wang, Wei, E-mail: dwhit@126.com [School of Civil Engineering, Hefei University of Technology, Hefei 230009 (China); Institute of Water Treatment and Wastes Reutilization, Hefei University of Technology, Hefei 230009 (China); Hu, Zhen-Hu, E-mail: zhhu@hfut.edu.cn [School of Civil Engineering, Hefei University of Technology, Hefei 230009 (China); Institute of Water Treatment and Wastes Reutilization, Hefei University of Technology, Hefei 230009 (China); Yu, Han-Qing [Department of Chemistry, University of Science & Technology of China, Hefei 230026 (China)

    2016-11-05

    Highlights: • Organic and inorganic arsenic compounds precipitated during struvite formation. • Precipitation of organic arsenic compounds in struvite decreased with increasing pH. • Arsenate easily precipitate in struvite as compared to organic arsenic compounds. • Arsenic compounds in solution affected the shape of struvite crystallization products. - Abstract: Roxarsone (ROX) and arsanilic acid (ASA) have been extensively used as organoarsenic animal feed additives. Organic arsenic compounds and their degradation products, arsenate (As(V)) and arsenite (As(III)), exist in the effluent from anaerobic reactors treating animal manure contaminated by ROX or ASA with ammonium (NH{sub 4}{sup +}-N) and phosphate (PO{sub 4}{sup 3−}-P) together. Therefore, arsenic species in the effluent might be involved in the struvite formation process. In this study, the involvement of organic arsenic compounds and their degradation products As(V) and As(III) in the struvite crystallization was investigated. The results demonstrated that arsenic compounds did not substantially affect the PO{sub 4}{sup 3−}-P recovery, but confirmed the precipitation of arsenic during struvite formation. The precipitation of arsenic compounds in struvite was considerably affected by a solution pH from 9.0 to 11.0. With an increase in pH, the content of ASA and ROX in the precipitation decreased, but the contents of As(III) and As(V) increased. In addition, the arsenic content of As(V) in the struvite was higher than that of As(III), ASA and ROX. The results indicated that the struvite could be contaminated when the solution contains arsenic species, but that could be minimized by controlling the solution pH and maintaining anaerobic conditions during struvite formation.

  2. Responses of polar organic compounds to different ionic environments in aqueous media are interrelated.

    Science.gov (United States)

    Ferreira, L A; Chervenak, A; Placko, S; Kestranek, A; Madeira, P P; Zaslavsky, B Y

    2014-11-14

    Solubilities of 17 polar organic compounds in aqueous solutions of Na2SO4, NaCl, NaClO4, and NaSCN at the salt concentrations of up to 1.0-2.0 M were determined and the Setschenow constant, ksalt, values were estimated. It was found that NaClO4 may display both salting-in and salting-out effects depending on the particular compound structure. The Setschenow constant values for all the polar compounds examined in different salt solutions are found to be interrelated. Similar relationships were observed for partition coefficients of nonionic organic compounds in aqueous polyethylene glycol-sodium sulfate two-phase systems in the presence of different salt additives reported previously [Ferreira et al., J. Chromatogr. A, 2011, 1218, 5031], and for the effects of different salts on optical rotation of amino acids reported by Rossi et al. [J. Phys. Chem. B, 2007, 111, 10510]. In order to explain the observed relationships it is suggested that all the effects observed originate as responses of the compounds to the presence of a given ionic environment and its interaction with the compounds by forming direct or solvent-separated ionic pairs. The response is compound-specific and its strength is determined by the compound structure and the type (and concentration) of ions inducing the response.

  3. Atmospheric pressure chemical ionization studies of non-polar isomeric hydrocarbons using ion mobility spectrometry and mass spectrometry with different ionization techniques

    Science.gov (United States)

    Borsdorf, H.; Nazarov, E. G.; Eiceman, G. A.

    2002-01-01

    The ionization pathways were determined for sets of isomeric non-polar hydrocarbons (structural isomers, cis/trans isomers) using ion mobility spectrometry and mass spectrometry with different techniques of atmospheric pressure chemical ionization to assess the influence of structural features on ion formation. Depending on the structural features, different ions were observed using mass spectrometry. Unsaturated hydrocarbons formed mostly [M - 1]+ and [(M - 1)2H]+ ions while mainly [M - 3]+ and [(M - 3)H2O]+ ions were found for saturated cis/trans isomers using photoionization and 63Ni ionization. These ionization methods and corona discharge ionization were used for ion mobility measurements of these compounds. Different ions were detected for compounds with different structural features. 63Ni ionization and photoionization provide comparable ions for every set of isomers. The product ions formed can be clearly attributed to the structures identified. However, differences in relative abundance of product ions were found. Although corona discharge ionization permits the most sensitive detection of non-polar hydrocarbons, the spectra detected are complex and differ from those obtained with 63Ni ionization and photoionization. c. 2002 American Society for Mass Spectrometry.

  4. Environmental Aspects of Two Volatile Organic Compound Groundwater Treatment Designs at the Rocky Flats Site - 13135

    Energy Technology Data Exchange (ETDEWEB)

    Michalski, Casey C.; DiSalvo, Rick; Boylan, John [Stoller LMS Team, 11025 Dover Street, Suite 1000, Westminster, CO 80021 (United States)

    2013-07-01

    DOE's Rocky Flats Site in Colorado is a former nuclear weapons production facility that began operations in the early 1950's. Because of releases of hazardous substances to the environment, the federally owned property and adjacent offsite areas were placed on the CERCLA National Priorities List in 1989. The final remedy was selected in 2006. Engineered components of the remedy include four groundwater treatment systems that were installed before closure as CERCLA-accelerated actions. Two of the systems, the Mound Site Plume Treatment System and the East Trenches Plume Treatment System, remove low levels of volatile organic compounds using zero-valent iron media, thereby reducing the loading of volatile organic compounds in surface water resulting from the groundwater pathway. However, the zero-valent iron treatment does not reliably reduce all volatile organic compounds to consistently meet water quality goals. While adding additional zero-valent iron media capacity could improve volatile organic compound removal capability, installation of a solar powered air-stripper has proven an effective treatment optimization in further reducing volatile organic compound concentrations. A comparison of the air stripper to the alternative of adding additional zero-valent iron capacity to improve Mound Site Plume Treatment System and East Trenches Plume Treatment System treatment based on several key sustainable remediation aspects indicates the air stripper is also more 'environmentally friendly'. These key aspects include air pollutant emissions, water quality, waste management, transportation, and costs. (authors)

  5. Senior high school chemistry students performance in IUPAC nomenclature of organic compounds

    Directory of Open Access Journals (Sweden)

    Kenneth Adu-Gyamfi

    2013-11-01

    Full Text Available This paper reports on a study that investigated the performance of Chemistry students in IUPAC nomenclature of organic compounds from two school types. The study focused on senior high school (SHS students’ performance in IUPAC nomenclature of organic compounds. A cross-sectional survey provided the study with quantitative data. Stratified random sampling procedure was used to select 245 students from four out of 18 schools who offer elective science for 2010/2011 academic year in the Kumasi Metropolis of Ghana. An achievement test of 30 items was used for collection of the quantitative data. The results from the study showed that the SHS Chemistry students had showed low performance in IUPAC nomenclature of organic compounds. The independent-samples t-test analyses of the results show that there were no statistical significant differences between the scores of students from well- endowed and less-endowed schools on both naming and writing structural formulae of organic compounds using the IUPAC nomenclature system. It is therefore recommended that any assistant provided by the Ministry of Education and the Ghana Education Service to help students to improve on their performance in IUPAC nomenclature of organic compounds should be independent of the school - type.

  6. Negative effect of dissolved organic compounds on settling behavior of synthetic monominerals in red mud

    Institute of Scientific and Technical Information of China (English)

    王梦; 胡慧萍; 刘锦伟; 陈启元

    2016-01-01

    Hydration grossular and hematite monominerals were synthesized. The effects of dissolved organic compounds (including sodium formate, sodium acetate, sodium oxalate, sodium salicylate or disodium phthalate) on the settling performance of hydration grossular or hematite slurries were studied. The settling of the slurries was also investigated with the addition of sodium polyacrylate (PAAS) or hydroxamated polyacrylamide flocculant (HCPAM). The adsorption mechanism of organic compounds on monominerals surfaces was studied by FT-IR and XPS, respectively. A deterioration in settling is observed in order of disodium phthalate>sodium salicylate>sodium oxalate>sodium formate (or sodium acetate). Moreover, PAAS can efficiently eliminate the negative effects of organic compounds on the settling performance of the hydration grossular slurry. HCPAM can efficiently eliminate the negative effects of sodium formate, sodium acetate and sodium oxalate on the settling performance of the hematite slurry, but it only partially improves the settling performance of hematite slurry containing sodium salicylate or disodium phthalate. FT-IR and XPS results show that organic compounds are physically adsorbed on hydration grossular surface, and chemisorptions of organic compounds occur on hematite surface with a bidentate chelating complex.

  7. Neural Network Based on Quantum Chemistry for Predicting Melting Point of Organic Compounds

    Institute of Scientific and Technical Information of China (English)

    Juan A. Lazzús

    2009-01-01

    The melting points of organic compounds were estimated using a combined method that includes a backpropagation neural network and quantitative structure property relationship (QSPR) parameters in quantum chemistry. Eleven descriptors that reflect the intermolec-ular forces and molecular symmetry were used as input variables. QSPR parameters were calculated using molecular modeling and PM3 semi-empirical molecular orbital theories. A total of 260 compounds were used to train the network, which was developed using MatLab. Then, the melting points of 73 other compounds were predicted and results were compared to experimental data from the literature. The study shows that the chosen artificial neural network and the quantitative structure property relationships method present an excellent alternative for the estimation of the melting point of an organic compound, with average absolute deviation of 5%.

  8. Biodegradation kinetic of organic compounds of acrylic fiber wastewater in biofilm

    Institute of Scientific and Technical Information of China (English)

    ZHANG Ya-lei; ZHAO Jian-fu; GU Guo-wei

    2003-01-01

    A group function relation curve between flux (J) and bulk phase concentration of substrate ( S ) was set up. The biodegradation kinetic of organic compounds of acrylic fiber wastewater in biofilm is studied ( the treatment technology is coagulation/sedimentation-anoxic/aerobic biofilm process), and the results showed that the concentration of non-degradation pollutants in effluent is 77 mg/L. In aerobic zone,corresponds to the fact that there are some biorefractory compounds in the wastewater.

  9. Bioactive and volatile organic compounds in Southern Brazilian blackberry (Rubus Fruticosus) fruit cv. Tupy

    OpenAIRE

    Andressa Carolina Jacques; Fábio Clasen Chaves; Rui Carlos Zambiazi; Márcia Campos Brasil; Elina Bastos Caramão

    2014-01-01

    Blackberry (Rubus fruticosus, cultivar Tupy), an expanding fruit crop in southern Brazil, is greatly appreciated for its flavor and bioactive potential with limited characterization of its metabolite content. The purpose of this study was to characterize the bioactive and volatile organic compound (VOC) content of mature blackberry fruit of cultivar Tupy. Gallic acid, (-)-epicatechin, ferulic acid, and quercetin were the main phenolic compounds found in mature fruit. Among the VOCs identified...

  10. Mathematical modeling of atmospheric fine particle-associated primary organic compound concentrations

    Science.gov (United States)

    Rogge, Wolfgang F.; Hildemann, Lynn M.; Mazurek, Monica A.; Cass, Glen R.; Simoneit, Bernd R. T.

    1996-08-01

    An atmospheric transport model has been used to explore the relationship between source emissions and ambient air quality for individual particle phase organic compounds present in primary aerosol source emissions. An inventory of fine particulate organic compound emissions was assembled for the Los Angeles area in the year 1982. Sources characterized included noncatalyst- and catalyst-equipped autos, diesel trucks, paved road dust, tire wear, brake lining dust, meat cooking operations, industrial oil-fired boilers, roofing tar pots, natural gas combustion in residential homes, cigarette smoke, fireplaces burning oak and pine wood, and plant leaf abrasion products. These primary fine particle source emissions were supplied to a computer-based model that simulates atmospheric transport, dispersion, and dry deposition based on the time series of hourly wind observations and mixing depths. Monthly average fine particle organic compound concentrations that would prevail if the primary organic aerosol were transported without chemical reaction were computed for more than 100 organic compounds within an 80 km × 80 km modeling area centered over Los Angeles. The monthly average compound concentrations predicted by the transport model were compared to atmospheric measurements made at monitoring sites within the study area during 1982. The predicted seasonal variation and absolute values of the concentrations of the more stable compounds are found to be in reasonable agreement with the ambient observations. While model predictions for the higher molecular weight polycyclic aromatic hydrocarbons (PAH) are in agreement with ambient observations, lower molecular weight PAH show much higher predicted than measured atmospheric concentrations in the particle phase, indicating atmospheric decay by chemical reactions or evaporation from the particle phase. The atmospheric concentrations of dicarboxylic acids and aromatic polycarboxylic acids greatly exceed the contributions that

  11. Comparison of selenium distribution in mice organs after the supplementation with inorganic and organic selenium compound selenosemicarbazide.

    Science.gov (United States)

    Musik, Irena; Kozioł-Montewka, Maria; Toś-Luty, Sabina; Donica, Helena; Pasternak, Kazimierz; Wawrzycki, Sławomir

    2002-01-01

    Studies on selenium organ content and its function in living organisms just like studies on other elements provide interesting results although their interpretation is not always clear. The aim of our study was to determine the concentration and distribution of selenium in several organs and tissues in mice after supplementation with our newly synthesized organic compound of selenium selenosemicarbazide (4-o-tolyl-selenosemicarbazide of o-chlorobenzoic acid) as compared to the effects of the supplementation with inorganic compounds. SWISS mice were fed with both types of compounds at the dose of 10(-3) g Se per kg for the period of 10 days. The concentrations of selenium in brains of mice treated with selenocarbazide and sodium selenite were higher than in controls (38.04 micrograms g-1 and 32.00 micrograms g-1 vs. 26.18 micrograms g-1). There was a statistically significant increase in the selenium contents in lungs after supplementation with selenosemicarbazide and sodium selenite (11.81 micrograms g-1 and 6.79 micrograms g-1 vs. 1.75 micrograms g-1 in controls). We found a statistically insignificant increase in selenium contents in intercostal muscles after supplementation with inorganic selenium compounds and a statistically significant increase after the supplementation with selenosemicarbazide (10.13 micrograms g-1; 14.21 micrograms g-1 and 28.84 micrograms g-1, respectively). Our investigations lead to a conclusion that 4-o-tolyl-seleno-semicarbazide of o-chlorobenzoic acid, an organic selenium compound may be more easily absorbed than inorganic sodium IV selenite.

  12. Sorption of toxic organic compounds on wastewater solids: Mechanism and modeling

    Energy Technology Data Exchange (ETDEWEB)

    Wang, L.; Govind, R.; Dobbs, R.A.

