Love Story: Oxygen in Organic Chemistry

Science.gov (United States)

Roberts, John D.

1974-01-01

Significant discoveries and developments regarding oxygen and organic compounds are recounted to show that research in this specific area is worthwhile and relevant and to point out that research in other areas of organic chemistry deserves continued encouragement as well. (DT)

The use of field redox measurements in assessing remediation of ground water containing petroleum hydrocarbons and chlorinated organic compounds

International Nuclear Information System (INIS)

Warner, S.D.; Gallinatti, J.D.; Honniball, J.H.

1995-01-01

Field measurements of the reduction-oxidation (redox) condition of ground water were used to assess the effects of in situ remediation of ground water affected by petroleum hydrocarbons and chlorinated organic compounds at multiple sites in northern California. The redox condition of ground water, traditionally measured quickly and inexpensively using a meter that measures electrode potential (Eh), is a valuable parameter by which to assess the conditions that affect the relative stability of various chemicals in ground water. Although not specific to a given redox couple measurements obtained using the traditional Eh meter give a sense of the relative tendency for a ground water to be reducing or oxidizing by providing a measurement of the system Eh. Two cases demonstrate the use of ground water Eh measurements in assessing the effects of in situ ground water remediation. In the first case, ground water affected by petroleum hydrocarbons-gasoline (TPHg), and benzene, toluene, ethylbenzene, and xylenes (BTEX) (ambient Eh of -100 to +100 millivolts [mv]) was treated by injecting hydrogen peroxide to supply oxygen to the subsurface environment and stimulate microbial activity. The second case involved remediation of ground water containing chlorinated organic compounds. In this case, a subsurface permeable ground water treatment wall containing granular iron was installed across the flow path of the affected ground water. The in situ chemical treatment, which successfully dechlorinates compounds such as trichloroethylene, 1,2-dichloroethylene, and vinyl chloride, caused reducing conditions in the ground water, which resulted in the decrease in ground water Eh from am ambient reading of about -50 mv to about -400 mv

Synthesis and reactivity of compounds containing ruthenium-carbon, -nitrogen, and -oxygen bonds

International Nuclear Information System (INIS)

Hartwig, J.F.

1990-12-01

The products and mechanisms of the thermal reactions of several complexes of the general structure (PMe 3 ) 4 Ru(X)(Y) and (DMPM) 2 Ru(X)(Y) where X and Y are hydride, aryl, and benzyl groups, have been investigated. The mechanism of decomposition depends critically on the structure of the complex and the medium in which the thermolysis is carried out. The alkyl hydride complexes are do not react with alkane solvent, but undergo C-H activation processes with aromatic solvents by several different mechanisms. Thermolysis of (PMe 3 ) 4 Ru(Ph)(Me) or (PMe 3 ) 4 Ru(Ph) 2 leads to the ruthenium benzyne complex (PMe 3 ) 4 Ru(η 2 -C 6 H 4 ) (1) by a mechanism which involves reversible dissociation of phosphine. In many ways its chemistry is analogous to that of early rather than late organo transition metal complexes. The synthesis, structure, variable temperature NMR spectroscopy and reactivity of ruthenium complexes containing aryloxide or arylamide ligands are reported. These complexes undergo cleavage of a P-C bond in coordinated trimethylphosphine, insertion of CO and CO 2 and hydrogenolysis. Mechanistic studies on these reactions are described. The generation of a series of reactive ruthenium complexes of the general formula (PMe 3 ) 4 Ru(R)(enolate) is reported. Most of these enolates have been shown to bind to the ruthenium center through the oxygen atom. Two of the enolate complexes 8 and 9 exist in equilibrium between the O- and C-bound forms. The reactions of these compounds are reported, including reactions to form oxygen-containing metallacycles. The structure and reactivity of these ruthenium metallacycles is reported, including their thermal chemistry and reactivity toward protic acids, electrophiles, carbon monoxide, hydrogen and trimethylsilane. 243 refs., 10 tabs

Synthesis and reactivity of compounds containing ruthenium-carbon, -nitrogen, and -oxygen bonds

Energy Technology Data Exchange (ETDEWEB)

Hartwig, J.F.

1990-12-01

The products and mechanisms of the thermal reactions of several complexes of the general structure (PMe{sub 3}){sub 4}Ru(X)(Y) and (DMPM){sub 2}Ru(X)(Y) where X and Y are hydride, aryl, and benzyl groups, have been investigated. The mechanism of decomposition depends critically on the structure of the complex and the medium in which the thermolysis is carried out. The alkyl hydride complexes are do not react with alkane solvent, but undergo C-H activation processes with aromatic solvents by several different mechanisms. Thermolysis of (PMe{sub 3}){sub 4}Ru(Ph)(Me) or (PMe{sub 3}){sub 4}Ru(Ph){sub 2} leads to the ruthenium benzyne complex (PMe{sub 3}){sub 4}Ru({eta}{sup 2}-C{sub 6}H{sub 4}) (1) by a mechanism which involves reversible dissociation of phosphine. In many ways its chemistry is analogous to that of early rather than late organo transition metal complexes. The synthesis, structure, variable temperature NMR spectroscopy and reactivity of ruthenium complexes containing aryloxide or arylamide ligands are reported. These complexes undergo cleavage of a P-C bond in coordinated trimethylphosphine, insertion of CO and CO{sub 2} and hydrogenolysis. Mechanistic studies on these reactions are described. The generation of a series of reactive ruthenium complexes of the general formula (PMe{sub 3}){sub 4}Ru(R)(enolate) is reported. Most of these enolates have been shown to bind to the ruthenium center through the oxygen atom. Two of the enolate complexes 8 and 9 exist in equilibrium between the O- and C-bound forms. The reactions of these compounds are reported, including reactions to form oxygen-containing metallacycles. The structure and reactivity of these ruthenium metallacycles is reported, including their thermal chemistry and reactivity toward protic acids, electrophiles, carbon monoxide, hydrogen and trimethylsilane. 243 refs., 10 tabs.

Simultaneous determination of oxygen and cadmium in cadmium and cadmium compounds

International Nuclear Information System (INIS)

Imaeda, K.; Kuriki, T.; Ohsawa, K.; Ishii, Y.

1977-01-01

Cadmium and its compounds were analysed for oxygen and cadmium by a modification of the Schutze-Unterzaucher method. Oxygen in some compounds such as cadmium oxide, nitrate and sulphate could not be determined by the usual method. The method of adding carbon was employed for the determination of total oxygen. Total oxygen could be determined by the addition of 5 mg of carbon to a sample boat and heating at 950 0 . The determination was also carried out by addition of naphthalene (2 mg). It was found that the cadmium powder and cadmium flake used contained ca. 1 and 0.15% oxygen, respectively. Oxygen and cadmium in cadmium and its compounds were simultaneously determined by the addition of 2 mg of naphthalene. Cadmium was determined colorimetrically by use of glyoxal-bis-(2-hydroxyanil). Oxygen and cadmium in the samples could be determined simultaneously with an average error of -0.02 and -0.22%, respectively. (author)

Effects of oxygen and sulphydryl-containing compounds on irradiated transforming DNA

International Nuclear Information System (INIS)

Held, K.D.; Harrop, H.A.; Michael, B.D.

1984-01-01

Dithiothreitol (DTT), cysteamine, cysteine and glutathione all protect B. subtilis transforming DNA in a manner dependent on gassing conditions. In O 2 , the protection is consistent with the scavenging of OH radicals by the SH compounds, but in N 2 there is additional protection possibly due to hydrogen atom donation from the SH compound to radiation-induced DNA lesions, a process blocked by O 2 . This additional protection results in an increase in the ratio of inactivation in the absence and presence of oxygen with increasing SH concentration to a maximum followed by a decrease at high SH concentrations. The maximum value of the ratio and the SH concentration at which it occurs depend on the SH compound. In particular, GSH appears to be significantly less efficient in the hydrogen-donation repair reaction with transforming DNA than are the other three SH compounds. The existence is postulated of a damage fixation process occurring in the absence of O 2 , in competition with damage repair by SH compounds, at a rate not less than 300s -1 . Results demonstrate that the damage fixing reaction of O 2 with transforming DNA radicals proceeds 200-fold faster than the competing repair reaction by hydrogen-donation from DTT. (U.K.)

Remediation of ground water containing volatile organic compounds and tritium

International Nuclear Information System (INIS)

Shukla, S.N.; Folsom, E.N.

1994-03-01

The Trailer 5475 (T-5475) East Taxi Strip Area at Lawrence Livermore National Laboratory (LLNL), Livermore, California was used as a taxi strip by the US Navy to taxi airplanes to the runway from 1942 to 1947. Solvents were used in some unpaved areas adjacent to the East Taxi Strip for cleaning airplanes. From 1953 through 1976, the area was used to store and treat liquid waste. From 1962 to 1976 ponds were constructed and used for evaporation of liquid waste. As a result, the ground water in this area contains volatile organic compounds (VOCs) and tritium. The ground water in this area is also known to contain hexavalent chromium that is probably naturally occurring. Therefore, LLNL has proposed ''pump-and-treat'' technology above grade in a completely closed loop system. The facility will be designed to remove the VOCs and hexavalent chromium, if any, from the ground water, and the treated ground water containing tritium will be reinjected where it will decay naturally in the subsurface. Ground water containing tritium will be reinjected into areas with equal or higher tritium concentrations to comply with California regulations

The gas-chromatographic and gas-chromatographic-mass-spectrometric identification of halogen-containing organic compounds

Science.gov (United States)

Gidaspov, B. V.; Zenkevich, I. G.; Rodin, A. A.

1989-09-01

The problem of identifying halogen-containing organic compounds in their gas-chromatographic and gas-chromatographic-mass-spectrometric (GC-MS) determination in different materials has been examined. Particular attention has been paid not to the complete characterisation of methods for carrying out this analysis but to the most important problem of increasing the selectivity at the stages of sampling, separation, and interpretation of the gas-chromatographic and GC-MS information. The bibliography contains 292 references.

and 8-Membered Oxygen-containing Benzo-fused Rings using ...

African Journals Online (AJOL)

NJD

A number of benzo-fused oxygen-containing heterocycles were synthesized from allyl-3-isopropoxy-4-methoxybenzaldehyde using metathesis or an alkene isomerization-metathesis sequence as key synthetic steps. Benzo-fused compounds thus formed included a 3,6-dihydro-1H-2-benzoxocine, ...

Organic compounds containing methoxy and cyanoacrylic acid: Synthesis, characterization, crystal structures, and theoretical studies

Energy Technology Data Exchange (ETDEWEB)

Khalaji, A. D., E-mail: alidkhalaji@yahoo.com [Golestan University, Department of Chemistry, Faculty of Science (Iran, Islamic Republic of); Maddahi, E. [Iran University of Science & Technology, Ms.C Educated, Department of Chemistry (Iran, Islamic Republic of); Dusek, M.; Fejfarova, K. [Institute of Physics of the ASCR, v.v.i. (Czech Republic); Chow, T. J. [Academia Sinica, Institute of Chemistry (China)

2015-12-15

Metal-free organic compounds 24-SC ((E)-2-cyano-3-(2,4-dimethoxyphenyl)acrylic acid) and 34-SC ((E)-2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid), containing methoxy groups as a donor and the acrylic acid as an acceptor were synthesized and characterized by CHN, FT-IR, UV-Vis, {sup 1}H-NMR and single crystal X-ray diffraction and used as photosensitizers for the application of dye-sensitized solar cells (DSSC). The sensitizing characteristics of them were evaluated. Both compounds contain the natural molecule, its anionic form and the piperidinium cation and they differ by number of these molecules in the asymmetric unit. To get further insight into the effect of molecular structure on the performance of DSSC, their geometry and energies of HOMO and LUMO were optimized by density functional theory calculation at the B3LYP/6-31G(d) level with Gaussian 03. Overall conversion efficiencies of 0.78 under full sunlight irradiation are obtained for DSSCs based on the new metal-free organic dyes 24-SC and 34-SC.

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

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.

Organic compounds in the Murchison meteorite.

Science.gov (United States)

Ponnamperuma, C.

1972-01-01

Impressive supporting evidence for the concept of the chemical evolution of life has appeared in the discovery of biologically important compounds in extraterrestrial samples. The approaches pursued to detect extraterrestrial organic compounds include the study of interstellar space by radioastronomy, the evaluation of the Apollo lunar samples, and the analysis of meteorites, both ancient and recent. It has been found that the clouds of gas in the interstellar medium contain a wide variety of molecules, most of which are organic in nature. The carbonaceous chondrites contain polymeric organic matter. Amino acids have been detected in the Murchison meteorite.

Importance of Electrode Material in the Electrochemical Treatment of Wastewater Containing Organic Pollutants

Science.gov (United States)

Panizza, Marco

Electrochemical oxidation is a promising method for the treatment of wastewaters containing organic compounds. As a general rule, the electrochemical incineration of organics at a given electrode can take place at satisfactory rates and without electrode deactivation only at high anodic potentials in the region of the water discharge due to the participation of the intermediates of oxygen evolution. The nature of the electrode material strongly influences both the selectivity and the efficiency of the process. In particular, anodes with low oxygen evolution overpotential (i.e., good catalysts for oxygen evolution reactions), such as graphite, IrO2, RuO2, and Pt only permit the partial oxidation of organics, while anodes with high oxygen evolution overpotential (i.e., anodes that are poor catalysts for oxygen evolution reactions), such as SnO2, PbO2, and boron-doped diamond (BDD) favor the complete oxidation of organics to CO2 and so are ideal electrodes for wastewater treatment.However, the application of SnO2 and PbO2 anodes may be limited by their short service life and the risk of lead contamination, while BDD electrodes exhibit good chemical and electrochemical stability, a long life, and a wide potential window for water discharge, and are thus promising anodes for industrial-scale wastewater treatment.

A Neat Trick Using Oxalic Acid Dihydrate and Potassium Permanganate and Other Experiments with Small Organic Amine or Oxygenated Compounds

Science.gov (United States)

Kelland, Malcolm A.

2011-01-01

Solid potassium permanganate (KMnO[subscript 4]) is shown to react in a variety of ways with small organic amines or oxygenated compounds depending on whether they are liquids or solids and whether water is present. In particular, its reaction with solid oxalic acid dihydrate can be initiated by the moisture in one's breath, making an intriguing…

Chlorination of cooling water: a source of chlorine-containing organic compounds with possible environmental significance

International Nuclear Information System (INIS)

Jolley, R.L.; Gehrs, C.W.; Pitt, W.W. Jr.

1976-01-01

Chlorination of cooling waters may be a source of environmentally significant pollutants. Many water-soluble chlorine-containing organic compounds of low volatility were found in a sample of cooling water chlorinated to a 2-mg/l chlorine concentration in the laboratory. The compounds were separated and detected using a coupled 36 Cl-tracer--high-resolution liquid chromatographic technique developed at the Oak Ridge National Laboratory for determination of chlorinated organics in process effluents. For a chlorination contact time of 75 min at 25 0 C, the yield of chlorine in the form of chloro-organics amounted to 0.78% of the chlorine dosage. It is estimated that the yield is about 0.5% under typical reaction conditions in the electric power plant cooling system chosen for study. Because chlorine is commonly used to remove slime films from the cooling systems of electric power plants, as a means of maintaining high operational efficiency, it is estimated that several hundred tons of chlorinated organics are produced annually in the nation by this antifoulant process. The chromatographic elution positions of some of the separated constituents correspond to those of compounds separated and partially identified from chlorinated sewage treatment plant effluents. The results of this study indicate the formation of chloro-organics during the chlorination of cooling waters should be thoroughly examined, particularly with respect to their identification and determination of possible toxicological properties

Air sparging of organic compounds in groundwater

International Nuclear Information System (INIS)

Hicks, P.M.

1994-01-01

Soils and aquifers containing organic compounds have been traditionally treated by excavation and disposal of the soil and/or pumping and treating the groundwater. These remedial options are often not practical or cost effective solutions. A more favorable alternative for removal of the adsorbed/dissolved organic compounds would be an in situ technology. Air sparging will remove volatile organic compounds from both the adsorbed and dissolved phases in the saturated zone. This technology effectively creates a crude air stripper below the aquifer where the soil acts as the ''packing''. The air stream that contacts dissolved/adsorbed phase organics in the aquifer induces volatilization. A case history illustrates the effectiveness of air sparging as a remedial technology for addressing organic compounds in soil and groundwater. The site is an operating heavy equipment manufacturing facility in central Florida. The soil and groundwater below a large building at the facility was found to contain primarily diesel type petroleum hydrocarbons during removal of underground storage tanks. The organic compounds identified in the groundwater were Benzene, Xylenes, Ethylbenzene and Toluenes (BTEX), Methyl tert-Butyl Ether (MTBE) and naphthalenes in concentrations related to diesel fuel

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

Microlayer source of oxygenated volatile organic compounds in the summertime marine Arctic boundary layer

Science.gov (United States)

Mungall, Emma L.; Abbatt, Jonathan P. D.; Wentzell, Jeremy J. B.; Lee, Alex K. Y.; Thomas, Jennie L.; Blais, Marjolaine; Gosselin, Michel; Miller, Lisa A.; Papakyriakou, Tim; Willis, Megan D.; Liggio, John

2017-06-01

Summertime Arctic shipboard observations of oxygenated volatile organic compounds (OVOCs) such as organic acids, key precursors of climatically active secondary organic aerosol (SOA), are consistent with a novel source of OVOCs to the marine boundary layer via chemistry at the sea surface microlayer. Although this source has been studied in a laboratory setting, organic acid emissions from the sea surface microlayer have not previously been observed in ambient marine environments. Correlations between measurements of OVOCs, including high levels of formic acid, in the atmosphere (measured by an online high-resolution time-of-flight mass spectrometer) and dissolved organic matter in the ocean point to a marine source for the measured OVOCs. That this source is photomediated is indicated by correlations between the diurnal cycles of the OVOC measurements and solar radiation. In contrast, the OVOCs do not correlate with levels of isoprene, monoterpenes, or dimethyl sulfide. Results from box model calculations are consistent with heterogeneous chemistry as the source of the measured OVOCs. As sea ice retreats and dissolved organic carbon inputs to the Arctic increase, the impact of this source on the summer Arctic atmosphere is likely to increase. Globally, this source should be assessed in other marine environments to quantify its impact on OVOC and SOA burdens in the atmosphere, and ultimately on climate.