    1992-01-01

    Sorption of toxic organic compounds on wastewater solids is an important process in conventional biological wastewater treatment systems. The extent of accumulation of toxic organic compounds by sorption onto wastewater solids not only affects the efficiency of the treatment system, but also impacts the management of wastewater solids. The study is an attempt to propose a mechanism for understanding the sorption phenomenon and to develop a model for sorption on wastewater solids based on the proposed mechanism. It was postulated that sorption was a combination of two processes: adsorption and partitioning. A sorption model was developed for both single component and multicomponent systems. The model was tested using single component experimental isotherm data of eight toxic organic compounds.

  13. Hammerhead ribozyme activity and oligonucleotide duplex stability in mixed solutions of water and organic compounds

    Directory of Open Access Journals (Sweden)

    Shu-ichi Nakano

    2014-01-01

    Full Text Available Nucleic acids are useful for biomedical targeting and sensing applications in which the molecular environment is different from that of a dilute aqueous solution. In this study, the influence of various types of mixed solutions of water and water-soluble organic compounds on RNA was investigated by measuring the catalytic activity of the hammerhead ribozyme and the thermodynamic stability of an oligonucleotide duplex. The compounds with a net neutral charge, such as poly(ethylene glycol, small primary alcohols, amide compounds, and aprotic solvent molecules, added at high concentrations changed the ribozyme-catalyzed RNA cleavage rate, with the magnitude of the effect dependent on the NaCl concentration. These compounds also changed the thermodynamic stability of RNA base pairs of an oligonucleotide duplex and its dependence on the NaCl concentration. Specific interactions with RNA molecules and reduced water activity could account for the inhibiting effects on the ribozyme catalysis and destabilizing effects on the duplex stability. The salt concentration dependence data correlated with the dielectric constant, but not with water activity, viscosity, and the size of organic compounds. This observation suggests the significance of the dielectric constant effects on the RNA reactions under molecular crowding conditions created by organic compounds.

  14. 40 CFR Appendix III to Part 268 - List of Halogenated Organic Compounds Regulated Under § 268.32

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 26 2010-07-01 2010-07-01 false List of Halogenated Organic Compounds... Part 268—List of Halogenated Organic Compounds Regulated Under § 268.32 In determining the... defined the HOCs that must be included in a calculation as any compounds having a carbon-halogen...

  15. Some organic compounds as inhibitors for the corrosion of aluminum alloy 6063 in deaerated carbonate solution

    Energy Technology Data Exchange (ETDEWEB)

    Bazzi, L.; Hamdani, M. [Lab. de Chimie Physique, Agadir (Morocco); Kertit, S. [Ecole Normale Superieure de Takaddoum, Rabat (Morocco). Lab. de Physico-Chimie des Materiaux

    1995-11-01

    Some organic compounds were tested as corrosion inhibitors for aluminum alloy 6063 (Al 6063, UNS A96063) in a deaerated carbonate solution using the electrochemical polarization method. The compounds studied were thiourea (TOR), diorthoaminodiphenyldisulfane (DOAPD), and benzotriazole (BTA). Results showed DOAPD was the best inhibitor. Its inhibition efficiency reaches a maximum value of 95.8% at 10{sup {minus}2} M. Polarization measurements indicated DOAPD acted as a cathodic and anodic (mixed) inhibitor without changing the mechanism of the water evolution reaction. DOAPD was adsorbed on the aluminum surface according to a Langmuir isotherm model. The other compounds tested had no effect on pitting corrosion of Al 6063.

  16. Mechanistic roles of soil humus and minerals in the sorption of nonionic organic compounds from aqueous and organic solutions

    Science.gov (United States)

    Chiou, C.T.; Shoup, T.D.; Porter, P.E.

    1985-01-01

    Mechanistic roles of soil humus and soil minerals and their contributions to soil sorption of nonionic organic compounds from aqueous and organic solutions are illustrated. Parathion and lindane are used as model solutes on two soils that differ greatly in their humic and mineral contents. In aqueous systems, observed sorptive characteristics suggest that solute partitioning into the soil-humic phase is the primary mechanism of soil uptake. By contrast, data obtained from organic solutions on dehydrated soil partitioning into humic phase and adsorption by soil minerals is influenced by the soil-moisture content and by the solvent medium from which the solute is sorbed. ?? 1985.

  17. Predicting reaction rate constants of ozone with organic compounds from radical structures

    Science.gov (United States)

    Yu, Xinliang; Yi, Bing; Wang, Xueye; Chen, Jianfang

    2012-05-01

    The reaction rate constants of ozone with organic compounds in the atmosphere were predicted by a quantitative structure-activity relationship (QSAR) model. Density functional theory (DFT) calculations, for the first time, were carried out on the radicals from organic compounds, at the UB3LYP level of theory with 6-31G(d) basis set. A set of quantum chemical descriptors calculated from the radicals, the energy of the highest occupied molecular orbital of beta spin states (EβHOMO), the molecular average polarizability (α), and the total energy (ET), were used to build the general QSAR model for aliphatic compounds, applying the genetic algorithm (GA) technique and support vector machine (SVM) regression. The root mean square errors (RMSE) are 0.680 for the training set (68 compounds), 0.777 for the validation set (36 compounds) and 0.709 for the test set (35 compounds). Investigated results indicate that the SVM model given here has good predictivity for aliphatic compounds.

  18. Understanding the toxicological potential of aerosol organic compounds using informatics based screening

    Science.gov (United States)

    Topping, David; Decesari, Stefano; Bassan, Arianna; Pavan, Manuela; Ciacci, Andrea

    2016-04-01

    Exposure to atmospheric particulate matter is responsible for both short-term and long-term adverse health effects. So far, all efforts spent in achieving a systematic epidemiological evidence of specific aerosol compounds determining the overall aerosol toxicity were unsuccessful. The results of the epidemiological studies apparently conflict with the laboratory toxicological analyses which have highlighted very different chemical and toxicological potentials for speciated aerosol compounds. Speciation remains a problem, especially for organic compounds: it is impossible to conduct screening on all possible molecular species. At the same time, research on toxic compounds risks to be biased towards the already known compounds, such as PAHs and dioxins. In this study we present results from an initial assessment of the use of in silico methods (i.e. (Q)SAR, read-across) to predict toxicity of atmospheric organic compounds including evaluation of applicability of a variety of popular tools (e.g. OECD QSAR Toolbox) for selected endpoints (e.g. genotoxicity). Compounds are categorised based on the need of new experimental data for the development of in silico approaches for toxicity prediction covering this specific chemical space, namely the atmospheric aerosols. Whilst only an initial investigation, we present recommendations for continuation of this work.

  19. Role of effluent organic matter in the photochemical degradation of compounds of wastewater origin.

    Science.gov (United States)

    Bodhipaksha, Laleen C; Sharpless, Charles M; Chin, Yu-Ping; MacKay, Allison A

    2017-03-01

    The photoreactivity of treated wastewater effluent organic matter differs from that of natural organic matter, and the indirect phototransformation rates of micropollutants originating in wastewater are expected to depend on the fractional contribution of wastewater to total stream flow. Photodegradation rates of four common compounds of wastewater origin (sulfamethoxazole, sulfadimethoxine, cimetidine and caffeine) were measured in river water, treated municipal wastewater effluent and mixtures of both to simulate various effluent-stream water mixing conditions that could occur in environmental systems. Compounds were chosen for their unique photodegradation pathways with the photochemically produced reactive intermediates, triplet-state excited organic matter ((3)OM*), singlet oxygen ((1)O2), and hydroxyl radicals (OH). For all compounds, higher rates of photodegradation were observed in effluent relative to upstream river water. Sulfamethoxazole degraded primarily via direct photolysis, with some contribution from OH and possibly from carbonate radicals and other unidentified reactive intermediates in effluent-containing samples. Sulfadimethoxine also degraded mainly by direct photolysis, and natural organic matter appeared to inhibit this process to a greater extent than predicted by light screening. In the presence of effluent organic matter, sulfadimethoxine showed additional reactions with OH and (1)O2. In all water samples, cimetidine degraded by reaction with (1)O2 (>95%) and caffeine by reaction with OH (>95%). In river water mixtures, photodegradation rate constants for all compounds increased with increasing fractions of effluent. A conservative mixing model was able to predict reaction rate constants in the case of hydroxyl radical reactions, but it overestimated rate constants in the case of (3)OM* and (1)O2 pathways. Finally, compound degradation rate constants normalized to the rate of light absorption by water correlated with E2/E3 ratios (sample

  20. Nucleophilic reactivity and electrocatalytic reduction of halogenated organic compounds by nickel o-phenylenedioxamidate complexes.

    Science.gov (United States)

    Das, Siva Prasad; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen

    2016-09-14

    A growing number of halogenated organic compounds have been identified as hazardous pollutants. Although numerous advanced oxidative processes have been developed to degrade organohalide compounds, reductive and nucleophilic molecular approaches to dehalogenate organic compounds have rarely been reported. In this manuscript, we employ nickel(ii)-ate complexes bearing the o-phenylenebis(N-methyloxamide) (Me2opba) tetraanionic ligand as nucleophilic reagents that can react with alkyl halides (methyl up to the bulky isobutyl) by O-alkylation to give their respective imidate products. Four new nickel(ii) complexes have been characterized by X-ray crystallography, and the salient structural parameters and FT-IR vibrational bands (∼1655 cm(-1)) concur with their assignment as the imidate tautomeric form. To the best of our knowledge, this is the first report on the nucleophilic reactivity of Ni(II)(Me2opba) with halogenated organic compounds. The parent nickel(ii) Me2opba complex exhibits reversible electrochemical oxidation and reduction behavior. As a proof of concept, Ni(II)(Me2opba) and its alkylated congeners were utilized for the electrocatalytic reduction of chloroform, as a representative, simple polyhalogenated organic molecule that could arise from the oxidative treatment of organic compounds by chlorination. Modest turnover numbers of up to 6 were recorded, with dichloromethane identified as one of the possible products. Future efforts are directed towards bulkier -ate complexes that possess metal-centered instead of ligand-centered nucleophilic activity to create more effective electrocatalysts for the reduction of halogenated organic compounds.

  1. Screening for Anti-Cancer Compounds in Marine Organisms in Oman

    Directory of Open Access Journals (Sweden)

    Sergey Dobretsov

    2016-05-01

    Full Text Available Objectives: Marine organisms are a rich source of bioactive molecules with potential applications in medicine, biotechnology and industry; however, few bioactive compounds have been isolated from organisms inhabiting the Arabian Gulf and the Gulf of Oman. This study aimed to isolate and screen the anti-cancer activity of compounds and extracts from 40 natural products of marine organisms collected from the Gulf of Oman. Methods: This study was carried out between January 2012 and December 2014 at the Sultan Qaboos University, Muscat, Oman. Fungi, bacteria, sponges, algae, soft corals, tunicates, bryozoans, mangrove tree samples and sea cucumbers were collected from seawater at Marina Bandar Al-Rowdha and Bandar Al-Khayran in Oman. Bacteria and fungi were isolated using a marine broth and organisms were extracted with methanol and ethyl acetate. Compounds were identified from spectroscopic data. The anti-cancer activity of the compounds and extracts was tested in a Michigan Cancer Foundation (MCF-7 cell line breast adenocarcinoma model. Results: Eight pure compounds and 32 extracts were investigated. Of these, 22.5% showed strong or medium anti-cancer activity, with malformin A, kuanoniamine D, hymenialdisine and gallic acid showing the greatest activity, as well as the soft coral Sarcophyton sp. extract. Treatment of MCF-7 cells at different concentrations of Sarcophyton sp. extracts indicated the induction of concentration-dependent cell death. Ultrastructural analysis highlighted the presence of nuclear fragmentation, membrane protrusion, blebbing and chromatic segregation at the nuclear membrane, which are typical characteristics of cell death by apoptosis induction. Conclusion: Some Omani marine organisms showed high anti-cancer potential. The efficacy, specificity and molecular mechanisms of anti-cancer compounds from Omani marine organisms on various cancer models should be investigated in future in vitro and in vivo studies.

  2. Organic compounds in produced waters from coalbed natural gas wells in the Powder River Basin, Wyoming, USA

    Science.gov (United States)

    Orem, W.H.; Tatu, C.A.; Lerch, H.E.; Rice, C.A.; Bartos, T.T.; Bates, A.L.; Tewalt, S.; Corum, M.D.

    2007-01-01

    The organic composition of produced water samples from coalbed natural gas (CBNG) wells in the Powder River Basin, WY, sampled in 2001 and 2002 are reported as part of a larger study of the potential health and environmental effects of organic compounds derived from coal. The quality of CBNG produced waters is a potential environmental concern and disposal problem for CBNG producers, and no previous studies of organic compounds in CBNG produced water have been published. Organic compounds identified in the produced water samples included: phenols, biphenyls, N-, O-, and S-containing heterocyclic compounds, polycyclic aromatic hydrocarbons (PAHs), aromatic amines, various non-aromatic compounds, and phthalates. Many of the identified organic compounds (phenols, heterocyclic compounds, PAHs) are probably coal-derived. PAHs represented the group of organic compounds most commonly observed. Concentrations of total PAHs ranged up to 23 ??g/L. Concentrations of individual compounds ranged from about 18 to compound concentrations was documented, as two wells with relatively high organic compound contents in produced water in 2001 had much lower concentrations in 2002. In many areas, including the PRB, coal strata provide aquifers for drinking water wells. Organic compounds observed in produced water are also likely present in drinking water supplied from wells in the coal. Some of the organic compounds identified in the produced water samples are potentially toxic, but at the levels measured in these samples are unlikely to have acute health effects. The human health effects of low-level, chronic exposure to coal-derived organic compounds in drinking water are currently unknown. Continuing studies will evaluate possible toxic effects from low level, chronic exposure to coal-derived organic compounds in drinking water supplies.

  3. Determination of organic compounds in landfill leachates treated by Fenton-Adsorption.

    Science.gov (United States)

    Ramírez-Sosa, Dorian R; Castillo-Borges, Elba R; Méndez-Novelo, Roger I; Sauri-Riancho, María R; Barceló-Quintal, Manuel; Marrufo-Gómez, José M

    2013-02-01

    The objective of this study was to identify the organic compounds removed from the leachate when treated with Fenton-Adsorption by gas chromatography coupled to mass spectrometry (GC-MS) in order to identify toxic compounds that could be harmful for the environment or human health. The physicochemical characterization of the raw leachate was carried out before and after the Fenton-Adsorption process. The effluent from each stage of this process was characterized: pH, Biological Oxygen Demand (BOD(5)), Chemical Oxygen Demand (COD), Total Organic Carbon (TOC), Total Carbon (TC), Inorganic Carbon (IC), Total Solids (TS), Total Suspended Solids (TSS) and Color. The organic compounds were determined by GC-MS. The removal of COD and color reached over 99% in compliance with the Mexican Standard NOM-001-SEMARNAT-1996, which establishes the maximum permissible limits for contaminants present in wastewater discharges to water and national goods. The chromatographic analysis from the Fenton-Adsorption effluent proved that this treatment removed more than 98% of the organic compounds present in the initial sample. The mono (2-ethylhexyl) ester 1,2-benzenedicarboxylic acid persisted, although it is not considered as toxic compound by the NOM-052-SEMARNAT-2005. Therefore, the treated effluent can be safely disposed of into the environment.

  4. Sorptive capacities of lipids determined by passive dosing of non-polar organic chemicals

    DEFF Research Database (Denmark)

    Jahnke, Annika; Kierkegaard, Amelie; Bolinius, Damien

    VMS), chlorobenzenes and polychlorinated biphenyls via a common headspace over an olive oil donor phase to transfer the same chemical activity into the samples; iii) sampling of EOM and olive oil controls at different time points; iv) purge-and-trap extraction of the model chemicals onto ENV+ SPE cartridges, elution...... and GC/MS analysis; v) characterization of the lipid composition in all samples via NMR. Our experiments demonstrate that the sorptive capacities of the EOM samples do not differ significantly from the olive oil controls if the EOM consists of neutral lipids only. However, the EOM samples show small...

  5. Sensory and Physiological Effects on Humans of Combined Exposures to Air Temperatures and Volatile Organic Compounds

    DEFF Research Database (Denmark)

    Mølhave, Lars; Liu, Zunyong; Jørgensen, Anne Hempel

    1993-01-01

    Ten healthy humans were exposed to combinations of volatile organic compounds (VOCs) and air temperature (0 mg/m3 and 10 mg/m3 of a mixture of 22 volatile organic compounds and 18, 22 and 26° C). Previously demonstrated effects of VOCs and thermal exposures were replicated. For the first time nasal...... cross-sectional areas and nasal volumes, as measured by acoustic rhinometry, were shown to decrease with decreasing temperature and increasing VOC exposure. Temperature and pollutant exposures affected air quality, the need for more ventilation, skin humidity on the forehead, sweating, acute sensory...

  6. Decomposition of Organic Compounds in Coke Plant Wastewater by Ultrasonic Irradiation and Its Combined Process

    Institute of Scientific and Technical Information of China (English)

    XU Jin-qiu; JIA Jin-ping; WANG Jing-wei

    2004-01-01

    The paper deals with the degradation of the organic compounds in the coke plant wastewater by the combined process of ultrasonic irradiation and activated sludge. The influence factors of the ultrasonic degradation effect such as air atmosphere, initial concentration, ultrasonic power density and the category and consumption of catalyst were investigated. A water quality model was used to explain the degradation of different kinds of organic compounds in the coke plant wastewater by ultrasonic irradiation. After the wastewater was treated by the combined process of ultrasonic irradiation and activated sludge, the COD degradation efficiency was 95. 74 %, which is 63. 49% higher than that by the process of activated sludge alone.

  7. Respirometric methods for determination of biodegradability and biodegradation kinetics for hazardous organic-pollutant compounds

    Energy Technology Data Exchange (ETDEWEB)

    Tabak, H.H.; Desai, S.; Govind, R.

    1992-01-01

    The purpose of the study was to obtain information on biological treatability of the benzene, phenol, phthalate and ketone organics and of the Superfund CERCLA organics bearing wastes in wastewater treatment systems which will support development of an EPA technical guidance document on the discharge of the above organics to POTWs. The study was to generate basic information on the fate of CERCLA leachate organics during on-site treatment and biodegradation and inhibition data for pollutants found in Superfund site wastewater that could be discharged to POTWs. Respirometric biodegradability, biokinetic and inhibition data were generated for the selected RCRA benzene, phenolic, phthalate and ketone compounds.

  8. Validation of thermodesorption method for analysis of semi-volatile organic compounds adsorbed on wafer surface.

    Science.gov (United States)

    Hayeck, Nathalie; Gligorovski, Sasho; Poulet, Irène; Wortham, Henri

    2014-05-01

    To prevent the degradation of the device characteristics it is important to detect the organic contaminants adsorbed on the wafers. In this respect, a reliable qualitative and quantitative analytical method for analysis of semi-volatile organic compounds which can adsorb on wafer surfaces is of paramount importance. Here, we present a new analytical method based on Wafer Outgassing System (WOS) coupled to Automated Thermal Desorber-Gas chromatography-Mass spectrometry (ATD-GC-MS) to identify and quantify volatile and semi-volatile organic compounds from 6", 8" and 12" wafers. WOS technique allows the desorption of organic compounds from one side of the wafers. This method was tested on three important airborne contaminants in cleanroom i.e. tris-(2-chloroethyl) phosphate (TCEP), tris-(2-chloroisopropyl) phosphate (TCPP) and diethyl phthalate (DEP). In addition, we validated this method for the analysis and quantification of DEP, TCEP and TCPP and we estimated the backside organic contamination which may contribute to the front side of the contaminated wafers. We are demonstrating that WOS/ATD-GC-MS is a suitable and highly efficient technique for desorption and quantitative analysis of organophosphorous compounds and phthalate ester which could be found on the wafer surface.

  9. Analysis of volatile organic compound from Elaeis guineensis inflorescences planted on different soil types in Malaysia

    Science.gov (United States)

    Muhamad Fahmi, M. H.; Ahmad Bukhary, A. K.; Norma, H.; Idris, A. B.

    2016-11-01

    The main attractant compound for Eleidobius kamerunicus to male spikelet Elaeis guineensis (oil palm) were determined by analyzing volatile organic compound extracted from E. guineenses inflorescences planted on different soil types namely peat soil, clay soil and sandy soil. Anthesizing male oil palm inflorescences were randomly choosen from palm aged between 4-5 years old age. Extraction of the volatiles from the oil palm inflorescences were performed by Accelerated Solvent Extraction method (ASE). The extracted volatile compound were determined by using gas chromatography-mass spectrometry. Out of ten identified compound, estragole was found to be a major compound in sandy soil (37.49%), clay soil (30.71%) and peat soil (27.79%). Other compound such as 9,12-octadecadieonic acid and n-hexadecanoic acid were found as major compound in peat soil (27.18%) and (7.45%); sandy soil (14.15 %) and (9.31%); and clay soil (30.23%) and (4.99%). This study shows that estragole was the predominant volatile compound detected in oil palm inflorescences with highly concentrated in palm planted in sandy soil type.

  10. Hazardous organic compounds in biogas plant end products-Soil burden and risk to food safety

    Energy Technology Data Exchange (ETDEWEB)

    Suominen, K., E-mail: kimmo.suominen@evira.fi [Finnish Food Safety Authority Evira, Risk Assessment Research Unit, Mustialankatu 3, 00790 Helsinki (Finland); Verta, M. [Finnish Environmental Institute (SYKE), Mechelininkatu 34a, P.O. Box 140, 00251 Helsinki (Finland); Marttinen, S. [MTT Agrifood Research Finland, 31600 Jokioinen (Finland)

    2014-09-01

    The end products (digestate, solid fraction of the digestate, liquid fraction of the digestate) of ten biogas production lines in Finland were analyzed for ten hazardous organic compounds or compound groups: polychlorinated dibenzo-p-dioxins and furans (PCDD/Fs), polychlorinated biphenyls (PCB(7)), polyaromatic hydrocarbons (PAH(16)), bis-(2-ethylhexyl) phthalate (DEHP), perfluorinated alkyl compounds (PFCs), linear alkylbenzene sulfonates (LASs), nonylphenols and nonylphenol ethoxylates (NP + NPEOs), polybrominated diphenyl ethers (PBDEs), hexabromocyclododecane (HBCD) and tetrabromobisphenol A (TBBPA). Biogas plant feedstocks were divided into six groups: municipal sewage sludge, municipal biowaste, fat, food industry by-products, animal manure and others (consisting of milling by-products (husk) and raw former foodstuffs of animal origin from the retail trade). There was no clear connection between the origin of the feedstocks of a plant and the concentrations of hazardous organic compounds in the digestate. For PCDD/Fs and for DEHP, the median soil burden of the compound after a single addition of digestate was similar to the annual atmospheric deposition of the compound or compound group in Finland or other Nordic countries. For PFCs, the median soil burden was somewhat lower than the atmospheric deposition in Finland or Sweden. For NP + NPEOs, the soil burden was somewhat higher than the atmospheric deposition in Denmark. The median soil burden of PBDEs was 400 to 1000 times higher than the PBDE air deposition in Finland or in Sweden. With PBDEs, PFCs and HBCD, the impact of the use of end products should be a focus of further research. Highly persistent compounds, such as PBDE- and PFC-compounds may accumulate in agricultural soil after repeated use of organic fertilizers containing these compounds. For other compounds included in this study, agricultural use of biogas plant end products is unlikely to cause risk to food safety in Finland. - Highlights:

  11. Study on Surface Properties for Non-polar Fluids with Density Functional Theory

    Institute of Scientific and Technical Information of China (English)

    吴畏; 陆九芳; 付东; 刘金晨; 李以圭

    2004-01-01

    The density functional theory, simplified by the local density approximation and mean-field approximation, is applied to study the surface properties of pure non-polar fluids. A reasonable long rang correction is adopted to avoid the truncation of the potential. The perturbation theory is applied to establish the equation for the phase equilibrium, in which the hard-core chain fluid is as the reference fluid and the Yukawa potential is used as the perturbation term. Three parameters, elk, d and ms, are regressed from the vapor-liquid equilibria, and the surface properties, including density profile, surface tension and local surface tension profile are predicted with these parameters.

  12. Partitioning of Organic Compounds into Supercritical CO2 in Depleted Oil Reservoirs - A Review

    Science.gov (United States)

    Burant, A.; Lowry, G. V.; Karamalidis, A.

    2012-12-01

    Depleted oil reservoirs, with enhanced oil recovery, will be one of the first adopters of carbon capture and storage (CCS), which is a promising mitigation strategy for global climate change. The large scale implementation of CCS mandates better understanding of the risks associated with CO2 injection, especially in regards to potential leakage of the stored CO2. Organics, in the residual oil and dissolved in the brine, can partition into supercritical CO2 (sc-CO2) and move with that phase if it leaks. This review presents an overview of the thermodynamic models and trends in experimental partitioning data needed to understand what compounds may be expected to move with the sc-CO2. There are two main types of thermodynamic models used for predicting the solubility of organic compounds in sc-CO2, equations of state and quantitative structure activity relationships. Both can predict the partitioning behavior of one compound in sc-CO2, however only equations of state can predict solubility in multicomponent systems. In addition, equations of state have been developed to determine the effect of electrolytes on the partitioning behavior of organics dissolved in brines. There are three main trends in the partitioning behavior of organics in sc-CO2: Pure phase solubility follows trends in vapor pressure; compounds with higher volatility have higher solubility in sc-CO2. Second, the partitioning from water to sc-CO2 follows trends in Henry's constants, which follow the relative solubility of a compound in both the sc-CO2 and aqueous phases. Thirdly, the solubility of a compound can be enhanced by the presence of another; highly volatile compounds enhance the solubility of compounds with lower volatility. Finally, the review presents the gaps in experimental research that can be used to improve the modeling of the partitioning behavior of organics in sc-CO2, specifically in regards to co-solvency effects and the effects of electrolytes on the partitioning of dissolved

  13. Forensic differentiation of biogenic organic compounds from petroleum hydrocarbons in biogenic and petrogenic compounds cross-contaminated soils and sediments.

    Science.gov (United States)

    Wang, Zhendi; Yang, C; Kelly-Hooper, F; Hollebone, B P; Peng, X; Brown, C E; Landriault, M; Sun, J; Yang, Z

    2009-02-13

    "Total petroleum hydrocarbons" (TPHs) or "petroleum hydrocarbons" (PHCs) are one of the most widespread soil pollutants in Canada, North America, and worldwide. Clean-up of PHC-contaminated soils and sediments costs the Canadian economy hundreds of million of dollars annually. Much of this activity is driven by the need to meet regulated levels of PHC in soil. These PHC values are legally required to be assessed using standard methods. The method most commonly used in Canada, specified by the Canadian Council of Ministers of the Environment (CCME), measures the total hydrocarbon concentrations in a soil by carbon range (Fraction 1: C(6)-C(10); Fraction 2: C(10)-C(16), Fraction 3: C(16)-C(34): and Fraction 4: C(34)+). Using the CCME method, all of the materials extractible by a mixture of 1:1 hexane:acetone are considered to be petroleum hydrocarbon contaminants. Many hydrocarbon compounds and other extractible materials in soil, however, may originate from non-petroleum sources. Biogenic organic compounds (BOCs) is a general term used to describe a mixture of organic compounds, including alkanes, sterols and sterones, fatty acids and fatty alcohols, and waxes and wax esters, biosynthesized by living organisms. BOCs are also produced during the early stages of diagenesis in recent aquatic sediments. BOC sources could include vascular plants, algae, bacteria and animals. Plants and algae produce BOCs as protective wax coating that are released back into the sediment at the end of their life cycle. BOCs are natural components of thriving plant communities. Many solvent-extraction methods for assessing soil hydrocarbons, however, such as the CCME method, do not differentiate PHCs from BOCs. The naturally occurring organics present in soils and wet sediments can be easily misidentified and quantified as regulated PHCs during analysis using such methods. In some cases, biogenic interferences can exceed regulatory levels, resulting in remediation of petroleum impacts that

  14. Energetic Limitations on Microbial Respiration of Organic Compounds using Aqueous Fe(III) Complexes

    Science.gov (United States)

    Naughton, H.; Fendorf, S. E.

    2015-12-01

    Soil organic matter constitutes up to 75% of the terrestrial carbon stock. Microorganisms mediate the breakdown of organic compounds and the return of carbon to the atmosphere, predominantly through respiration. Microbial respiration requires an electron acceptor and an electron donor such as small fatty acids, organic acids, alcohols, sugars, and other molecules that differ in oxidation state of carbon. Carbon redox state affects how much energy is required to oxidize a molecule through respiration. Therefore, different organic compounds should offer a spectrum of energies to respiring microorganisms. However, microbial respiration has traditionally focused on the availability and reduction potential of electron acceptors, ignoring the organic electron donor. We found through incubation experiments that the organic compound serving as electron donor determined how rapidly Shewanella putrefaciens CN32 respires organic substrate and the extent of reduction of the electron acceptor. We simulated a range of energetically favorable to unfavorable electron acceptors using organic chelators bound to Fe(III) with equilibrium stability constants ranging from log(K) of 11.5 to 25.0 for the 1:1 complex, where more stable complexes are less favorable for microbial respiration. Organic substrates varied in nominal oxidation state of carbon from +2 to -2. The most energetically favorable substrate, lactate, promoted up to 30x more rapid increase in percent Fe(II) compared to less favorable substrates such as formate. This increased respiration on lactate was more substantial with less stable Fe(III)-chelate complexes. Intriguingly, this pattern contradicts respiration rate predicted by nominal oxidation state of carbon. Our results suggest that organic substrates will be consumed so long as the energetic toll corresponding to the electron donor half reaction is counterbalanced by the energy available from the electron accepting half reaction. We propose using the chemical

  15. Prediction of RO/NF membrane rejections of PhACs and organic compounds: a statistical analysis

    NARCIS (Netherlands)

    Yangali-Quintanilla, V.; Kim, T.U.; Kennedy, M.; Amy, G.