Microlayer source of oxygenated volatile organic compounds in the summertime marine Arctic boundary layer.

Science.gov (United States)

Mungall, Emma L; Abbatt, Jonathan P D; Wentzell, Jeremy J B; Lee, Alex K Y; Thomas, Jennie L; Blais, Marjolaine; Gosselin, Michel; Miller, Lisa A; Papakyriakou, Tim; Willis, Megan D; Liggio, John

2017-06-13

Summertime Arctic shipboard observations of oxygenated volatile organic compounds (OVOCs) such as organic acids, key precursors of climatically active secondary organic aerosol (SOA), are consistent with a novel source of OVOCs to the marine boundary layer via chemistry at the sea surface microlayer. Although this source has been studied in a laboratory setting, organic acid emissions from the sea surface microlayer have not previously been observed in ambient marine environments. Correlations between measurements of OVOCs, including high levels of formic acid, in the atmosphere (measured by an online high-resolution time-of-flight mass spectrometer) and dissolved organic matter in the ocean point to a marine source for the measured OVOCs. That this source is photomediated is indicated by correlations between the diurnal cycles of the OVOC measurements and solar radiation. In contrast, the OVOCs do not correlate with levels of isoprene, monoterpenes, or dimethyl sulfide. Results from box model calculations are consistent with heterogeneous chemistry as the source of the measured OVOCs. As sea ice retreats and dissolved organic carbon inputs to the Arctic increase, the impact of this source on the summer Arctic atmosphere is likely to increase. Globally, this source should be assessed in other marine environments to quantify its impact on OVOC and SOA burdens in the atmosphere, and ultimately on climate.

Oxygen-containing coke species in zeolite-catalyzed conversion of methanol to hydrocarbons

KAUST Repository

Liu, Zhaohui; Dong, Xinglong; Liu, Xin; Han, Yu

2016-01-01

Zeolites are the most commonly used catalysts for methanol-to-hydrocarbon (MTH) conversion. Here, we identified two oxygen-containing compounds as coke species in zeolite catalysts after MTH reactions. We investigated the possible influences

PTR-MS analysis of reference and plant-emitted volatile organic compounds

Science.gov (United States)

Maleknia, Simin D.; Bell, Tina L.; Adams, Mark A.

2007-05-01

Proton transfer reaction-mass spectrometry (PTR-MS) was applied to the analysis of a series of volatile organic compounds (VOCs) that emit from various plants. These include a group of alcohols (methanol, ethanol and butanol), carbonyl-containing compounds (acetic acid, acetone and benzaldehyde), isoprene, acetonitrile, tetrahydrofuran (THF), pyrazine, toluene and xylene and a series of terpenes (p-cymene, camphene, 2-carene, limonene, [beta]-myrcene, [alpha]-pinene, [beta]-pinene, [gamma]-tepinene and terpinolene) and oxygen-containing terpenes (1,8-cineole and linalool). These mass spectral data were compared to an electron ionization (EI) database identifying that not all PTR-MS fragments were common to EI. PTR-MS studies of these reference compounds were utilized to identify VOCs emitted from Eucalyptus grandis leaf at a temperature range of 30-100 °C. In addition to protonated molecules (M + H)+, abundant proton-bound dimers or trimers were detected for alcohols, acetone, acetonitrile and THF. Abundant fragment ions attributed to the loss of water from these proton-bound clusters were also observed. The stability of butyl (C4H9+ m/z 57) and acetyl (CH3CO+ m/z 43) fragment ions directed the proton-transfer reactions of butanol and acetic acid. Abundant (M + H)+ ions were detected for pyrazine, THF, toluene and xylene, as well as for all terpenes except those containing oxygen. For linalool and 1,8-cineole, the loss of water generated an abundant fragment ion at m/z 137. PTR-MS fragmentation patterns for terpenes were proposed for m/z 81 (C6H9+), 93 (C7H9+), 95 (C7H11+), 107 (C8H11+), 109 (C8H13+), 119 (C9H11+), 121 (C9H13+) and 137 (loss of water for oxygen-containing terpenes; C10H17+). The relative abundances of (M + H)+ and fragments for all terpenes (except linalool) were dependent on the drift tube voltage and the optimum voltage for detection of molecular ions was different for various terpenes.

Measurements of oxygenated volatile organic compounds in the oil sands region of Alberta

Science.gov (United States)

Moussa, S. G.; Leithead, A.; Li, S. M.; Gordon, M.; Hayden, K. L.; Wang, D. K.; Staebler, R. M.; Liu, P.; O'Brien, J.; Mittermeier, R.; Liggio, J.

2014-12-01

Oxygenated volatile organic compounds (OVOCs) are ubiquitous in the atmosphere, and represent an important fraction of volatile organic compounds. Additionally some OVOC species may pose health risks. OVOCs can affect the oxidative and radiative budget of the atmosphere since they are precursors to ground level ozone, hydroxyl radicals and secondary organic aerosols (SOA). OVOCs such as methanol, formaldehyde, acetaldehyde, acetone, crotonaldehyde, methylvinylketone (MVK), methylethylketone (MEK) and acrolein can be emitted from anthropogenic and biogenic sources. Additionally, they are the secondary products of the photo-oxidation of hydrocarbons (biogenic and anthropogenic). Understanding the magnitude of these sources is a prerequisite for accurate representations of radical cycling, ozone production and SOA formation in air quality models. The sources of OVOCs in the Alberta Oil Sands (OS) region have not previously been well characterized. In the summer of 2013, airborne measurements of various OVOCs were made in the Athabasca oil sands region between August 13 and September 7, 2013. Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-ToF-MS) was used to measure methanol, formaldehyde, acetaldehyde, acetone, crotonaldehyde, MVK, MEK, acrolein as well as other hydrocarbons. Emission ratios (ER) for several OVOCs (relative to carbon monoxide; CO) were used to estimate direct anthropogenic emissions from OS industrial sources, while the calculated OH radical exposures were used to estimate the production and removal of secondary anthropogenic OVOCs. The results indicate that OVOCs such as acetaldehyde, crotonaldehyde and MVK have both primary and secondary anthropogenic and biogenic sources. However, species such as methanol and acrolein are from biogenic and anthropogenic sources, respectively. The results of this work will help to characterize sources of OVOCs and the factors influencing their atmospheric fate in the Oil Sands region.

Extraterrestrial Organic Compounds in Meteorites

Science.gov (United States)

Botta, Oliver; Bada, Jeffrey L.; Meyer, Michael (Technical Monitor)

2003-01-01

Many organic compounds or their precursors found in meteorites originated in the interstellar or circumstellar medium and were later incorporated into planetesimals during the formation of the solar system. There they either survived intact or underwent further processing to synthesize secondary products on the meteorite parent body. The most distinct feature of CI and CM carbonaceous chondrites, two types of stony meteorites, is their high carbon content (up to 3% of weight), either in the form of carbonates or of organic compounds. The bulk of the organic carbon consists of an insoluble macromolecular material with a complex structure. Also present is a soluble organic fraction, which has been analyzed by several separation and analytical procedures. Low detection limits can be achieved by derivatization of the organic molecules with reagents that allow for analysis by gas chromatography/mass spectroscopy and high performance liquid chromatography. The CM meteorite Murchison has been found to contain more than 70 extraterrestrial amino acids and several other classes of compounds including carboxylic acids, hydroxy carboxylic acids, sulphonic and phosphonic acids, aliphatic, aromatic and polar hydrocarbons, fullerenes, heterocycles as well as carbonyl compounds, alcohols, amines and amides. The organic matter was found to be enriched in deuterium, and distinct organic compounds show isotopic enrichments of carbon and nitrogen relative to terrestrial matter.

Biogenic, urban, and wildfire influences on the molecular composition of dissolved organic compounds in cloud water

Science.gov (United States)

Cook, Ryan D.; Lin, Ying-Hsuan; Peng, Zhuoyu; Boone, Eric; Chu, Rosalie K.; Dukett, James E.; Gunsch, Matthew J.; Zhang, Wuliang; Tolic, Nikola; Laskin, Alexander; Pratt, Kerri A.

2017-12-01

Organic aerosol formation and transformation occurs within aqueous aerosol and cloud droplets, yet little is known about the composition of high molecular weight organic compounds in cloud water. Cloud water samples collected at Whiteface Mountain, New York, during August-September 2014 were analyzed by ultra-high-resolution mass spectrometry to investigate the molecular composition of dissolved organic carbon, with a focus on sulfur- and nitrogen-containing compounds. Organic molecular composition was evaluated in the context of cloud water inorganic ion concentrations, pH, and total organic carbon concentrations to gain insights into the sources and aqueous-phase processes of the observed high molecular weight organic compounds. Cloud water acidity was positively correlated with the average oxygen : carbon ratio of the organic constituents, suggesting the possibility for aqueous acid-catalyzed (prior to cloud droplet activation or during/after cloud droplet evaporation) and/or radical (within cloud droplets) oxidation processes. Many tracer compounds recently identified in laboratory studies of bulk aqueous-phase reactions were identified in the cloud water. Organosulfate compounds, with both biogenic and anthropogenic volatile organic compound precursors, were detected for cloud water samples influenced by air masses that had traveled over forested and populated areas. Oxidation products of long-chain (C10-12) alkane precursors were detected during urban influence. Influence of Canadian wildfires resulted in increased numbers of identified sulfur-containing compounds and oligomeric species, including those formed through aqueous-phase reactions involving methylglyoxal. Light-absorbing aqueous-phase products of syringol and guaiacol oxidation were observed in the wildfire-influenced samples, and dinitroaromatic compounds were observed in all cloud water samples (wildfire, biogenic, and urban-influenced). Overall, the cloud water molecular composition depended on

Behaviour of organic sulfur compounds in HPLC

International Nuclear Information System (INIS)

Freyholdt, T.

1982-01-01

The retention behaviour of organic sulfur compounds in the reverse-bonded-phase chromatography is characterized by determining the retention indices according to Kovats. The results of these studies show that the solubility of organic compounds in the eluting agent and the molar sorption surfaces of the solutes are the main factors determining the retention behaviour. Knowledge of the retention indices of above-mentioned compounds allows a quick interpretation of chromatograms obtained through a product analysis of γ-irradiated aqueous solutions of organic sulfur compounds. Dithia compounds of the type CH 3 -S-(CH 2 )sub(n)-S-Ch 3 (1 1. 2,4-Dithiapentane (n = 1) however will yield primarily monothio-S-methyl formate as a stable end product. The formation of oxygenic reaction products proceeds via sulfur-centred radical kations. Spin trapping experiments with nitroxyl radicals show that it is possible to trap radiation-chemically produced radicals of sulfurous substrates, but the thus obtained adducts with half-life periods of 4-5 min. cannot be identified by means of NMR, IR or mass spectroscopy. (orig.) [de

[Distribution and sources of oxygen and sulfur heterocyclic aromatic compounds in surface soil of Beijing, China].

Science.gov (United States)

He, Guang-Xiu; Zhang, Zhi-Huan; Peng, Xu-Yang; Zhu, Lei; Lu, Ling

2011-11-01

62 surface soil samples were collected from different environmental function zones in Beijing. Sulfur and oxygen heterocyclic aromatic compounds were detected by GC/MS. The objectives of this study were to identify the composition and distribution of these compounds, and discuss their sources. The results showed that the oxygen and sulfur heterocyclic aromatic compounds in the surface soils mainly contained dibenzofuran, methyl- and C2-dibenzofuran series, dibenzothiophene, methyl-, C2- and C3-dibenzothiophene series and benzonaphthothiophene series. The composition and distribution of the oxygen and sulfur heterocyclic aromatic compounds in the surface soil samples varied in the different environmental function zones, of which some factories and the urban area received oxygen and sulfur heterocyclic aromatic compounds most seriously. In Beijing, the degree of contamination by oxygen and sulfur heterocyclic aromatic compounds in the north surface soil was higher than that in the south. There were preferable linear correlations between the concentration of dibenzofuran series and fluorene series, as well as the concentration of dibenzothiophene series and dibenzofuran series. The oxygen and sulfur heterocyclic aromatic compounds in the surface soil were mainly derived from combustion products of oil and coal and direct input of mineral oil, etc. There were some variations in pollution sources of different environmental function zones.

Airshed calculation of the sensitivity of pollutant formation to organic compound classes and oxygenates associated with alternative fuels

International Nuclear Information System (INIS)

McNair, L.; Russell, A.; Odman, M.T.

1992-01-01

This study uses a 3-D Eulerian photochemical model and an advanced chemical reaction mechanism to evaluate the sensitivity of pollutant levels to changes in emissions. In particular, the ozone forming potentials of classes of organic compounds are calculated, with particular emphasis on oxygenated organics associated with alternative fuels. Methanol, ethanol, MTBE, alkane and toluene emissions were found to add about one-fifth the ozone (on a carbon mass basis) as alkenes, aldehydes, non-toluene aromatics and ethene. On a per-carbon basis, formaldehyde added about ten times as much ozone as the least reactive organics tested. The results of the trajectory model-based study usually compare well with those found here. The pollution formation potentials can now be used in assessing the relative impact of various exhaust gas compositions

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.

Influence of crystal defects on the chemical reactivity of recoil atoms in oxygen-containing chromium compounds

International Nuclear Information System (INIS)

Costea, T.

1969-01-01

The influence of crystal defects on the chemical reactivity of recoil atoms produced by the reaction 50 Cr (n,γ) 51 Cr in oxygen-containing chromium compounds has been studied. Three methods have been used to introduce the defects: doping (K 2 CrO 4 doped with BaCrO 4 ), irradiation by ionizing radiation (K 2 CrO 4 irradiated in the presence of Li 2 CO 3 ) and non-stoichiometry (the semi-conducting oxides of the CrO 3 -Cr 2 O 3 series). The thermal annealing kinetics of the irradiated samples have been determined, and the activation energy has been calculated. In all cases it has been observed that there is a decrease in the activation energy for thermal annealing in the presence of the defects. In order to explain the annealing process, an electronic mechanism has been proposed based on the interaction between the recoil species and the charge-carriers (holes or electrons). (author) [fr

Transformation of saturated nitrogen-containing heterocyclic compounds by microorganisms.

Science.gov (United States)

Parshikov, Igor A; Silva, Eliane O; Furtado, Niege A J C

2014-02-01

The saturated nitrogen-containing heterocyclic compounds include many drugs and compounds that may be used as synthons for the synthesis of other pharmacologically active substances. The need for new derivatives of saturated nitrogen-containing heterocycles for organic synthesis, biotechnology and the pharmaceutical industry, including optically active derivatives, has increased interest in microbial synthesis. This review provides an overview of microbial technologies that can be valuable to produce new derivatives of saturated nitrogen-containing heterocycles, including hydroxylated derivatives. The chemo-, regio- and enantioselectivity of microbial processes can be indispensable for the synthesis of new compounds. Microbial processes carried out with fungi, including Beauveria bassiana, Cunninghamella verticillata, Penicillium simplicissimum, Aspergillus niger and Saccharomyces cerevisiae, and bacteria, including Pseudomonas sp., Sphingomonas sp. and Rhodococcus erythropolis, biotransform many substrates efficiently. Among the biological activities of saturated nitrogen-containing heterocyclic compounds are antimicrobial, antitumor, antihypertensive and anti-HIV activities; some derivatives are effective for the treatment and prevention of malaria and trypanosomiasis, and others are potent glycosidase inhibitors.

Biodegradation of Various Aromatic Compounds by Enriched Bacterial Cultures: Part B--Nitrogen-, Sulfur-, and Oxygen-Containing Heterocyclic Aromatic Compounds.

Science.gov (United States)

Oberoi, Akashdeep Singh; Philip, Ligy; Bhallamudi, S Murty

2015-07-01

Present study focused on the biodegradation of various heterocyclic nitrogen, sulfur, and oxygen (NSO) compounds using naphthalene-enriched culture. Target compounds in the study were pyridine, quinoline, benzothiophene, and benzofuran. Screening studies were carried out using different microbial consortia enriched with specific polycyclic aromatic hydrocarbon (PAH) and NSO compounds. Among different microbial consortia, naphthalene-enriched culture was the most efficient consortium based on high substrate degradation rate. Substrate degradation rate with naphthalene-enriched culture followed the order pyridine > quinoline > benzofuran > benzothiophene. Benzothiophene and benzofuran were found to be highly recalcitrant pollutants. Benzothiophene could not be biodegraded when concentration was above 50 mg/l. It was observed that 2-(1H)-quinolinone, benzothiophene-2-one, and benzofuran-2,3-dione were formed as metabolic intermediates during biodegradation of quinoline, benzothiophene, and benzofuran, respectively. Quinoline-N and pyridine-N were transformed into free ammonium ions during the biodegradation process. Biodegradation pathways for various NSO compounds are proposed. Monod inhibition model was able to simulate single substrate biodegradation kinetics satisfactorily. Benzothiophene and benzofuran biodegradation kinetics, in presence of acetone, was simulated using a generalized multi-substrate model.