    2008-01-01

    OA fund TU Delft Rejections of pharmaceutical compounds (Ibuprofen, Diclofenac, Clofibric acid, Naproxen, Primidone, Phenacetin) and organic compounds (Dichloroacetic acid, Trichloroacetic acid, Chloroform, Bromoform, Trichloroethene, Perchloroethene, Car-bontetrachloride, Carbontetrabromide) by NF

  16. A national reconnaissance of trace organic compounds (TOCs) in United States lotic ecosystems.

    Science.gov (United States)

    Bernot, Melody J; Becker, Jesse C; Doll, Jason; Lauer, Thomas E

    2016-12-01

    We collaborated with 26 groups from universities across the United States to sample 42 sites for 33 trace organic compounds (TOCs) in water and sediments of lotic ecosystems. Our goals were 1) to further develop a national database of TOC abundance in United States lotic ecosystems that can be a foundation for future research and management, and 2) to identify factors related to compound abundance. Trace organic compounds were found in 93% of water samples and 56% of sediment samples. Dissolved concentrations were 10-1000× higher relative to sediment concentrations. The ten most common compounds in water samples with detection frequency and maximum concentration were sucralose (87.5%, 12,000ng/L), caffeine (77.5%, 420ng/L), sulfamethoxazole (70%, 340ng/L), cotinine (65%, 130ng/L), venlafaxine (65%, 1800ng/L), carbamazepine (62.5%, 320ng/L), triclosan (55%, 6800ng/L), azithromycin (15%, 970ng/L), diphenylhydramine (40%, 350ng/L), and desvenlafaxine (35%, 4600ng/L). In sediment, the most common compounds were venlafaxine (32.5%, 19ng/g), diphenhydramine (25%, 41ng/g), azithromycin (15%, 11ng/g), fluoxetine (12.5%, 29ng/g) and sucralose (12.5%, 16ng/g). Refractory compounds such as sucralose may be good indicators of TOC contamination in lotic ecosystems, as there was a correlation between dissolved sucralose concentrations and with the total number of compounds detected in water. Discharge and human demographic (population size) characteristics were not good predictors of compound abundance in water samples. This study further confirms the ubiquity of TOCs in lotic ecosystems. Although concentrations measured rarely approached acute aquatic-life criteria, the chronic effects, bioaccumulative potential, or potential mixture effects of multiple compounds are relatively unknown.

  17. Toksisitas larvisida fraksi polar dan non polar herba Eclipta alba Hassk. terhadap larva nyamuk Aedes aegypti Linn.

    Directory of Open Access Journals (Sweden)

    Rosmanida Rosmanida

    1999-12-01

    Full Text Available Dengue Haemorrhagic Fever is a disease caused by virus and spread out by mosquitoes. Until now Aedes aegypti is thought as important vector in spreading procces of this disease. The general technique with synthetic chemical insecticide used to control density of mosquito population but this way causes the resistence of insect target, kill the untarget insect, and disturbs the environment quality. Due this problem, insecticide from plant is one of alternative such as Eclipta alba (Urang aring. The research aimed to distinguish toxicity larvacida degree between the polar fraction and non polar herba Eclipta alba to the growth of mosquito larva of Aedes aegypti. The experimental method applied with the complete random design used in this research. Each treatment to mosquito larvae of Aedes aegypti had replictions and the data was analyzed of Variance (ANOVA. The result showed that non polar fraction has the higher toxicity effect compared with the polar fraction. The concentration of LC non polar fraction 319.1826 ppm50, and concentration LC50 polar fraction is 1033.888 ppm and instar larva change of non polar fraction give higher elimination than polar fraction, non polar is 24% from population has change into IV instar and non polar 45%.

  18. Evaluation of various techniques for separation of non-polar modifier concentrates from petroleum waxy by-products

    Directory of Open Access Journals (Sweden)

    Fathi S. Soliman

    2014-09-01

    Full Text Available Two petroleum waxy by-products (light and middle slack wax crudes were evaluated for separation of non-polar modifiers by using different techniques. The results showed that, the light slack wax is selected as a suitable wax for separation of n-alkanes with even number of carbon atoms ranging from C20 to C26 for their high n-paraffin contents and can be used as non-polar structural modifiers. Different separation techniques; multistage fractional crystallization and liquid–solid chromatography; followed by the urea adduction technique have been used to separate non-polar modifier concentrates from the light slack wax crude. The light slack wax, its saturate components, the hard wax fractions isolated from light slack wax by the multistage fractional crystallization technique and their adducts were analyzed by GC to characterize and compare the produced components. The resulting data reveal that, the adducts of light slack wax and its saturate components; can be used as non-polar modifier concentrates of low carbon atoms (C20 + C22. From an economic point of view, the light slack wax adduct is selected as a non-polar modifier concentrate whereas, the separation step can be neglected to save energy. Meanwhile, the adduct of the hard wax isolated at 30 °C can be used as the preferable non-polar modifier concentrate of the high carbon number atoms (C24 + C26.

  19. Strain tuning of ferroelectric polarization in hybrid organic inorganic perovskite compounds.

    Science.gov (United States)

    Ghosh, Saurabh; Di Sante, Domenico; Stroppa, Alessandro

    2015-11-19

    Metal-organic frameworks (MOFs) are hybrid crystalline compounds comprised of an extended ordered network made up of organic molecules, organic linkers and metal cations. In particular, MOFs with the same topology as inorganic perovskites have been shown to possess interesting properties, e.g., coexistence of ferroelectric and magnetic ordering. Using first-principles density functional theory, we have investigated the effect of strain on the compounds C(NH2)3Cr(HCOO)3 and (CH3CH2NH3)Mn(HCOO)3. Here, we show that compressive strain can substantially increase the ferroelectric polarization by more than 300%, and we discuss the mechanism involved in the strain enhancement of polarization. Our study highlights the complex interplay between strain and organic cations' dipoles and put forward the possibility of tuning of ferroelectric polarization through appropriate thin film growing.

  20. Influence of pasture-based feeding systems on fatty acids, organic acids and volatile organic flavour compounds in yoghurt.

    Science.gov (United States)

    Akbaridoust, Ghazal; Plozza, Tim; Trenerry, V Craige; Wales, William J; Auldist, Martin J; Ajlouni, Said

    2015-08-01

    The influence of different pasture-based feeding systems on fatty acids, organic acids and volatile organic flavour compounds in yoghurt was studied. Pasture is the main source of nutrients for dairy cows in many parts of the world, including southeast Australia. Milk and milk products produced in these systems are known to contain a number of compounds with positive effects on human health. In the current study, 260 cows were fed supplementary grain and forage according to one of 3 different systems; Control (a traditional pasture based diet offered to the cows during milking and in paddock), PMR1 (a partial mixed ration which contained the same supplement as Control but was offered to the cows as a partial mixed ration on a feedpad), PMR 2 (a differently formulated partial mixed ration compared to Control and PMR1 which was offered to the cows on a feedpad). Most of the yoghurt fatty acids were influenced by feeding systems; however, those effects were minor on organic acids. The differences in feeding systems did not lead to the formation of different volatile organic flavour compounds in yoghurt. Yet, it did influence the relative abundance of these components.

  1. Modeling of iodine radiation chemistry in the presence of organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Taghipour, Fariborz; Evans, Greg J. E-mail: evansg@chem-eng.toronto.edu

    2002-06-01

    A kinetic-based model was developed that simulates the radiation chemistry of iodine in the presence of organic compounds. The model's mechanistic description of iodine chemistry and generic semi-mechanistic reactions for various classes of organics, provided a reasonable representation of experimental results. The majority of the model and experimental results of iodine volatilization rates were in agreement within an order of magnitude.

  2. Study of organic compounds-water interactions by partition in aqueous two-phase systems.

    Science.gov (United States)

    Madeira, Pedro P; Bessa, Ana; Teixeira, Miguel A; Álvares-Ribeiro, Luís; Aires-Barros, M Raquel; Rodrigues, Alírio E; Zaslavsky, Boris Y

    2013-12-27

    Partition coefficients of fourteen organic compounds were determined in 10 or 20 different polymer/polymer aqueous two-phase systems (ATPS) all at physiological pH (0.15M NaCl in 0.01M phosphate buffer, pH 7.4). Solute-specific coefficients characterizing different types of solute-water interactions for the compounds examined were determined by the multiple linear regression analysis. It is shown that (i) the partition behavior for the polar organic compounds is affected not only by dipole-dipole and hydrogen-bond interactions with aqueous environment but, notably, in most cases also by dipole-ion interactions; (ii) it is possible to predict partition behavior for compounds with pre-determined solute-specific coefficients in ATPS with characterized solvent features; and (iii) linear combinations of the solute-specific coefficients for the organic compounds might be useful in the development of quantitative structure-activity relationship (QSAR) analysis to describe their odor detection threshold.

  3. Carbonaceous meteorites as a source of sugar-related organic compounds for the early Earth.

    Science.gov (United States)

    Cooper, G; Kimmich, N; Belisle, W; Sarinana, J; Brabham, K; Garrel, L

    The much-studied Murchison meteorite is generally used as the standard reference for organic compounds in extraterrestrial material. Amino acids and other organic compounds important in contemporary biochemistry are thought to have been delivered to the early Earth by asteroids and comets, where they may have played a role in the origin of life. Polyhydroxylated compounds (polyols) such as sugars, sugar alcohols and sugar acids are vital to all known lifeforms-they are components of nucleic acids (RNA, DNA), cell membranes and also act as energy sources. But there has hitherto been no conclusive evidence for the existence of polyols in meteorites, leaving a gap in our understanding of the origins of biologically important organic compounds on Earth. Here we report that a variety of polyols are present in, and indigenous to, the Murchison and Murray meteorites in amounts comparable to amino acids. Analyses of water extracts indicate that extraterrestrial processes including photolysis and formaldehyde chemistry could account for the observed compounds. We conclude from this that polyols were present on the early Earth and therefore at least available for incorporation into the first forms of life.

  4. Carbonaceous meteorites as a source of sugar-related organic compounds for the early Earth

    Science.gov (United States)

    Cooper, G.; Kimmich, N.; Belisle, W.; Sarinana, J.; Brabham, K.; Garrel, L.

    2001-01-01

    The much-studied Murchison meteorite is generally used as the standard reference for organic compounds in extraterrestrial material. Amino acids and other organic compounds important in contemporary biochemistry are thought to have been delivered to the early Earth by asteroids and comets, where they may have played a role in the origin of life. Polyhydroxylated compounds (polyols) such as sugars, sugar alcohols and sugar acids are vital to all known lifeforms-they are components of nucleic acids (RNA, DNA), cell membranes and also act as energy sources. But there has hitherto been no conclusive evidence for the existence of polyols in meteorites, leaving a gap in our understanding of the origins of biologically important organic compounds on Earth. Here we report that a variety of polyols are present in, and indigenous to, the Murchison and Murray meteorites in amounts comparable to amino acids. Analyses of water extracts indicate that extraterrestrial processes including photolysis and formaldehyde chemistry could account for the observed compounds. We conclude from this that polyols were present on the early Earth and therefore at least available for incorporation into the first forms of life.

  5. Exploring sources of biogenic secondary organic aerosol compounds using chemical analysis and the FLEXPART model

    Directory of Open Access Journals (Sweden)

    J. Martinsson

    2017-09-01

    Full Text Available Molecular tracers in secondary organic aerosols (SOAs can provide information on origin of SOA, as well as regional scale processes involved in their formation. In this study 9 carboxylic acids, 11 organosulfates (OSs and 2 nitrooxy organosulfates (NOSs were determined in daily aerosol particle filter samples from Vavihill measurement station in southern Sweden during June and July 2012. Several of the observed compounds are photo-oxidation products from biogenic volatile organic compounds (BVOCs. Highest average mass concentrations were observed for carboxylic acids derived from fatty acids and monoterpenes (12. 3 ± 15. 6 and 13. 8 ± 11. 6 ng m−3, respectively. The FLEXPART model was used to link nine specific surface types to single measured compounds. It was found that the surface category sea and ocean was dominating the air mass exposure (56 % but contributed to low mass concentration of observed chemical compounds. A principal component (PC analysis identified four components, where the one with highest explanatory power (49 % displayed clear impact of coniferous forest on measured mass concentration of a majority of the compounds. The three remaining PCs were more difficult to interpret, although azelaic, suberic, and pimelic acid were closely related to each other but not to any clear surface category. Hence, future studies should aim to deduce the biogenic sources and surface category of these compounds. This study bridges micro-level chemical speciation to air mass surface exposure at the macro level.

  6. Exploring sources of biogenic secondary organic aerosol compounds using chemical analysis and the FLEXPART model

    Science.gov (United States)

    Martinsson, Johan; Monteil, Guillaume; Sporre, Moa K.; Kaldal Hansen, Anne Maria; Kristensson, Adam; Eriksson Stenström, Kristina; Swietlicki, Erik; Glasius, Marianne

    2017-09-01

    Molecular tracers in secondary organic aerosols (SOAs) can provide information on origin of SOA, as well as regional scale processes involved in their formation. In this study 9 carboxylic acids, 11 organosulfates (OSs) and 2 nitrooxy organosulfates (NOSs) were determined in daily aerosol particle filter samples from Vavihill measurement station in southern Sweden during June and July 2012. Several of the observed compounds are photo-oxidation products from biogenic volatile organic compounds (BVOCs). Highest average mass concentrations were observed for carboxylic acids derived from fatty acids and monoterpenes (12. 3 ± 15. 6 and 13. 8 ± 11. 6 ng m-3, respectively). The FLEXPART model was used to link nine specific surface types to single measured compounds. It was found that the surface category sea and ocean was dominating the air mass exposure (56 %) but contributed to low mass concentration of observed chemical compounds. A principal component (PC) analysis identified four components, where the one with highest explanatory power (49 %) displayed clear impact of coniferous forest on measured mass concentration of a majority of the compounds. The three remaining PCs were more difficult to interpret, although azelaic, suberic, and pimelic acid were closely related to each other but not to any clear surface category. Hence, future studies should aim to deduce the biogenic sources and surface category of these compounds. This study bridges micro-level chemical speciation to air mass surface exposure at the macro level.

  7. Protective effects of novel organic selenium compounds against oxidative stress in the nematode Caenorhabditis elegans

    Directory of Open Access Journals (Sweden)

    Sílvio Terra Stefanello

    2015-01-01

    Full Text Available Organic selenium compounds possess numerous biological properties, including antioxidant activity. Yet, the high toxicity of some of them, such as diphenyl diselenide (DPDS, is a limiting factor in their current usage. Accordingly, we tested four novel organic selenium compounds in the non-parasite nematode Caenorhabditis elegans and compared their efficacy to DPDS. The novel organic selenium compounds are β-selenoamines 1-phenyl-3-(p-tolylselanylpropan-2-amine (C1 and 1-(2-methoxyphenylselanyl-3-phenylpropan-2-amine (C2 and analogs of DPDS 1,2-bis(2-methoxyphenyldiselenide (C3 and 1,2-bisp-tolyldiselenide (C4. Synchronized worms at the L4 larval stage were exposed for one hour in M9 buffer to these compounds. Oxidative stress conditions were induced by juglone (200 μM and heat shock (35 °C. Moreover, we evaluated C. elegans behavior, GST-4::GFP (glutathione S-transferase expression and the activity of acetylcholinesterase (AChE. All tested compounds efficiently restored viability in juglone stressed worms. However, DPDS, C2, C3 and C4 significantly decreased the defecation cycle time. Juglone-induced GST-4::GFP expression was not attenuated in worms pretreated with the novel compounds, except with C2. Finally, AChE activity was reduced by DPDS, C2, C3 and C4. To our knowledge, this is study firstly showed the effects of C1, C2, C3 and C4 selenium-derived compounds in C. elegans. Low toxic effects were noted, except for reduction in the defecation cycle, which is likely associated with AChE inhibition. The juglone-induced stress (reduced viability was fully reversed by compounds to control animal levels. C2 was also efficient in reducing the juglone-induced GST-4::GFP expression, suggesting the latter may mediate the stress induced by this compound. Future studies could be profitably directed at addressing additional molecular mechanisms that mediate the protective effects of these novel organic selenium compounds.

  8. Sorption of toxic organic compounds on waste-water solids: Correlation with fundamental properties

    Energy Technology Data Exchange (ETDEWEB)

    Dobbs, R.A.; Wang, L.; Govind, R.

    1989-01-01

    Sorption of toxic organic compounds on primary, mixed-liquor, and digested solids from municipal waste-water treatment plants was correlated with octanol/water partition coefficients and with modified Randic indexes. The correlations developed are useful for assessing the role of sorption in the treatment of toxic or hazardous compounds in conventional biological waste-water treatment plants. Correlations developed provide a basis for predicting the concentration of toxic compounds associated with waste-water solids at a given equilibrium concentration in the aqueous phase. Organics in sludge can impact anaerobic digestion, land spreading, incineration and ocean dumping of sludges. Estimates of the concentration of toxics in sludge allows assessment of the impact of toxics on sludge-disposal options.

  9. Indoor/outdoor connections exemplified by processes that depend on an organic compound's saturation vapor pressure

    DEFF Research Database (Denmark)

    Weschler, Charles J.

    2003-01-01

    Outdoor and indoor environments are profitably viewed as parts of a whole connected through various physical and chemical interactions. This paper examines four phenomena that share a dependence on vapor pressure-the extent to which an organic compound in the gas phase sorbs on airborne particles......'s saturation vapor pressure correlates in a linear fashion with the logarithms of equilibrium coefficients characteristic of each of these four phenomena. Since, to a rough approximation, the log of an organic compound's vapor pressure scales with its molecular weight, molecular weight can be used to make...... first estimates of the above processes. For typical indoor conditions, only larger compounds with lower-saturation vapor pressures (e.g., tetracosane, pentacosane, or di-2-ethylhexyl phthalate) have airborne particle concentrations comparable to or larger than gas phase concentrations. Regardless...

  10. Production of extremely low volatile organic compounds from biogenic emissions: Measured yields and atmospheric implications

    Energy Technology Data Exchange (ETDEWEB)

    Jokinen, Tuija; Berndt, Torsten; Makkonen, Risto; Kerminen, Veli-Matti; Junninen, Heikki; Paasonen, Pauli; Stratmann, Frank; Herrmann, Hartmut; Guenther, Alex B.; Worsnop, Douglas R.; Kulmala, M.; Ehn, Mikael K.; Sipila, Mikko

    2015-06-09

    Extremely low volatility organic compounds (ELVOC) are suggested to promote aerosol particle formation and cloud condensation nuclei (CCN) production in the atmosphere. We show that the capability of biogenic VOC (BVOC) to produce ELVOC depends strongly on their chemical structure and relative oxidant levels. BVOC with an endocyclic double bond, representative emissions from, e.g., boreal forests, efficiently produce ELVOC from ozonolysis. Compounds with exocyclic double bonds or acyclic compounds including isoprene, emission representative of the tropics, produce minor quantities of ELVOC, and the role of OH radical oxidation is relatively larger. Implementing these findings into a global modeling framework shows that detailed assessment of ELVOC production pathways is crucial for understanding biogenic secondary organic aerosol and atmospheric CCN formation.

  11. The Enantiomeric Ratios of Meteoritic Organic Compounds: Their Possible Roles in the Origin of Life

    Science.gov (United States)

    Cooper, George

    2012-01-01

    This talk will give an overview of the enantiomer (mirror-image) ratios of organic compounds in meteorites and also describe the results of the present work in my lab. The primary focus will be on sugar derivatives (sugar acids) of carbonaceous meteorites. Our work begins to address questions associated with chirality, i.e., the origins of homochirality. On Earth, biological monomers (amino acids, sugars, etc.) are usually found with one of the enantiomers more abundant than the other. However, biological polymers (proteins, nucleic acids, etc.) are only composed of one enantiomer i.e., they are homochiral. There are hints in meteorites that some organic molecules may also exist in homochiral forms. The talk will address questions such as: did extraterrestrial sources aid in the beginning of this homochirality? Do the increasing size and apparent enantiomer excesses of some meteoritic compounds also extend to larger meteoritic compounds and polymers?

  12. Origin of organic compounds on the primitive earth and in meteorites

    Science.gov (United States)

    Miller, S. L.; Urey, H. C.; Oro, J.

    1976-01-01

    The paper examines the role and relative contributions of different forms of energy to the synthesis of amino acids and other organic compounds on the primitive earth and in the solar nebula. Attention is directed mainly to the activation steps and formation of reactive intermediate compounds. Electric discharges appear to be not only the most efficient energy for amino acid synthesis but also yield a mixture of amino acids that is qualitatively and quantitatively the same as that found in the Murchison carbonaceous chondrite. Ultraviolet light is likely to have played a major role in prebiotic synthesis. The reaction of CO plus H2 plus NH3 on the surface of a Fischer-Tropsch catalyst produces reactive intermediates which lead to amino acids and other organic compounds in a much less efficient way than electric discharges.

  13. Application of self-organizing maps in compounds pattern recognition and combinatorial library design.

    Science.gov (United States)

    Yan, Aixia

    2006-07-01

    In the computer-aided drug design, in order to find some new leads from a large library of compounds, the pattern recognition study of the diversity and similarity assessment of the chemical compounds is required; meanwhile in the combinatorial library design, more attention is given to design target focusing library along with diversity and drug-likeness criteria. This review presents the current state-of-art applications of Kohonen self-organizing maps (SOM) for studying the compounds pattern recognition, comparing the property of molecular surfaces, distinguishing drug-like and nondrug-like molecules, splitting a dataset into the proper training and test sets before constructing a QSAR (Quantitative Structural-Activity Relationship) model, and also for the combinatorial libraries comparison and the combinatorial library design. The Kohonen self-organizing map will continue to play an important role in drug discovery and library design.

  14. 40 CFR 60.502 - Standard for Volatile Organic Compound (VOC) emissions from bulk gasoline terminals.

    Science.gov (United States)

    2010-07-01

    ... (VOC) emissions from bulk gasoline terminals. 60.502 Section 60.502 Protection of Environment... SOURCES Standards of Performance for Bulk Gasoline Terminals § 60.502 Standard for Volatile Organic Compound (VOC) emissions from bulk gasoline terminals. On and after the date on which § 60.8(a) requires a...

  15. Electrospun Polyurethane Fibers for Absorption of Volatile Organic Compounds from Air

    NARCIS (Netherlands)

    Scholten, E.; Bromberg, L.; Rutledge, G.C.; Hatton, T.A.

    2011-01-01

    Electrospun polyurethane fibers for removal of volatile organic compounds (VOC) from air with rapid VOC absorption and desorption have been developed. Polyurethanes based on 4,4-methylenebis(phenylisocyanate) (MDI) and aliphatic isophorone diisocyanate as the hard segments and butanediol and

  16. SCREENING PROCESSED MILK FOR VOLATILE ORGANIC COMPOUNDS USING VACUUM DISTILLATION/GAS CHROMATOGRAPHY/MASS SPECTROMETRY

    Science.gov (United States)

    An adaptation of Office of Solid Waste and Emergency Response' Test Methods for Evaluating Solid Waste Physical/Chemical Methods (SW-846) method 8261 to analyze milk for an expanded list of volatile organic compounds is presented. The milk matriz exhibits a strong affinity for o...

  17. Modeling emissions of volatile organic compounds from silage storages and feed lanes

    Science.gov (United States)

    An initial volatile organic compound (VOC) emission model for silage sources, developed using experimental data from previous studies, was incorporated into the Integrated Farm System Model (IFSM), a whole-farm simulation model used to assess the performance, environmental impacts, and economics of ...

  18. Emission of volatile organic compounds after land application of cattle manure

    Science.gov (United States)

    Beef cattle manure can serve as a valuable source of nutrients for crop production. However, emissions of volatile organic compounds (VOCs) following land application may pose an odor nuisance to downwind populations. This study was conducted to evaluate the effects of application method, diet, so...

  19. Rapid Methods to Estimate Potential Exposure to Semivolatile Organic Compounds in the Indoor Environment

    DEFF Research Database (Denmark)

    Little, John C.; Weschler, Charles J.; Nazaroff, William W;

    2012-01-01

    to evaluate exposures that occur indoors. For semivolatile organic compounds (SVOCs), exposure is strongly influenced by the types of products in which these SVOCs occur. We propose methods for obtaining screening-level estimates for two primary SVOC source classes: additives in products used indoors...

  20. Research on Preparation Method of Static Head Space for Volatile Organic Compounds in Drinking Water

    Institute of Scientific and Technical Information of China (English)

    Yan GUO

    2015-01-01

    Objective] This research almed to study the pre-treatment conditions of head space so as to estabIish a HS-GC determination method, which is suitabIe for China’s conditions, for trace voIatiIe organic compounds in drinking water. [Method] The preparation method of head space was adopted for the voIatiIe organic com-pounds in drinking water. [Result] The 20 kinds of voIatiIe organic compounds in drinking water al couId be detected simuItaneousIy by using HS-GC-FID method, and they al couId be separated weI . The HS-GC-FID method couId analyze the detected substances qualitativeIy and quantitativeIy. In addition, this detection method was characterized by Iarger Iinear range of concentration, higher precision, higher detection Iimit and higher recovery rate. [Conclusion] Under certaln conditions, HS-GC can reduce the Ioss of voIatiIe organic compound in drinking water and improve the sensitivity of detection. Moreover, the detection resuIts meet the requirements by quality controI.

  1. Emission of volatile organic compounds as affected by rate of application of cattle manure

    Science.gov (United States)

    Beef cattle manure can serve as a valuable nutrient source for crop production. However, emissions of volatile organic compounds (VOCs) following land application may pose a potential off-site odor concern. This study was conducted to evaluate the effects of land application method, N- application...

  2. Can ornamental potted plants remove volatile organic compounds from indoor air? - a review

    DEFF Research Database (Denmark)

    Dela Cruz, Majbrit; Christensen, Jan H.; Thomsen, Jane Dyrhauge;

    2014-01-01

    Volatile organic compounds (VOCs) are found in indoor air, and many of these can affect human health (e.g. formaldehyde and benzene are carcinogenic). Plants affect the levels of VOCs in indoor environments, thus they represent a potential green solution for improving indoor air quality...

  3. An Analytical Approach for Relating Boiling Points of Monofunctional Organic Compounds to Intermolecular Forces

    Science.gov (United States)

    Struyf, Jef

    2011-01-01

    The boiling point of a monofunctional organic compound is expressed as the sum of two parts: a contribution to the boiling point due to the R group and a contribution due to the functional group. The boiling point in absolute temperature of the corresponding RH hydrocarbon is chosen for the contribution to the boiling point of the R group and is a…

  4. Adsorptive Separation and Recovery of Organic Compounds from Purified Terephthalic Acid Plant Effluent

    NARCIS (Netherlands)

    Khachane, P.K.; Heesink, A. Bert M.; Versteeg, G.F.; Pangarkar, V.G.

    2003-01-01

    Several organic impurities formed in the p-xylene oxidation process for manufacture of terephthalic acid are carried into the aqueous effluent from the crystallization section of PTA plant of crystallizers for purified terephthalic acid (PTA). These compounds impose a burden on the effluent treatmen

  5. MEASUREMENTS OF VOLATILE ORGANIC COMPOUNDS AND PARTICLES DURING APPLICATION OF LATEX PAINT WITH AN AIRLESS SPRAYER

    Science.gov (United States)

    The paper discusses experiments, conducted at EPA's Indoor Air Quality Research House, to measure airborne concentrations of volatile organic compounds (VOCs) and particles during and following the spray-application of latex wall paint. (NOTE: Paint may be applied indoors by a v...

  6. ISOTOPIC (14C) AND CHEMICAL COMPOSITION OF ATMOSPHERIC VOLATILE ORGANIC COMPOUND FRACTIONS - PRECURSORS TO OZONE FORMATION

    Science.gov (United States)

    Atmospheric volatile organic compounds (VOCs) are an important factor in the production of ozone near ground level [3]. Many hydrocarbons originate from auto exhaust. However, a number of VOCs, e.g., isoprene, are known to be natural in origin. To develop reliable models for un...

  7. New global fire emission estimates and evaluation of volatile organic compounds

    Science.gov (United States)

    C. Wiedinmyer; L. K. Emmons; S. K. Akagi; R. J. Yokelson; J. J. Orlando; J. A. Al-Saadi; A. J. Soja

    2010-01-01

    A daily, high-resolution, global fire emissions model has been built to estimate emissions from open burning for air quality modeling applications: The Fire INventory from NCAR (FINN version 1). The model framework uses daily fire detections from the MODIS instruments and updated emission factors, specifically for speciated non-methane organic compounds (NMOC). Global...

  8. Electrospun Polyurethane Fibers for Absorption of Volatile Organic Compounds from Air

    NARCIS (Netherlands)

    Scholten, E.; Bromberg, L.; Rutledge, G.C.; Hatton, T.A.

    2011-01-01

    Electrospun polyurethane fibers for removal of volatile organic compounds (VOC) from air with rapid VOC absorption and desorption have been developed. Polyurethanes based on 4,4-methylenebis(phenylisocyanate) (MDI) and aliphatic isophorone diisocyanate as the hard segments and butanediol and tetrame

  9. 77 FR 14324 - National Volatile Organic Compound Emission Standards for Aerosol Coatings-Addition of Dimethyl...

    Science.gov (United States)

    2012-03-09

    .... Email: a-and-r-docket@epa.gov . Fax: (202) 566-9744. Mail: U.S. Postal Service, send comments to: EPA... Factors AGENCY: Environmental Protection Agency (EPA). ACTION: Proposed rule. SUMMARY: The EPA is proposing to amend the National Volatile Organic Compound Emission Standards for Aerosol Coatings final rule...

  10. Intermolecula transfer and elimination of molecular hydrogen in thermal reactions of unsaturated organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Suria, Sabartanty [Iowa State Univ., Ames, IA (United States)

    1995-02-10

    Two reactions which are important to coal liquefaction include intermolecular transfer and the elimination of two hydrogen atoms. We have designed several model reactions to probe the viability of several hydrogen transfer and elimination pathways. This report described studies on these reactions using organic model compounds.

  11. BIOGENIC VOLATILE ORGANIC COMPOUND EMISSIONS FROM A LOWLAND TROPICAL WET FOREST IN COSTA RICA

    Science.gov (United States)

    Twenty common plant species were screened for emissions of biogenic volatile organic compounds (BVOCS) at a lowland tropical wet forest site in Costa Rica. Ten of the species. examined emitted substantial quantities of isoprene. These species accounted for 35-50% of the total bas...