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

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.

Removal of sulfur compounds from diesel using ArF laser and oxygen.

Science.gov (United States)

Gondal, M A; Siddiqui, M N; Al-Hooshani, K

2013-01-01

A laser-based technique for deep desulfurization of diesel and other hydrocarbon fuels by removal of dimethyldibenzothiophene (DMDBT), a persistent sulfur contaminant in fuel oils has been developed. We report a selective laser excitation of DMDBT in diesel and model compounds such as n-hexane in a reaction chamber under oxygen environment where oxidative reactions can take place. ArF laser emitting at 193 nm was employed for excitation of oxygen and DMDBT, while for process optimization, the laser energy was varied from 50 to 200 mJ/cm(2). The laser-irradiated DMDBT solution under continuous oxygen flow was analyzed by UV absorption spectrometer to determine the photochemical oxidative degradation of DMDBT. In just 5 min of laser irradiation time, almost 95% DMDBT was depleted in a diesel containing 200 ppm of DMDBT. This article provides a new method for the removal of sulfur compounds from diesel by laser based photochemical process.

Radiolytic formation of organic iodides from organic compounds released from ripolin paint

International Nuclear Information System (INIS)

Attia, S.; Evans, G.J.

2002-01-01

The impact of a serious nuclear reactor accident is governed to a large extent by the possible release of airborne organic iodides to the environment. This research examines the identification and behavior of organic iodides formed in the containment due to the release of organic compounds from Ripolin paint, into the aqueous phase, following a nuclear reactor accident. A bench scale apparatus installed in the irradiation chamber of a Gammacell was used to analyze the formation of organic iodides. Iodo-organics, transferred to the gas phase above irradiated aqueous samples, were analyzed using a Thermal Desorption method coupled with gas chromatography and mass spectrometry. Detailed studies of the identity of the organic compounds released and the organic iodides formed were conducted. The effects of parameters such as irradiation dose were also examined. All the organic iodides formed, under radiolytic conditions, were identified as iodo-alkanes. The organic compounds that were released from the Ripolin paint, such as methyl isobutyl ketone, were found to decompose, by a series of reactions, to produce the organic iodides. The precursor organic compounds and the organic iodides formed were observed to consist of the same alkyl group. These results indicate that organic compounds released from surface paints directly influence the formation of radiolytic organic iodide. (author)

From biomass to fuels: hydrotreating of oxygen-containing feeds on a CoMo/Al{sub 2}O{sub 3} hydrodesulfurization catalyst

Energy Technology Data Exchange (ETDEWEB)

Viljava, T.-R.

2001-07-01

Biomass is a renewable alternative to fossil raw materials in the production of liquid fuels and chemicals. Liquefied biomass contains an abundance of oxygen-containing molecules that need to be removed to improve the stability of the liquids. A hydrotreating process, hydrodeoxygenation (HDO), is used for the purpose. Hydrodeoxygenation is similar to the hydrodesulfurization (HDS) process used in oil refining, relying upon a presulfided CoMo/{gamma}-Al{sub 2}O{sub 2}; catalyst. The stability of the sulfided catalyst is critical in HDO because biocrudes usually do not contain the sulfur compounds needed to maintain the sulfidation of the catalyst. The aim of this work was to examine the role of sulfur in maintaining the activity of the HDO catalyst. Sulfur was introduced as an organic sulfur-containing co-reactant or as a sulfur substituent in an oxygen-containing reactant molecule as a way of simulating mixed feeds composed of biocrudes and conventional crudes, or it was introduced as a low molecular weight sulfiding agent. In addition, the stability of the sulfided catalyst against changes in the feed composition was studied to find out whether the activity of the catalyst could be maintained by carrying out HDO alternately with HDS. Simultaneous HDO and HDS was studied in a batch reactor with model compounds having a sulfur-containing (inercapto or inethylmercapto) and an oxygen-containing (hydroxyl or inethoxy) substituent in the same molecule, and with binary mixtures of mono-substituted benzene compounds. In both cases, the reactions of the oxygencontaining substituents were strongly suppressed as long as a sulfur-containing functionality was present. HDS reactions of inercapto and inethylinercapto groups were either enhanced or retarded in the presence of oxygen-containing functionality. HDS was enhanced when the oxygen-containing substituent was located in Para-position to the sulfur substituent thereby increasing the electronegativity of the sulfur atom and

Organic hydrogen peroxide-driven low charge potentials for high-performance lithium-oxygen batteries with carbon cathodes

Science.gov (United States)

Wu, Shichao; Qiao, Yu; Yang, Sixie; Ishida, Masayoshi; He, Ping; Zhou, Haoshen

2017-06-01

Reducing the high charge potential is a crucial concern in advancing the performance of lithium-oxygen batteries. Here, for water-containing lithium-oxygen batteries with lithium hydroxide products, we find that a hydrogen peroxide aqueous solution added in the electrolyte can effectively promote the decomposition of lithium hydroxide compounds at the ultralow charge potential on a catalyst-free Ketjen Black-based cathode. Furthermore, for non-aqueous lithium-oxygen batteries with lithium peroxide products, we introduce a urea hydrogen peroxide, chelating hydrogen peroxide without any water in the organic, as an electrolyte additive in lithium-oxygen batteries with a lithium metal anode and succeed in the realization of the low charge potential of ~3.26 V, which is among the best levels reported. In addition, the undesired water generally accompanying hydrogen peroxide solutions is circumvented to protect the lithium metal anode and ensure good battery cycling stability. Our results should provide illuminating insights into approaches to enhancing lithium-oxygen batteries.

Activation energies for iodine-exchange systems containing organic iodine compounds

Energy Technology Data Exchange (ETDEWEB)

Ikeda, N. (Takyo Univ. of Education (Japan). Faculty of Science) Takahashi, Yasuko

1976-01-01

In studies on the nonequilibrium isotopic exchange method for determining iodine in organic iodine compounds, activation energies have been measured to find systems having appropriate rate of exchange reactions. Activation energies are discussed by considering the effect of the structure of organic iodine compounds, the concentrations of reactants and solvent, etc. In homogeneous systems, activation energy is found to become larger in the order of CH/sub 3/Iorganic iodine is a predominant factor in determining the rate of the exchange reaction.

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.

Copper-catalyzed oxidative desulfurization-oxygenation of thiocarbonyl compounds using molecular oxygen: an efficient method for the preparation of oxygen isotopically labeled carbonyl compounds.

Science.gov (United States)

Shibahara, Fumitoshi; Suenami, Aiko; Yoshida, Atsunori; Murai, Toshiaki

2007-06-21

A novel copper-catalyzed oxidative desulfurization reaction of thiocarbonyl compounds, using molecular oxygen as an oxidant and leading to formation of carbonyl compounds, has been developed, and the utility of the process is demonstrated by its application to the preparation of a carbonyl-18O labeled sialic acid derivative.

Radiation Treatment of Wastewater Containing Pharmaceutical Compounds

International Nuclear Information System (INIS)

Takács, E.; Wojnárovits, L.; Homlok, R.; Illés, E.; Csay, T.; Szabó, L.; Rácz, G.

2012-01-01

High-energy ionizing radiation induced degradation of maleic acid, fumaric acid and 20 aromatic molecules was investigated in air saturated aqueous solutions. Hydroxyl radicals were generated water radiolysis. The decomposition was followed by chemical oxygen demand (COD) and total organic carbon content (TOC) measurements. Up to ∼50% decrease of COD the dose dependence was linear. By the ratio of the decrease of COD and the amount of reactive radiolysis intermediates introduced into the solution the oxidation efficiencies were calculated. Efficiencies around 0.5-1 (O 2 molecule built in products/OH) found for most of the compounds show that the one-electron-oxidant OH induces 2-4 electron oxidations. The high oxidation rates were explained by OH addition to unsaturated bonds and subsequent reactions of the dissolved O 2 with organic radicals. In amino substituted molecules or in Acid Red 1 azo dye, O 2 cannot compete efficiently with the unimolecular transformation of organic radicals and the efficiency is lower (0.2-0.5). (author)

Hydrodeoxygenation of O-containing polycyclic model compounds using a novel organometallic catalyst-precursor

Energy Technology Data Exchange (ETDEWEB)

Kirby, S.R.; Song, C.S.; Schobert, H.H. [Pennsylvania State University, University Park, PA (United States). Dept. of Materials Science and Engineering

1996-09-05

Compounds containing oxygen functional groups, especially phenols, are undesirable components of coal-derived liquids. Removal of these compounds from the products of coal liquefaction is required. A beneficial alternative would be the removal of these compounds, or the prevention of their formation, during the liquefaction reaction itself, rather than as a separate processing step. A novel organometallic catalyst precursor containing Co and Mo has been studied as a potential hydrogenation catalyst for coal liquefaction. To ascertain the hydrodeoxygenation activity of this catalyst under liquefaction conditions, model compounds were investigated. Anthrone, 2,6-di-r-btuyl-4-methyl-phenol, dinaphthyl ether and xanthene were reacted in the presence of the Co-Mo catalyst precursor and a precursor containing only Mo over a range of temperatures, providing a comparison of conversions to deoxygenated products. These conversions give an indication of the hydrodeoxygenating abilities of organometallic catalyst precursors within a coal liquefaction system. For example, at 400{degree}C dinaphthyl ether was converted 100% (4.5% O-containing products) in the presence of the Co-Mo organometallic precursor, compared to 76.5% conversion (7.4% O-products) in the presence of the Mo catalyst.