  12. COST ANALYSIS OF ACTIVATED CARBON VERSUS PHOTOCATALYTIC OXIDATION FOR REMOVING ORGANIC COMPOUNDS FROM INDOOR AIR

    Science.gov (United States)

    A cost comparison has been conducted of 1 m3/s indoor air cleaners using granular activated carbon (GAC) vs. photocatalytic oxidation (PCO) for treating a steady-state inlet volatile organic compound (VOC) concentration of 0.3 mg/m3. The commercial GAC unit was costed assuming t...

  13. Removal of H2S and volatile organic sulfur compounds by silicone membrane extraction

    NARCIS (Netherlands)

    Manconi, I.; Lens, P.N.L.

    2009-01-01

    BACKGROUND: This study explores an alternative process for the abatement and/or desulfurization of H2S and volatile organic sulfur compounds (VOSC) containing waste streams, which employs a silicone-based membrane to simultaneously remove H2S and VOSC. An extractive membrane reactor allows the selec

  14. Cold Temperature and Biodiesel Fuel Effects on Speciated Emissions of Volatile Organic Compounds from Diesel Trucks

    Science.gov (United States)

    Speciated volatile organic compounds (VOCs) were measured in diesel exhaust from three medium heavy-duty trucks equipped with modern aftertreatment technologies. Emissions testing was conducted on a chassis dynamometer at two ambient temperatures (-6.7°C and 21.7°C) operating on ...

  15. Volatile organic compound emissions in relation to plant carbon fixation and the terrestrial carbon budget

    NARCIS (Netherlands)

    Kesselmeier, J.; Ciccioli, P.; Kuhn, U.; Stefani, P.; Biesenthal, T.; Rottenberger, S.; Wolf, A.; Vitullo, M.; Valentini, R.; Nobre, A.; Kabat, P.; Andreae, M.O.

    2002-01-01

    A substantial amount of carbon is emitted by terrestrial vegetation as biogenic volatile organic compounds (VOC), which contributes to the oxidative capacity of the atmosphere, to particle production and to the carbon cycle. With regard to the carbon budget of the terrestrial biosphere, a release of

  16. Removal of volatile organic compounds in vertical flow filters: predictions from Reactive Transport Modeling

    NARCIS (Netherlands)

    De Biase, C.; Maier, U.; Baeder-Bederski, O.; Bayer, P.; Oswald, S.E.; Thullner, M.

    2011-01-01

    Vertical flow filters are containers filled with porous medium that are recharged from top and drained at the bottom, and are operated at partly saturated conditions. They have recently been suggested as treatment technology for groundwater containing volatile organic compounds (VOCs). Numerical rea

  17. Removal of volatile organic compounds in vertical flow filters: predictions from Reactive Transport Modeling

    NARCIS (Netherlands)

    De Biase, C.; Maier, U.; Baeder-Bederski, O.; Bayer, P.; Oswald, S.E.; Thullner, M.

    2011-01-01

    Vertical flow filters are containers filled with porous medium that are recharged from top and drained at the bottom, and are operated at partly saturated conditions. They have recently been suggested as treatment technology for groundwater containing volatile organic compounds (VOCs). Numerical rea

  18. Adsorption of aromatic hydrocarbons and organic sulphur compounds by zeolite NaX

    Energy Technology Data Exchange (ETDEWEB)

    Fatkhi, A.; Eltekov, Yu.A.; Falkovich, M.I.; Gureev, A.A.; Solodovnikova, V.T.

    1981-01-01

    The article describes the equilibrium characteristics of the adsorption by zeolity NaX of several aromatic and organic sulphur compounds from isooctane solutions. The characteristics are necessary in studying the possible use of zeolite for the deep purification of hydrocarbons.

  19. Estimating the melting point, entropy of fusion, and enthalpy of fusion of organic compounds via SPARC

    Science.gov (United States)

    The entropies of fusion, enthalies of fusion, and melting points of organic compounds can be estimated through three models developed using the SPARC (SPARC Performs Automated Reasoning in Chemistry) platform. The entropy of fusion is modeled through a combination of interaction ...

  20. Organic sulphur compounds formed during early diagenesis in the Black Sea

    NARCIS (Netherlands)

    Sinninghe Damsté, J.S.; Wakeham, S.G.; Kohnen, M.E.L.; Leeuw, J.W. de

    1995-01-01

    Sediments from Units I and II of the Black Sea were analyzed to assess the early diagenetic formation of organic sulfur compounds (OSC). A series of isomeric C28-2,4-dialkylthiophenes was found at low concentrations in surface sediments. OSC with C25-highly branched isoprenoid (RBI) skeletons were n

  1. An Analytical Approach for Relating Boiling Points of Monofunctional Organic Compounds to Intermolecular Forces

    Science.gov (United States)

    Struyf, Jef

    2011-01-01

    The boiling point of a monofunctional organic compound is expressed as the sum of two parts: a contribution to the boiling point due to the R group and a contribution due to the functional group. The boiling point in absolute temperature of the corresponding RH hydrocarbon is chosen for the contribution to the boiling point of the R group and is a…

  2. Development of the colorimetric sensor array for detection of explosives and volatile organic compounds in air

    DEFF Research Database (Denmark)

    Kostesha, Natalie; Alstrøm, Tommy Sonne; Johnsen, C

    2010-01-01

    In the framework of the research project 'Xsense' at the Technical University of Denmark (DTU) we are developing a simple colorimetric sensor array which can be useful in detection of explosives like DNT and TNT, and identification of volatile organic compounds in the presence of water vapor in air...

  3. SUPERCRITICAL FLUID EXTRACTION OF SEMI-VOLATILE ORGANIC COMPOUNDS FROM PARTICLES

    Science.gov (United States)

    A nitrogen oxide flux chamber was modified to measure the flux of semi-volatile organic compounds (SVOCs). Part of the modification involved the development of methods to extract SVOCs from polyurethane foam (PUF), sand, and soil. Breakthroughs and extraction efficiencies were ...

  4. MI-QSAR models for prediction of corneal permeability of organic compounds

    Institute of Scientific and Technical Information of China (English)

    Cheng CHEN; Jie YANG

    2006-01-01

    Aim: To derive a theoretical model for the prediction of corneal permeability of miscellaneous organic compounds in drug design. Methods: A training set of 28structurally diverse compounds was used to build up the membrane-interaction quantitative structure-activity relationship (MI-QSAR) models. Intermolecular and intramolecular solute descriptors were computed using molecular mechanics,molecular dynamics simulations and quantum chemistry. The QSAR models were optimized using multidimensional linear regression fitting and a stepwise method.A test set of 8 compounds was evaluated using the models as part of a validation process. Results: Significant MI-QSAR models (R=0.976, S=0.1301, F=70.957) of corneal permeability of organic compounds were constructed. Corneal permeability was found to depend upon the sum of net atomic charges of hydrogen atoms attached to the heteroatoms (N, O), the sum of the absolute values of the net atomic charges of oxygen and nitrogen atoms, the principal moment of inertia (X),the Connolly accessible area and the conformational flexibility of the solute-membrane complex. Conclusion: The MI-QSAR models indicated that the corneal permeability of organic molecules was not only influenced by the organic solutes themselves, but also related to the properties of the solute-membrane complex,that is, the interactions of the molecule with the phospholipid-rich regions of cellular membranes.

  5. Predictive model of blood-brain barrier penetration of organic compounds

    Institute of Scientific and Technical Information of China (English)

    Xiao-lei MA; Cheng CHEN; Jie YANG

    2005-01-01

    Aim: To build up a theoretical model of organic compounds for the prediction of the activity of small molecules through the blood-brain barrier (BBB) in drug design. Methods: A training set of 37 structurally diverse compounds was used to construct quantitative structure-activity relationship (QSAR) models. Intermolecular and intramolecular solute descriptors were calculated using molecular mechanics, molecular dynamics simulations, quantum chemistry and so on. The QSAR models were optimized using multidimensional linear regression fitting and stepwise method. A test set of 8 compounds was evaluated using the models as part of a validation process. Results: Significant QSAR models (R=0.955, s=0.232) of the BBB penetration of organic compounds were constructed. BBB penetrationwas found to depend upon the polar surface area, the octanol/water partition coefficient, Balaban Index, the strength of a small molecule to combine with the membrane-water complex, and the changeability of the structure of a solute-membrane-water complex. Conclusion: The QSAR models indicate that the distribution of organic molecules through BBB is not only influenced by organic solutes themselves, but also relates to the properties of the solute-membrane-water complex, that is, interactions of the molecule with the phospholipid-rich regions of cellular membranes.

  6. FINAL REPORT: MEMBRANE-MEDIATED EXTRACTION AND BIODEGRADATION OF VOLATILE ORGANIC COMPOUNDS FROM AIR

    Science.gov (United States)

    The report describes feasibility tests of a two-step strategy for air pollution control applicable to exhaust air contaminated with volatile organic compounds (VOCs) from painting aircraft. In the first step, the VOC-contaminated air passes over coated, polypropylene, hollow-fibe...

  7. Detection of diseased plants by analysis of volatile organic compound emission

    NARCIS (Netherlands)

    Jansen, R.M.C.; Wildt, J.; Kappers, I.F.; Bouwmeester, H.J.; Hofstee, J.W.; Henten, van E.

    2011-01-01

    This review focuses on the detection of diseased plants by analysis of volatile organic compound (VOC) emissions. It includes an overview of studies that report on the impact of infectious and noninfectious diseases on these emissions and discusses the specificity of disease-induced emissions. The

  8. A POLYMER-CERAMIC COMPOSITE MEMBRANE FOR RECOVERING VOLATILE ORGANIC COMPOUNDS FROM WASTEWATERS BY PERVAPORATION

    Science.gov (United States)

    A composite membrane was constructed on a porous ceramic support from a block copolymer of styrene and butadiene (SBS). It was tested in a laboratory pervaporation apparatus for recovering volatile organic compounds (VOCs) such a 1,1,1-trichloroethane (TCA) and trichloroethylene ...

  9. Adsorptive Separation and Recovery of Organic Compounds from Purified Terephthalic Acid Plant Effluent

    NARCIS (Netherlands)

    Khachane, P.K.; Heesink, A. Bert M.; Versteeg, G.F.; Pangarkar, V.G.

    2003-01-01

    Several organic impurities formed in the p-xylene oxidation process for manufacture of terephthalic acid are carried into the aqueous effluent from the crystallization section of PTA plant of crystallizers for purified terephthalic acid (PTA). These compounds impose a burden on the effluent treatmen

  10. OPTIMIZATION OF MULTICOMPONENT PERVAPORATION FOR REMOVAL OF VOLATILE ORGANIC COMPOUNDS FROM WATER

    Science.gov (United States)

    Optimal operation of a hollow fiber membrane module for pervaporative removal of multicomponent volatile organic compounds (VOCs) from wastewater was studied. A shell-and-tube heat-exchange type of hollow fiber module was considered for treatment of a wastewater containing toluen...

  11. Removal of volatile organic compounds in vertical flow filters: predictions from Reactive Transport Modeling

    NARCIS (Netherlands)

    De Biase, C.; Maier, U.; Baeder-Bederski, O.; Bayer, P.; Oswald, S.E.; Thullner, M.

    2011-01-01

    Vertical flow filters are containers filled with porous medium that are recharged from top and drained at the bottom, and are operated at partly saturated conditions. They have recently been suggested as treatment technology for groundwater containing volatile organic compounds (VOCs). Numerical

  12. Modelling uptake into roots and subsequent translocation of neutral and ionisable organic compounds

    DEFF Research Database (Denmark)

    Trapp, Stefan

    2000-01-01

    A study on uptake of neutral and dissociating organic compounds from soil solution into roots, and their subsequent translocation, was undertaken using model simulations. The model approach combines the processes of lipophilic sorption, electrochemical interactions, ion trap, advection in xylem a...

  13. Influence of nitrogen status on the bioconcentration of hydrophobic organic compounds to Selenastrum capricornutum

    DEFF Research Database (Denmark)

    Halling-Sørensen, B.; Nyholm, Niels; Kusk, Kresten Ole

    2000-01-01

    Changes in algal nitrogen status that increase algal lipid content also a€ect the bioconcentration of hydrophobic organic compounds (HOCs). Bioconcentration factors (BCFs) for several HOCs increased up to nine times as the total algal lipid content of the green algae Selenastrum carpricornutum in...

  14. Detection of diseased plants by analysis of volatile organic compound emission

    NARCIS (Netherlands)

    Jansen, R.M.C.; Wildt, J.; Kappers, I.F.; Bouwmeester, H.J.; Hofstee, J.W.; Henten, van E.

    2011-01-01

    This review focuses on the detection of diseased plants by analysis of volatile organic compound (VOC) emissions. It includes an overview of studies that report on the impact of infectious and noninfectious diseases on these emissions and discusses the specificity of disease-induced emissions. The r

  15. Analysis of selected volatile organic compounds at background level in South Africa.

    Science.gov (United States)

    Ntsasa, Napo; Tshilongo, James; Lekoto, Goitsemang

    2017-04-01

    Volatile organic compounds (VOC) are measured globally at urban air pollution monitoring and background level at specific locations such as the Cape Point station. The urban pollution monitoring is legislated at government level; however, the background levels are scientific outputs of the World Meteorological Organisation Global Atmospheric Watch program (WMO/GAW). The Cape Point is a key station in the Southern Hemisphere which monitors greenhouse gases and halocarbons, with reported for over the past decade. The Cape Point station does not have the measurement capability VOC's currently. A joint research between the Cape Point station and the National Metrology Institute of South Africa (NMISA) objective is to perform qualitative and quantitative analysis of volatile organic compounds listed in the GAW program. NMISA is responsible for development, maintain and disseminate primary reference gas mixtures which are directly traceable to the International System of Units (SI) The results of some volatile organic compounds which where sampled in high pressure gas cylinders will be presented. The analysis of samples was performed on the gas chromatography with flame ionisation detector and mass selective detector (GC-FID/MSD) with a dedicate cryogenic pre-concentrator system. Keywords: volatile organic compounds, gas chromatography, pre-concentrator

  16. INHIBITORY EFFECTS OF VOLATILE ORGANIC COMPOUNDS ON NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS.

    Science.gov (United States)

    INHIBITORY EFFECTS OF VOLATILE ORGANIC COMPOUNDS ON NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS. A.S. Bale*; P.J. Bushnell; C.A. Meacham; T.J. Shafer Neurotoxicology Division, NHEERL, ORD, US Environmental Protection Agency, Research Triangle Park, NC, USA Toluene (TOL...

  17. Comparison and chemometric analysis of the phenolic compounds and organic acids composition of chinese wines.

    Science.gov (United States)

    Tang, Ke; Ma, Lei; Han, Ye-Hui; Nie, Yao; Li, Ji-Ming; Xu, Yan

    2015-01-01

    Characteristics of 106 wines from 5 major grape varieties and 3 typical geographic regions in China were investigated by means of profiling of organic acids and phenolic compounds analysis. An ultra-performance liquid chromatography method was developed and thus, large number of samples could be determined in a quick and reliable way. The results showed that different origins and varieties were characteristic of various profiles of organic acid and phenolic compounds. In order to investigate possible correlation between organic acids and phenolic compounds content and grape variety and/or geographical origin, analysis of variance and linear discriminant analysis (LDA) were conducted. A satisfactory LDA result for red wines according to geographic origin was obtained, in which the correct classification was 100% and the leave-one-out validation accuracy was 90%. The corresponding results of white wines were 91% and 86%, respectively. When LDA was processed, according to grape varieties, the proportionality of successfully classified wines was 96%, while the leave-one-out validation accuracy was 94%. The organic acids and phenolic compounds profiles were useful in the classification of Chinese wines according to grape variety and geographic origin.

  18. Volatile organic compound emmission rates from mixed deciduous and coniferous foest in Northern Wisconsin, USA

    Science.gov (United States)

    J. G. Isebrands; A. B. Guenther; P. Harley; D. Helmig; L. Klinger; L. Vierling; P. Zimmerman; C. Geron

    1999-01-01

    Biogenic emissions of volatile organic compounds {VOC) from forests play an important role in regulating the atmospheric trace gas composition including global tropospheric ozone concentrations. However, more information is needed on VOC emission rates from different forest regions of the world to understand regional and global impacts and to implement possible...

  19. A method to estimate the enthalpy of formation of organic compounds with chemical accuracy

    DEFF Research Database (Denmark)

    Hukkerikar, Amol; Meier, Robert J.; Sin, Gürkan

    2013-01-01

    . The model which is group-contribution (GC) based, estimates gas phase standard enthalpy of formations (ΔfH°gas) of organic compounds. To achieve the chemical accuracy, a systematic property-data-model analysis, which allows efficient use of knowledge of the experimental data of ΔfH°gas and the molecular...

  20. Passive Sampling in Regulatory Chemical Monitoring of Nonpolar Organic Compounds in the Aquatic Environment

    DEFF Research Database (Denmark)

    Booij, Kees; Robinson, Craig D; Burgess, Robert M;

    2016-01-01

    We reviewed compliance monitoring requirements in the European Union, the United States, and the Oslo-Paris Convention for the protection of the marine environment of the North-East Atlantic, and evaluated if these are met by passive sampling methods for nonpolar compounds. The strengths and shor...... is the best available technology for chemical monitoring of nonpolar organic compounds. Key issues to be addressed by scientists and environmental managers are outlined.......We reviewed compliance monitoring requirements in the European Union, the United States, and the Oslo-Paris Convention for the protection of the marine environment of the North-East Atlantic, and evaluated if these are met by passive sampling methods for nonpolar compounds. The strengths...... and shortcomings of passive sampling are assessed for water, sediments, and biota. Passive water sampling is a suitable technique for measuring concentrations of freely dissolved compounds. This method yields results that are incompatible with the EU's quality standard definition in terms of total concentrations...

  1. Fluorescence quantum yields of natural organic matter and organic compounds: Implications for the fluorescence-based interpretation of organic matter composition

    DEFF Research Database (Denmark)

    Wünsch, Urban; Murphy, Kathleen R.; Stedmon, Colin

    2015-01-01

    Absorbance and fluorescence spectroscopy are economical tools for tracing the supply, turnover and fate of dissolved organic matter (DOM). The colored and fluorescent fractions of DOM (CDOM and FDOM, respectively) are linked by the apparent fluorescence quantum yield (AQY) of DOM, which reflects ...... to confirm matches was limited due to multiple compounds exhibiting very similar spectra. This reiterates the fact that spectral similarity alone is insufficient evidence of the presence of particular compounds, and additional evidence is required...

  2. Non-Polar Natural Products from Bromelia laciniosa, Neoglaziovia variegata and Encholirium spectabile (Bromeliaceae

    Directory of Open Access Journals (Sweden)

    Ole Johan Juvik

    2017-09-01

    Full Text Available Extensive regional droughts are already a major problem on all inhabited continents and severe regional droughts are expected to become an increasing and extended problem in the future. Consequently, extended use of available drought resistant food plants should be encouraged. Bromelia laciniosa, Neoglaziovia variegata and Encholirium spectabile are excellent candidates in that respect because they are established drought resistant edible plants from the semi-arid Caatinga region. From a food safety perspective, increased utilization of these plants would necessitate detailed knowledge about their chemical constituents. However, their chemical compositions have previously not been determined. For the first time, the non-polar constituents of B. laciniosa, N. variegata and E. spectabile have been identified. This is the first thorough report on natural products from N. variegata, E. spectabile, and B. laciniosa. Altogether, 20 non-polar natural products were characterized. The identifications were based on hyphenated gas chromatography-high resolution mass spectrometry (GC-HRMS and supported by 1D and 2D Nuclear Magnetic Resonance (NMR plant metabolomics.

  3. High indium non-polar InGaN clusters with infrared sensitivity grown by PAMBE

    Directory of Open Access Journals (Sweden)

    Shruti Mukundan

    2015-03-01

    Full Text Available Studies on the optical properties of InGaN alloy of relatively higher indium content are of potential interest to understand the effect of indium content on the optical band gap of epitaxial InGaN. We report the growth of self assembled non-polar high indium clusters of In0.55Ga0.45N over non-polar (11-20 a-plane In0.17Ga0.83N epilayer grown on a-plane (11-20GaN/(1-102 r-plane sapphire substrate using plasma assisted molecular beam epitaxy (PAMBE. Such structures are potential candidates for high brightness LEDs emitting in longer wavelengths. The high resolution X-ray diffraction studies revealed the formation of two distinct compositions of InxGa1−xN alloys, which were further confirmed by photoluminescence studies. A possible mechanism for the formation of such structure was postulated which was supported with the results obtained by energy dispersive X-ray analysis. The structure hence grown when investigated for photo-detecting properties, showed sensitivity to both infrared and ultraviolet radiations due to the different composition of InGaN region.

  4. Rotational Diffusion of a New Large Non Polar Dye Molecule in Alkanes.

    Science.gov (United States)

    Goudar, Radha; Gupta, Ritu; Kulkarni, Giridhar U; Inamdar, Sanjeev R

    2015-11-01

    Rotational reorientation times of a newly synthesized 2,5-bis(phenylethynyl)1,4-bis(dodecyloxy) benzene (DDPE) are experimentally determined in series of n-alkanes by employing steady state and time resolved fluorescence depolarization technique with a view to understand rotational dynamics of large non-polar solute molecule in non-polar solvents and few general solvents of different sizes and varying viscosity. It is observed that rotational reorientation times vary linearly as function of viscosity. The hydrodynamic stick condition describes the experimental results at low viscosities while the results tend to deviate significantly from it at higher viscosities. This is attributed to the possibility of long chains in solvents hosting a variety of chain defects (end-gauche, double-gauche, all-trans, kink, etc.) thereby reducing the effective length of the molecule, leading to a slightly reduced friction. The experimental results are compared with the predictions of Stokes-Einstein-Debye (SED) hydrodynamic theory as well as the quasi-hydrodynamic theories of Gierer-Wirtz (GW) and Dote-Kivelson-Shwartz (DKS). The predictions from these theories underestimate τr in the solvents employed in the study.

  5. Morphological, structural and electrical investigations on non-polar a-plane ZnO epilayers

    Science.gov (United States)

    Lautenschlaeger, Stefan; Eisermann, Sebastian; Hofmann, Michael N.; Roemer, Udo; Pinnisch, Melanie; Laufer, Andreas; Meyer, Bruno K.; von Wenckstern, Holger; Lajn, Alexander; Schmidt, Florian; Grundmann, Marius; Blaesing, Juergen; Krost, Alois

    2010-07-01

    We report on the growth of non-polar a-plane ZnO by CVD on r-plane-sapphire-wafers, a-plane GaN-templates and a-plane ZnO single-crystal substrates. Only the homoepitaxial growth approach leads to a Frank-van-der-Merwe growth mode, as shown by atomic force microscopy. The X-ray-diffraction spectra of the homoepitaxial thin films mirror the excellent crystalline quality of the ZnO substrate. The morphological and the structural quality of the homoepitaxial films is comparable to the best results for the growth on c-plane ZnO-substrates. The impurity incorporation, especially of group III elements, seems to be reduced when growing on the non-polar a-plane surface compared to the c-plane films as demonstrated by secondary ion mass spectrometry (SIMS). Optical properties have been investigated using low temperature photoluminescence measurements. We employed capacitance-voltage measurements ( C- V) to measure the background carrier density and its profile from substrate/film interface throughout the film to the surface. In thermal admittance spectroscopy (TAS) specific traps could be distinguished, and their thermal activation energies and capture cross sections could be determined.

  6. High indium non-polar InGaN clusters with infrared sensitivity grown by PAMBE

    Energy Technology Data Exchange (ETDEWEB)

    Mukundan, Shruti; Mohan, Lokesh; Chandan, Greeshma; Krupanidhi, S. B., E-mail: sbk@mrc.iisc.ernet.in; Shinde, Satish; Nanda, K. K. [Materials Research Centre, Indian Institute of Science, Bangalore 560012 (India); Roul, Basanta [Materials Research Centre, Indian Institute of Science, Bangalore 560012 (India); Central Research Laboratory, Bharat Electronics, Bangalore 560013 (India); Maiti, R.; Ray, S. K. [Department of Physics, Indian Institute of Technology, Kharagpur (India)

    2015-03-15

    Studies on the optical properties of InGaN alloy of relatively higher indium content are of potential interest to understand the effect of indium content on the optical band gap of epitaxial InGaN. We report the growth of self assembled non-polar high indium clusters of In{sub 0.55}Ga{sub 0.45}N over non-polar (11-20) a-plane In{sub 0.17}Ga{sub 0.83}N epilayer grown on a-plane (11-20)GaN/(1-102) r-plane sapphire substrate using plasma assisted molecular beam epitaxy (PAMBE). Such structures are potential candidates for high brightness LEDs emitting in longer wavelengths. The high resolution X-ray diffraction studies revealed the formation of two distinct compositions of In{sub x}Ga{sub 1−x}N alloys, which were further confirmed by photoluminescence studies. A possible mechanism for the formation of such structure was postulated which was supported with the results obtained by energy dispersive X-ray analysis. The structure hence grown when investigated for photo-detecting properties, showed sensitivity to both infrared and ultraviolet radiations due to the different composition of InGaN region.

  7. Organic compounds in water extracts of coal: links to Balkan endemic nephropathy.

    Science.gov (United States)

    Maharaj, S V M; Orem, W H; Tatu, C A; Lerch, H E; Szilagyi, D N

    2014-02-01

    The Pliocene lignite hypothesis is an environmental hypothesis that has been proposed to explain the etiology of Balkan endemic nephropathy (BEN). Aqueous leaching experiments were conducted on a variety of coal samples in order to simulate groundwater leaching of organic compounds, and to further test the role of the Pliocene lignite hypothesis in the etiology of BEN. Experiments were performed on lignite coal samples from endemic BEN areas in Romania and Serbia, and lignite and bituminous coals from nonendemic regions in Romania and the USA. Room temperature, hot water bath, and Soxhlet aqueous extraction experiments were conducted between 25 and 80 °C, and from 5 to 128 days in duration. A greater number of organic compounds and in higher concentrations were present in all three types of leaching experiments involving endemic area Pliocene lignite samples compared to all other coals examined. A BEN causing molecule or molecules may be among phenols, PAHs, benzenes, and/or lignin degradation compounds. The proposed transport pathway of the Pliocene lignite hypothesis for organic compound exposure from endemic area Pliocene lignite coals to well and spring drinking water, is likely. Aromatic compounds leached by groundwater from Pliocene lignite deposits in the vicinity of endemic BEN areas may play a role in the etiology of the disease. A better understanding of organic compounds leached by groundwater from Pliocene lignite deposits may potentially lead to the identification and implementation of effective strategies for the prevention of exposure to the causative agent(s) for BEN, and in turn, prevention of the disease.

  8. Secondary organic aerosols formed from oxidation of biogenic volatile organic compounds in the Sierra Nevada Mountains of California

    Science.gov (United States)

    Cahill, Thomas M.; Seaman, Vincent Y.; Charles, M. Judith; Holzinger, Rupert; Goldstein, Allen H.

    2006-08-01

    Biogenic volatile organic compound (BVOC) emissions, such as isoprene and terpenes, can be oxidized to form less volatile carbonyls, acids, and multifunctional oxygenated products that may condense to form secondary organic aerosols (SOA). This research was designed to assess the contribution of oxidized BVOC emissions to SOA in coniferous forests by collecting high-volume particulate samples for 6 days and 5 nights in the summer of 2003. The samples were analyzed for acids, carbonyls, polyols and alkanes to quantify oxidized BVOCs. Terpene and isoprene oxidation products were among the most abundant chemical species detected with the exception of hexadecanoic acid, octadecanoic acid and two butyl esters of unknown origin. The terpene oxidation products of pinonic acid, pinic acid, nopinone and pinonaldehyde showed clear diurnal cycles with concentrations two- to eight-fold higher at night. These cycles resulted from the diurnal cycles in gaseous terpene concentrations and lower temperatures that enhanced condensation of semivolatile chemicals onto aerosols. The terpene-derived compounds averaged 157 ± 118 ng/m3 of particulate organic matter while the isoprene oxidation compounds, namely the 2-methyltetrols and 2-methylglyceric acid, accounted for 53 ± 19 ng/m3. Together, the terpene and isoprene oxidation products represented 36.9% of the identified organic mass of 490 ± 95 ng/m3. PM10 organic matter loadings in the region were approximately 2.1 ± 1.2 μg/m3, so about 23% of the organic matter was identified and at least 8.6% was oxidized BVOCs. The BVOC oxidation products we measured were significant, but not dominant, contributors to the regional SOA only 75 km downwind of the Sacramento urban area.

  9. Contribution of sulfuric acid and oxidized organic compounds to particle formation and growth

    Directory of Open Access Journals (Sweden)

    F. Riccobono

    2012-05-01

    Full Text Available Lack of knowledge about the mechanisms underlying new particle formation and their subsequent growth is one of the main causes for the large uncertainty in estimating the radiative forcing of atmospheric aerosols in global models. We performed chamber experiments designed to study the contributions of sulfuric acid and organic vapors to formation and to the early growth of nucleated particles, respectively. Distinct experiments in the presence of two different organic precursors (1,3,5-trimethylbenzene and α-pinene showed the ability of these compounds to reproduce the formation rates observed in the low troposphere. These results were obtained measuring the sulfuric acid concentrations with two Chemical Ionization Mass Spectrometers confirming the results of a previous study which modeled the sulfuric acid concentrations in presence of 1,3,5-trimethylbenzene.