Prebiotic Synthesis of Methionine and Other Sulfur-Containing Organic Compounds on the Primitive Earth: A Contemporary Reassessment Based on an Unpublished 1958 Stanley Miller Experiment

Science.gov (United States)

Parker, Eric T.; Cleaves, H. James; Callahan, Michael P.; Dworkin, Jason P.; Glavin, Daniel P.; Lazcano, Antonio

2010-01-01

Original extracts from an unpublished 1958 experiment conducted by the late Stanley L. Miller were recently found and analyzed using modern state-of-the-art analytical methods. The extracts were produced by the action of an electric discharge on a mixture of methane (CH4), hydrogen sulfide (H2S), ammonia (NH3), and carbon dioxide (CO2). Racemic methionine was farmed in significant yields, together with other sulfur-bearing organic compounds. The formation of methionine and other compounds from a model prebiotic atmosphere that contained H2S suggests that this type of synthesis is robust under reducing conditions, which may have existed either in the global primitive atmosphere or in localized volcanic environments on the early Earth. The presence of a wide array of sulfur-containing organic compounds produced by the decomposition of methionine and cysteine indicates that in addition to abiotic synthetic processes, degradation of organic compounds on the primordial Earth could have been important in diversifying the inventory of molecules of biochemical significance not readily formed from other abiotic reactions, or derived from extraterrestrial delivery.

The effect of oxygen impurity on the electronic and optical properties of calcium, strontium and barium chalcogenide compounds

International Nuclear Information System (INIS)

Dadsetani, M.; Beiranvand, R.

2010-01-01

Electronic and optical properties of calcium, strontium and barium chalcogenide compounds in NaCl structure are studied using the band structure results obtained through the full potential linearized augmented palne wave method. Different linear relationships are observed between theoretical band gap and 1/a 2 (where a is lattice constant) for calcium, strontium and barium chalcogenide compounds with and without oxygen, respectively. An abnormal behavior of electronic and optical properties are found for compounds containing oxygen. These effects are ascribed to the special properties of Ca-O, Sr-O and Ba-O bonds, which are different from chemical bonds between Ca, Sr and Ba and other chalcogen atoms.

Radiation Treatment of Wastewater Containing Pharmaceutical Compounds

Energy Technology Data Exchange (ETDEWEB)

Takács, E.; Wojnárovits, L.; Homlok, R.; Illés, E.; Csay, T.; Szabó, L.; Rácz, G. [Centre for Energy Research, Institute of Isotopes, Hungarian Academy of Sciences, Budapest (Hungary)

2012-07-01

High-energy ionizing radiation induced degradation of maleic acid, fumaric acid and 20 aromatic molecules was investigated in air saturated aqueous solutions. Hydroxyl radicals were generated water radiolysis. The decomposition was followed by chemical oxygen demand (COD) and total organic carbon content (TOC) measurements. Up to ∼50% decrease of COD the dose dependence was linear. By the ratio of the decrease of COD and the amount of reactive radiolysis intermediates introduced into the solution the oxidation efficiencies were calculated. Efficiencies around 0.5-1 (O{sub 2} molecule built in products/OH) found for most of the compounds show that the one-electron-oxidant OH induces 2-4 electron oxidations. The high oxidation rates were explained by OH addition to unsaturated bonds and subsequent reactions of the dissolved O{sub 2} with organic radicals. In amino substituted molecules or in Acid Red 1 azo dye, O{sub 2} cannot compete efficiently with the unimolecular transformation of organic radicals and the efficiency is lower (0.2-0.5). (author)

Organic waste process containing at least one radioactive element

International Nuclear Information System (INIS)

Le Roy, F.

1977-01-01

The description is given of an organic waste process containing at least one element from the group comprising strontium, cesium, iodine and ruthenium. It comprises the introduction of the organic waste and gaseous oxygen in a bath of melted salt containing an alkaline carbonate, the bath being maintained at a high temperature between 400 and 1000 0 C and at a pressure of 0.5 to 10 bars, so that the organic waste is burnt and oxidised at least partly, the element selected being retained by the bath of melted salt [fr

Chemical protection of bacteria and cultured mammalian cells by sulfur--containing compounds

Energy Technology Data Exchange (ETDEWEB)

Antoku, S [Hiroshima Univ. (Japan). Research Inst. for Nuclear Medicine and Biology

1975-03-01

Protection by sulfur-containing compounds was studied using bacteria E. coli Bsub(H) and cultured mouse leukemic cells, L 5178 Y. The protective mechanisms are discussed. The dose reduction factors of non-sulfhydryl compounds observed in the bacteria were the same as those observed in mammalian cells, and the protective activity of these compounds was proportional to their reaction rates with hydroxyl radicals. On the other hand, sulfhydryl compounds, with the exception of glutathione, offered a much greater protection than was anticipated from their radical scavenging activity. From studies under anoxia, the protection of cysteine was explained by its OH scavenging and competition with oxygen. In addition, for MEA, protection against the direct action of radiation was suggested. This was supported by the significant protection in the frozen state.

Artificial oxygen transport protein

Science.gov (United States)

Dutton, P. Leslie

2014-09-30

This invention provides heme-containing peptides capable of binding molecular oxygen at room temperature. These compounds may be useful in the absorption of molecular oxygen from molecular oxygen-containing atmospheres. Also included in the invention are methods for treating an oxygen transport deficiency in a mammal.

Comparative analysis of quasi-linear spectra of organic boron compounds and their heterocyclic and aromatic analogs

International Nuclear Information System (INIS)

Klimova, L.A.; Volkova, V.P.; Kugemova, M.E.; Mikhajlov, B.M.

1976-01-01

Quasiline absorption and luminescence spectra of polycyclic compounds containing boron, nitrogen, or oxygen atoms have been obtained and studied for the first time. Electron-vibrating spectra of these compounds have been compared with the corresponding spectra of nitrogen- and oxygen-containing heterocycles as well as with spectra of their aromatic analog - phenanthrene. Vibrational analysis of the spectra of all the compounds reveals, within the accuracy limit of measurements, the relative closeness of the vibrational frequencies. However, the great difference between the positions of electron transitions points to a change in π-electron structure of the molecules when heteroatoms are introduced. High sensitivity of the frequency of electron transition to structural changes makes it possible to determine the degree of influence of separate heteroatoms

Rapid NMR method for the quantification of organic compounds in thin stillage.

Science.gov (United States)

Ratanapariyanuch, Kornsulee; Shen, Jianheng; Jia, Yunhua; Tyler, Robert T; Shim, Youn Young; Reaney, Martin J T

2011-10-12

Thin stillage contains organic and inorganic compounds, some of which may be valuable fermentation coproducts. This study describes a thorough analysis of the major solutes present in thin stillage as revealed by NMR and HPLC. The concentration of charged and neutral organic compounds in thin stillage was determined by excitation sculpting NMR methods (double pulse field gradient spin echo). Compounds identified by NMR included isopropanol, ethanol, lactic acid, 1,3-propanediol, acetic acid, succinic acid, glycerophosphorylcholine, betaine, glycerol, and 2-phenylethanol. The concentrations of lactic and acetic acid determined with NMR were comparable to those determined using HPLC. HPLC and NMR were complementary, as more compounds were identified using both methods. NMR analysis revealed that stillage contained the nitrogenous organic compounds betaine and glycerophosphorylcholine, which contributed as much as 24% of the nitrogen present in the stillage. These compounds were not observed by HPLC analysis.

Treating contaminated organic compounds using the DETOX process

International Nuclear Information System (INIS)

Elsberry, K.; Dhooge, P.M.

1993-01-01

Waste matrices containing organic compounds, radionuclides, and metals pose difficult problems in waste treatment and disposal when the organic compounds and/or metals are considered to be hazardous. This paper describes the results of bench-scale studies of DETOX applied to the components of liquid mixed wastes, with the goal of establishing parameters for designing a prototype waste treatment unit. Apparent reaction rate orders for organic compounds and the dependence of apparent reaction rate on solution composition and the contact area were measured for vacuum pump oil, scintillation fluids, and trichloroethylene. Reaction rate was superior in chloride-based solutions and was proportional to the contact area above about 20 g/kg loading of organic material. Oxidations in 4-L volume, mixed bench-top reactor have given destruction efficiencies of 0.999999+ g/g for common organic compounds. Reaction rates achieved in the mixed bench-top reactor were one to two orders of magnitude greater than had been achieved in unmixed reactions; a thoroughly mixed reactor should be capable of oxidizing 10 to 100+ g of organic material per L-hr. Results are also presented on the solvation efficiency of DETOX for mercury, cerium, and neodymium, and for removal/destruction of organic compounds sorbed on vermiculite. The next stage of development will be converting the bench-top unit to continuous processing

Oxygen stabilized rare-earth iron intermetallic compounds

International Nuclear Information System (INIS)

Dariel, M.P.; Malekzadeh, M.; Pickus, M.R.

1975-10-01

A new, oxygen-stabilized intermetallic compound was identified in sintered, pre-alloyed rare-earth iron powder samples. Its composition corresponds to formula R 12 Fe 32 O 2 and its crystal structure belongs to space group Im3m. The presence of these compounds was observed, so far, in several R--Fe--O systems, with R = Gd, Tb, Dy, Ho, Er, and Y

Vitrification of organics-containing wastes

International Nuclear Information System (INIS)

Bickford, D.F.

1997-01-01

A process is described for stabilizing organics-containing waste materials and recovering metals therefrom, and a waste glass product made according to the process is also disclosed. Vitrification of wastes such as organic ion exchange resins, electronic components and the like can be accomplished by mixing at least one transition metal oxide with the wastes, and, if needed, glass formers to compensate for a shortage of silicates or other glass formers in the wastes. The transition metal oxide increases the rate of oxidation of organic materials in the wastes to improve the composition of the glass-forming mixture: at low temperatures, the oxide catalyzes oxidation of a portion of the organics in the waste; at higher temperatures, the oxide dissolves and the resulting oxygen ions oxidize more of the organics; and at vitrification temperatures, the metal ions conduct oxygen into the melt to oxidize the remaining organics. In addition, the transition metal oxide buffers the redox potential of the glass melt so that metals such as Au, Pt, Ag, and Cu separate from the melt in the metallic state and can be recovered. After the metals are recovered, the remainder of the melt is allowed to cool and may subsequently be disposed of. The product has good leaching resistance and can be disposed of in an ordinary landfill, or, alternatively, used as a filler in materials such as concrete, asphalt, brick and tile. 1 fig

Volatile organic compounds and Photobacterium phosphoreum associated with spoilage of modified-atmosphere-packaged raw pork

DEFF Research Database (Denmark)

Nieminen, Timo T.; Dalgaard, Paw; Björkroth, Johanna

2016-01-01

Accumulation of volatile organic compounds was monitored in association with sensory quality, bacterial concentrations and culture-independent microbial community analyses in raw pork loin and pork collar during storage under high-oxygen modified atmosphere at +4°C. Of the 48 volatile compounds...

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.

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 O 2 ), 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 O 2 . In all water samples, cimetidine degraded by reaction with 1 O 2 (>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 O 2 pathways. Finally, compound degradation rate constants normalized to the rate of light absorption by water correlated with E 2 /E 3 ratios

The Use of Flow-Injection Analysis with Chemiluminescence Detection of Aqueous Ferrous Iron in Waters Containing High Concentrations of Organic Compounds

Directory of Open Access Journals (Sweden)

Carrick M. Eggleston

2009-06-01

Full Text Available An evaluation of flow-injection analysis with chemiluminescence detection (FIA-CL to quantify Fe2+(aq in freshwaters was performed. Iron-coordinating and/or iron-reducing compounds, dissolved organic matter (DOM, and samples from two natural water systems were used to amend standard solutions of Fe2+(aq. Slopes of the response curves from ferrous iron standards (1 – 100 nM were compared to the response curves of iron standards containing the amendments. Results suggest that FIA-CL is not suitable for systems containing ascorbate, hydroxylamine, cysteine or DOM. Little or no change in sensitivity occurred in solutions of oxalate and glycine or in natural waters with little organic matter.

Nitrogen, Sulfur, and Oxygen Isotope Ratios of Animal- and Plant-Based Organic Fertilizers Used in South Korea.

Science.gov (United States)

Shin, Woo-Jin; Ryu, Jong-Sik; Mayer, Bernhard; Lee, Kwang-Sik; Kim, Insu

2017-05-01

Organic fertilizers are increasingly used in agriculture in Asia and elsewhere. Tracer techniques are desirable to distinguish the fate of nutrients added to agroecosystems with organic fertilizers from those contained in synthetic fertilizers. Therefore, we determined the nitrogen, sulfur, and oxygen isotope ratios of nitrogen- and sulfur-bearing compounds in animal- and plant-based organic fertilizers (ABOF and PBOF, respectively) used in South Korea to evaluate whether they are isotopically distinct. The δN values of total and organic nitrogen for ABOF ranged from +7 to +19‰ and were higher than those of PBOF (generally fertilizer compounds in the plant-soil-water system, whereas PBOFs have similar δN values to synthetic fertilizers. However, δO values for nitrate (δO) from organic fertilizer samples (fertilizers. The δS values of total sulfur, organic sulfur compounds (e.g., carbon-bonded sulfur and hydriodic acid-reducible sulfur), and sulfate for ABOFs yielded wide and overlapping ranges of +0.3 to +6.3, +0.9 to +7.2, and -2.6 to +14.2‰, whereas those for PBOFs varied from -3.4 to +7.7, +1.4 to +9.4, and -4.1 to +12.5‰, respectively, making it challenging to distinguish the fate of sulfur compounds from ABOF and PBOF in the environment using sulfur isotopes. We conclude that the δN values of ABOFs and the O values of organic fertilizers are distinct from those of synthetic fertilizers and are a promising tool for tracing the fate of nutrients added by organic fertilizers to agroecosystems. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Non-classical structures of organic compounds: unusual stereochemistry and hypercoordination

International Nuclear Information System (INIS)

Minkin, Vladimir I; Minyaev, Ruslan M; Hoffmann, Roald

2002-01-01

Non-classical structures of organic compounds are defined as molecules containing non-tetrahedral tetracoordinate and/or hypercoordinate carbon atoms. The evolution of the views on this subject is considered and the accumulated theoretical and experimental data on the structures and dynamic transformations of non-classical organic compounds are systematised. It is shown that computational analysis using the methods and the software potential of modern quantum chemistry has now acquired high predictive capacity and is the most important source of data on the structures of non-classical compounds. The bibliography includes 227 references.

Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials.

Science.gov (United States)

Qi, Xuejun; Song, Wenwu; Shi, Jianwei

2017-01-01

Density functional theory was used to study the effects of different types of oxygen-containing functional groups on the adsorption of oxygen molecules and single active oxygen atoms on carbonaceous materials. During gasification or combustion reactions of carbonaceous materials, oxygen-containing functional groups such as hydroxyl(-OH), carbonyl(-CO), quinone(-O), and carboxyl(-COOH) are often present on the edge of graphite and can affect graphite's chemical properties. When oxygen-containing functional groups appear on a graphite surface, the oxygen molecules are strongly adsorbed onto the surface to form a four-member ring structure. At the same time, the O-O bond is greatly weakened and easily broken. The adsorption energy value indicates that the adsorption of oxygen molecules changes from physisorption to chemisorption for oxygen-containing functional groups on the edge of a graphite surface. In addition, our results indicate that the adsorption energy depends on the type of oxygen-containing functional group. When a single active oxygen atom is adsorbed on the bridge site of graphite, it gives rise to a stable epoxy structure. Epoxy can cause deformation of the graphite lattice due to the transition of graphite from sp2 to sp3 after the addition of an oxygen atom. For quinone group on the edge of graphite, oxygen atoms react with carbon atoms to form the precursor of CO2. Similarly, the single active oxygen atoms of carbonyl groups can interact with edge carbon atoms to form the precursor of CO2. The results show that oxygen-containing functional groups on graphite surfaces enhance the activity of graphite, which promotes adsorption on the graphite surface.

Charge-density matching in organic-inorganic uranyl compounds

International Nuclear Information System (INIS)

Krivovichev, S.V.; Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F.