    New analysis methods were applied to the data collected with a Condensation Particle Counter battery and a Scanning Mobility Particle Sizer, allowing the assessment of the size resolved growth rates of freshly nucleated particles. The effect of organic vapors on particle growth was investigated by means of the growth rate enhancement factor (Γ, defined as the ratio between the measured growth rate in the presence of α-pinene and the kinetically limited growth rate of the sulfuric acid and water system. The observed Γ values indicate that the growth is dominated by organic compounds already at particle diameters of 2 nm. Both the absolute growth rates and Γ showed a strong dependence on particle size supporting the nano-Köhler theory. Moreover, the separation of the contributions from sulfuric acid and organic compounds to particles growth reveals that the organic contribution seems to be enhanced by the sulfuric acid concentration. The size resolved growth analysis finally indicates that both condensation of oxidized organic compounds and reactive uptake contribute to

  10. Contribution of sulfuric acid and oxidized organic compounds to particle formation and growth

    Directory of Open Access Journals (Sweden)

    F. Riccobono

    2012-10-01

    Full Text Available Lack of knowledge about the mechanisms underlying new particle formation and their subsequent growth is one of the main causes for the large uncertainty in estimating the radiative forcing of atmospheric aerosols in global models. We performed chamber experiments designed to study the contributions of sulfuric acid and organic vapors to the formation and early growth of nucleated particles. Distinct experiments in the presence of two different organic precursors (1,3,5-trimethylbenzene and α-pinene showed the ability of these compounds to reproduce the formation rates observed in the low troposphere. These results were obtained measuring the sulfuric acid concentrations with two chemical ionization mass spectrometers confirming the results of a previous study which modeled the sulfuric acid concentrations in presence of 1,3,5-trimethylbenzene.

    New analysis methods were applied to the data collected with a condensation particle counter battery and a scanning mobility particle sizer, allowing the assessment of the size resolved growth rates of freshly nucleated particles. The effect of organic vapors on particle growth was investigated by means of the growth rate enhancement factor (Γ, defined as the ratio between the measured growth rate in the presence of α-pinene and the kinetically limited growth rate of the sulfuric acid and water system. The observed Γ values indicate that the growth is already dominated by organic compounds at particle diameters of 2 nm. Both the absolute growth rates and Γ showed a strong dependence on particle size, supporting the nano-Köhler theory. Moreover, the separation of the contributions from sulfuric acid and organic compounds to particle growth reveals that the organic contribution seems to be enhanced by the sulfuric acid concentration. Finally, the size resolved growth analysis indicates that both condensation of oxidized organic compounds and reactive uptake contribute to particle growth.

  11. Organic compounds of different extractability in total solvent extracts from soils of contrasting water repellency

    Science.gov (United States)

    Atanassova, Irena; Doerr, Stefan H.

    2010-05-01

    Previous studies examining organic compounds that may cause water-repellent behaviour of soils have typically focussed on analysing only the lipophilic fraction of extracted material. This study aimed to provide a more comprehensive examination by applying single- and sequential-accelerated solvent extraction (ASE), separation and analysis by GC/MS of the total solvent extracts of three soils taken from under eucalypt vegetation with different levels of water repellency. Water repellency increased in all the soils after extraction with DCM:MeOH (95:5), but was eliminated with iso-propanol/ammonia (95:5). Quantities of major lipid compound classes varied between solvents and soils. Iso-propanol/ammonia (95:5) solvent released saccharides, glycerol, aromatic acids and other polar organic compounds, which were more abundant in fractionated extracts from the single extraction and the third step sequential ASE extraction, than in the extracts from the DCM:MeOH ASE solvent. Dominant compounds extracted from all soils were long-chain alkanols (>C22), palmitic acid, C29 alkane, β-sitosterol, terpenes, terpenoids and other polar compounds. The soil with smallest repellency lacked >C18 fatty acids and had smallest concentrations of alkanols (C26, C28 and C30) and alkanes (C29, C31), but a greater abundance of more complex polar compounds than the more repellent soils. We therefore speculate that the above compounds play an important role in determining the water repellency of the soils tested. The results suggest that one-stage and sequential ASE extractions with iso-propanol:ammonia and subsequent fractionation of extracts are a useful approach in providing a comprehensive assessment of the potential compounds involved in causing soil water repellency.

  12. Synthesis and characterization of novel organic heteroatom compounds from reaction of Woollins’ Reagent with various organic substrates

    OpenAIRE

    Hua, Guoxiong; Du, Junyi; Cordes, David Bradford; Athukorala Arachchige, Kasun Sankalpa; Slawin, Alexandra Martha Zoya; Woollins, J. Derek

    2016-01-01

    A series of new selenium-containing heteroatom compounds were synthesized in good yields by the reactions of Woollins’ reagent with various organic substrates such as cyclohexanamine, N-benzoylbenzamide, benzoic anhydride, 4-fluoro-N-(2-oxo-2-phenylethyl)benzamide, N-benzoylbenzamide, benzoic anhydride, 3-(bromomethyl)benzonitrile, 1,2-diphenylethane-1,2-diol and sodium alcoholate. Three representative X-ray structures are described. Postprint Postprint Peer reviewed

  13. Mineral and organic compounds in leachate from landfill with concentrate recirculation.

    Science.gov (United States)

    Talalaj, Izabela Anna

    2015-02-01

    The effect of a reverse osmosis concentrate recirculation on the mineral and organic compounds in a landfill leachate was investigated. Investigated was the quality of a leachate from two landfills operated for different periods (a 20-year-old Cell A and a 1-year-old Cell B), where the concentrate was recirculated. Examined were general parameters (conductivity, pH), organic compounds (biochemical oxygen demand (BOD), chemical oxygen demand (COD), total organic nitrogen, BOD/COD), and inorganic compounds (nitrogen ammonia, sulfite, sulfate, cyanide, boron, chloride, ferrous, zinc, chrome, copper). The findings from the first year of investigation showed that over the initial period of recirculation, the concentration of organic compounds (BOD, COD) increased, but after 6 months their values stabilized. It indicates that the concentrate recirculation accelerated organic decomposition, especially in the new landfill Cell. The analysis of inorganic parameters showed that recirculation landfills produce a leachate with a higher concentration of N-NH4, and Cl(-). In case of the old landfill Cell, an increase in B and Fe was also noticeable. These compounds are cyclically washed out from a waste dump and require an additional pretreatment in order to exclude them from recirculation cycle. The increased concentration of Cu, Zn, and Fe was noticed during the initial months of recirculation and in the season of intense atmospheric precipitation in the leachate from both Cells. Higher values of electro conductivity, Cl(-), N-NH4 (+), B, and Fe in the leachate from the old field indicate that the attenuation capacity of this landfill is close to exhaustion.

  14. Improved QSPR Study of Diamagnetic Susceptibilities for Organic Compounds Using Two Novel Molecular Connectivity Indexes

    Institute of Scientific and Technical Information of China (English)

    MU Lailong; HE Hongmei; YANG Weihua

    2009-01-01

    For predicting the molar diamagnetic susceptibilities of organic compounds, a variable molecular connectivity index mχ' and its converse index mχ" based on adjacency matrix of molecular graphs and the variable atomic valence connectivity index δi' were proposed. The optimal values of parameters x, a, and y included in definition of δi', mχ' and mχ" can be found by an optimization method. When x=2.9, a= 1.10, and y=0.36, a good five-parameter model for the molar diamagnetic susceptibilities can be constructed from 0χ',1χ',2χ',1χ" and 2χ" by using the best subset re-gression analysis method. The correlation coefficient r, standard error s, and average absolute deviation of the mul-tilinear regression (MLR) model are 0.9930, 4.96 cgs, and 3.74 cgs, respectively, for the 721 organic compounds (training set). The cross-validation by using the leave-one-out method demonstrates that the MLR model is highly reliable from the point of view of statistics. The average absolute deviation of predicted values of the molar dia-magnetic susceptibility of another 360 organic compounds (test set) is 4.37 cgs for the MLR model. The results show that the current method is more effective than literature methods for estimating the molar diamagnetic suscep-tibility of an organic compound. The MLR method can provide an acceptable model for the prediction of the molar diamagnetic susceptibilities of organic compounds.

  15. How to examine soil sorption of ionizable organic compounds and avoid varying pH?

    Science.gov (United States)

    Borisover, Mikhail

    2017-04-01

    Multiple natural and anthropogenic organic compounds including new and emerging pollutants undergo ionization in aqueous solutions, and their sorption by soils and sediments is contributed by presence of both molecular and ionized species. Better understanding of environmental fate of organic chemicals requires taking into account interactions of molecular and ionized species with environmental sorbents. A "standard" (and undoubtedly important) procedure for differentiating contributions of molecular and ionized species into the overall soil sorption of an organic compound involves varying pH of solution in batch sorption experiments. However, varying pH is (1) often not possible, without destroying a sorbent, e.g., due to the buffer capacity of soils containing carbonates, (2) difficult for further interpretation, since it changes not only the ionization status of a solute in a solution but also the sorbent structure, e.g., a conformation of organic matter, and/or ionization of surface functional groups, (3) making difficult (or even impossible) to explicitly evaluate the role of dissolved species-bulk water interactions, directly affecting the affinity of a sorbate to distribute between water and a sorbent. Indeed, both molecular and ionized species undergo interactions with the solvent bulk and, at least in the case of the ionized ones, there was no a simple way to quantify organic ion-water interactions and their role in organic ion distribution between soil and water phases. This paper presents a "counter-intuitive" approach to examine sorption interactions of an ionizable compound, without experimenting with varied pH. The approach is based on an idea of replacing an initial state in sorption transfer of an ionizable compound from the solvent bulk to a solvated (hydrated) sorbed state: a traditional coefficient describing distribution of a partially ionized compound between a hydrated sorbent and a co-equilibrated aqueous phase is converted to the coefficient

  16. Raman microspectroscopy of hydrotalcite-like compounds modified with sulphate and sulphonate organic anions

    Science.gov (United States)

    Burrueco, María Isabel; Mora, Manuel; Jiménez-Sanchidrián, César; Ruiz, José Rafael

    2013-02-01

    Hydrotalcite-like compounds (HTlcs) containing dodecylsulphate and dodecylbenzene-sulphonate organic anions in their interlayer region were synthesized by rehydrating the calcination product of a 3:1 magnesium-aluminium hydrotalcite intercalated with carbonate ions and characterized by Raman microspectroscopy. The Raman spectra for the samples with intercalated organic anions exhibited the typical bands for the hydrocarbon chains and the sulphate or sulphonate group. This is the first time HTlcs containing organic sulphate or sulphonate ions have been characterized by this technique and Raman spectroscopy proved an effective tool for discriminating between organo-hybrid HTlcs.

  17. The search for organic substances and inorganic volatile compounds in the surface of Mars

    Science.gov (United States)

    Biemann, K.; Oro, J.; Toulmin, P., III; Orgel, L. E.; Nier, A. O.; Anderson, D. M.; Flory, D.; Diaz, A. V.; Rushneck, D. R.; Simmonds, P. G.

    1977-01-01

    A total of four Martian samples, one surface and one subsurface sample at each of the two Viking landing sites, Chryse Planitia and Utopia Planitia, have been analyzed for organic compounds by a gas chromatograph-mass spectrometer. In none of these experiments could organic material of Martian origin be detected at detection limits generally of the order of parts per billion and for a few substances closer to parts per million. The evolution of water and carbon dioxide, but not of other inorganic gases, was observed upon heating the sample to temperatures of up to 500 C. The absence of organic compounds seems to preclude their production on the planet at rates that exceed the rate of their destruction. It also makes it unlikely that living systems that behave in a manner similar to terrestrial biota exist, at least at the two Viking landing sites.

  18. Organic Compounds in Truckee River Water Used for Public Supply near Reno, Nevada, 2002-05

    Science.gov (United States)

    Thomas, Karen A.

    2009-01-01

    Organic compounds studied in this U.S. Geological Survey (USGS) assessment generally are man-made, including, in part, pesticides, solvents, gasoline hydrocarbons, personal care and domestic-use products, and refrigerants and propellants. Of 258 compounds measured, 28 were detected in at least 1 source water sample collected approximately monthly during 2002-05 at the intake of the Chalk Bluff Treatment Plant, on the Truckee River upstream of Reno, Nevada. The diversity of compounds detected indicate various sources and uses (including wastewater discharge, industrial, agricultural, domestic, and others) and different pathways (including point sources from treated wastewater outfalls upstream of the sampling location, overland runoff, and groundwater discharge) to drinking-water supply intakes. Three compounds were detected in more than 20 percent of the source-water intake samples at low concentrations (less than 0.1 microgram per liter), including caffeine, p-cresol (a wood preservative), and toluene (a gasoline hydrocarbon). Sixteen of the 28 compounds detected in source water also were detected in finished water (after treatment, but prior to distribution; 2004-05). Additionally, two disinfection by-products not detected in source water, bromodichloromethane and dibromochloromethane, were detected in all finished water samples. Two detected compounds, cholesterol and 3-beta-coprostanol, are among five naturally occurring biochemicals analyzed in this study. Concentrations for all detected compounds in source and finished water generally were less than 0.1 microgram per liter and always less than human-health benchmarks, which are available for about one-half of the compounds. Seven compounds (toluene, chloroform, bromodichloromethane, dibromodichloromethane, bisphenol A, cholesterol, and 3-beta-coprostanol) were measured at concentrations greater than 0.1 microgram per liter. On the basis of this screening-level assessment, adverse effects to human health are

  19. Effect of fouling on removal of trace organic compounds by nanofiltration

    Directory of Open Access Journals (Sweden)

    S. Hajibabania

    2011-12-01

    Full Text Available The fate of chemical of concern is not yet fully understood during treatment of impaired waters. The aim of this paper is to assess the impact of different organic-based fouling layers on the removal of a large range of trace organics. Both model and real water samples (mixed with trace organic contaminants at environmental concentration of 2 μg l−1 were used to simulate fouling in nanofiltration under controlled environment. The new and fouled membranes were systematically characterised for surface charge, hydrophobicity and roughness. It was observed that fouling generally reduced the membrane surface charge; however, the alterations of the membrane hydrophobicity and surface roughness were dependent on the foulants composition. The rejection of charged trace organics was observed to be improved due to the increased electrostatic repulsion by fouled membranes and the adsorption of the trace organic chemicals onto organic matters. On the other hand, the removal of nonionic compounds decreased when fouling occurred, due to the presence of cake enhanced concentration polarization. The fouling layer structure was found to play an important role in the rejection of the trace organic compounds.

  20. Effect of fouling on removal of trace organic compounds by nanofiltration

    Directory of Open Access Journals (Sweden)

    S. Hajibabania

    2011-09-01

    Full Text Available The fate of chemical of concern is not yet fully understood during treatment of impaired waters. The aim of this paper is to assess the impact of different organic-based fouling layers on the removal of a large range of trace organics. Both model and real water samples (mixed with trace organic contaminants at environmental concentration of 2 μg l−1 were used to simulate fouling in NF under controlled environment. The new and fouled membranes were systematically characterised for surface charge, hydrophobicity and roughness. It was observed that fouling generally reduced the membrane surface charge; however, the alterations of the membrane hydrophobicity and surface roughness were dependent on the foulants composition. The rejection of charged trace organics was observed to be improved due to the increased electrostatic repulsion by fouled membranes and the adsorption of the trace organic chemicals onto organic matters. On the other hand, the removal of nonionic compounds decreased when fouling occurred, due to the presence of cake enhanced concentration polarization. The fouling layer structure was found to play an important role in the rejection of the trace organic compounds.