2007-01-01

Single crystals of [C 10 H 26 N 2 ][(UO 2 )(SeO 4 ) 2 (H 2 O)](H 2 SeO 4 ) 0.85 (H 2 O) 2 (1), [C 10 H 26 N 2 ][(UO 2 )(SeO 4 ) 2 ] (H 2 SeO 4 ) 0.50 (H 2 O) (2), and [C 8 H 20 N] 2 [(UO 2 )(SeO 4 ) 2 (H 2 O)] (H 2 O) (3) were prepared by evaporation from aqueous solution of uranyl nitrate, selenic acid and the respective amines. The structures of the compounds have been solved by direct methods and structural models have been obtained. The structures of the compounds 1, 2, and 3 contain U and Se atoms in pentagonal bipyramidal and tetrahedral coordinations, respectively. The UO 7 and SeO 4 polyhedra polymerize by sharing common O atoms to form chains (compound 1) or sheets (compounds 2 and 3). In the structure of 1, the layers consisting of hydrogen-bonded [UO 2 (SeO 4 ) 2 (H 2 O)] 2- chains are separated by mixed organic-inorganic layers comprising from [NH 3 (CH 2 ) 10 NH 3 ] 2+ molecules, H 2 O molecules, and disordered electroneutral (H 2 SeO 4 ) groups. The structure of 2 has a similar architecture but a purely inorganic layer is represented by a fully connected [UO 2 (SeO 4 ) 2 ] 2- sheet. The structure of 3 does not contain disordered (H 2 SeO 4 ) groups but is based upon alternating [UO 2 (SeO 4 ) 2 (H 2 O)] 2- sheets and 1.5-nm-thick organic blocks consisting of positively charged protonated octylamine molecules, [NH 3 (CH 2 ) 7 CH 3 ] + . The structures may be considered as composed of anionic inorganic sheets (2D blocks) and cationic organic blocks self-organized according to competing hydrophilic-hydrophobic interactions. Analysis of the structures allows us to conclude that the charge-density matching principle is observed in uranyl compounds. In order to satisfy some basic peculiarities of uranyl (in general, actinyl) chemistry, it requires specific additional mechanisms: (a) in long-chain-amine-templated compounds, protonated amine molecules inter-digitate; (b) in long-chain-diamine-templated compounds, incorporation of acid-water interlayers into

Radical fragmentation of six-membered oxygen-containing heterocycles

International Nuclear Information System (INIS)

Petryaev, E.P.; Kosobutskij, V.S.; Shadyro, O.I.

1982-01-01

Using chromatography, the composition and radiation-chemical yields of final products of desctruction of six-member saturated oxygen-containing heterocycles (the effect of #betta#-radiation on aqueous solutions of tetrahydropyran, 1,3-dioxane, 2,2 dimethyl-1,3 dioxane, 1,4-dioxane, paraldehyde) have been determined. It is established that the identified products are formed at the expense of decomposition of primary radicals of the initial compounds and point to the realization of the following fragmentation ways: 1) #betta#-scattering, 2) #betta#-scattering with a subsequent 1,5 migration of an H atom, 3) simultaneous rupture of two vicinal, relative to the radical center, bonds. A formation mechanism of the substances desctruction products is suggested. Material balance of the product yields of 1,3-dioxane radical synchronous decomposition is presented

Evolution of interstellar organic compounds under asteroidal hydrothermal conditions

Science.gov (United States)

Vinogradoff, V.; Bernard, S.; Le Guillou, C.; Remusat, L.

2018-05-01

Carbonaceous chondrites (CC) contain a diversity of organic compounds. No definitive evidence for a genetic relationship between these complex organic molecules and the simple organic molecules detected in the interstellar medium (ISM) has yet been reported. One of the many difficulties arises from the transformations of organic compounds during accretion and hydrothermal alteration on asteroids. Here, we report results of hydrothermal alteration experiments conducted on a common constituent of interstellar ice analogs, Hexamethylenetetramine (HMT - C6H12N4). We submitted HMT to asteroidal hydrothermal conditions at 150 °C, for various durations (up to 31 days) and under alkaline pH. Organic products were characterized by gas chromatography mass spectrometry, infrared spectroscopy and synchrotron-based X-ray absorption near edge structure spectroscopy. Results show that, within a few days, HMT has evolved into (1) a very diverse suite of soluble compounds dominated by N-bearing aromatic compounds (> 150 species after 31 days), including for instance formamide, pyridine, pyrrole and their polymers (2) an aromatic and N-rich insoluble material that forms after only 7 days of experiment and then remains stable through time. The reaction pathways leading to the soluble compounds likely include HMT dissociation, formose and Maillard-type reactions, e.g. reactions of sugar derivatives with amines. The present study demonstrates that, if interstellar organic compounds such as HMT had been accreted by chondrite parent bodies, they would have undergone chemical transformations during hydrothermal alteration, potentially leading to the formation of high molecular weight insoluble organic molecules. Some of the diversity of soluble and insoluble organic compounds found in CC may thus result from asteroidal hydrothermal alteration.

Atom-type-based AI topological descriptors: application in structure-boiling point correlations of oxo organic compounds.

Science.gov (United States)

Ren, Biye

2003-01-01

Structure-boiling point relationships are studied for a series of oxo organic compounds by means of multiple linear regression (MLR) analysis. Excellent MLR models based on the recently introduced Xu index and the atom-type-based AI indices are obtained for the two subsets containing respectively 77 ethers and 107 carbonyl compounds and a combined set of 184 oxo compounds. The best models are tested using the leave-one-out cross-validation and an external test set, respectively. The MLR model produces a correlation coefficient of r = 0.9977 and a standard error of s = 3.99 degrees C for the training set of 184 compounds, and r(cv) = 0.9974 and s(cv) = 4.16 degrees C for the cross-validation set, and r(pred) = 0.9949 and s(pred) = 4.38 degrees C for the prediction set of 21 compounds. For the two subsets containing respectively 77 ethers and 107 carbonyl compounds, the quality of the models is further improved. The standard errors are reduced to 3.30 and 3.02 degrees C, respectively. Furthermore, the results obtained from this study indicate that the boiling points of the studied oxo compound dominantly depend on molecular size and also depend on individual atom types, especially oxygen heteroatoms in molecules due to strong polar interactions between molecules. These excellent structure-boiling point models not only provide profound insights into the role of structural features in a molecule but also illustrate the usefulness of these indices in QSPR/QSAR modeling of complex compounds.

Precipitate hydrolysis process for the removal of organic compounds from nuclear waste slurries

Science.gov (United States)

Doherty, J.P.; Marek, J.C.

1987-02-25

A process for removing organic compounds from a nuclear waste slurry comprising reacting a mixture of radioactive waste precipitate slurry and an acid in the presence of a catalytically effective amount of a copper(II) catalyst whereby the organic compounds in the precipitate slurry are hydrolyzed to form volatile organic compounds which are separated from the reacting mixture. The resulting waste slurry, containing less than 10 percent of the original organic compounds, is subsequently blended with high level radioactive sludge land transferred to a vitrification facility for processing into borosilicate glass for long-term storage. 2 figs., 3 tabs.

Evaluation of the performance of high temperature conversion reactors for compound-specific oxygen stable isotope analysis.

Science.gov (United States)

Hitzfeld, Kristina L; Gehre, Matthias; Richnow, Hans-Hermann

2017-05-01

In this study conversion conditions for oxygen gas chromatography high temperature conversion (HTC) isotope ratio mass spectrometry (IRMS) are characterised using qualitative mass spectrometry (IonTrap). It is shown that physical and chemical properties of a given reactor design impact HTC and thus the ability to accurately measure oxygen isotope ratios. Commercially available and custom-built tube-in-tube reactors were used to elucidate (i) by-product formation (carbon dioxide, water, small organic molecules), (ii) 2nd sources of oxygen (leakage, metal oxides, ceramic material), and (iii) required reactor conditions (conditioning, reduction, stability). The suitability of the available HTC approach for compound-specific isotope analysis of oxygen in volatile organic molecules like methyl tert-butyl ether is assessed. Main problems impeding accurate analysis are non-quantitative HTC and significant carbon dioxide by-product formation. An evaluation strategy combining mass spectrometric analysis of HTC products and IRMS 18 O/ 16 O monitoring for future method development is proposed.

Synthesis, characterization and crystal structures of new organic compounds containing cyanoacrylic acid

Czech Academy of Sciences Publication Activity Database

Khalaji, A.D.; Mogheiseh, M.; Eigner, Václav; Dušek, Michal; Chow, T.J.; Maddahi, E.

2015-01-01

Roč. 1098, Oct (2015), s. 318-323 ISSN 0022-2860 R&D Projects: GA ČR(CZ) GA14-03276S Institutional support: RVO:68378271 Keywords : organic compounds * cyanoacrylic acid * single-crystal structure analysis * dye-sensitized solar cells * density functional theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.780, year: 2015

Flame retardant synergism between molybdenum and halogen-containing compounds in unsaturated polyesters. [Smoke suppression

Energy Technology Data Exchange (ETDEWEB)

Skinner, G.A.; Parker, L.E.; Marshall, P.J.

1978-01-01

Oxygen index results for a series of unsaturated polyesters, containing molybdenum oxide and various halogenated compounds, have provided definite evidence for some form of flame retardant synergistic effect between molybdenum and halogen. With the halogenated compounds used, the magnitude of the effect was greater in the presence of bromine but was dependent on the type of compound. When dibromoneopentyl glycol was used as the bromine source, the synergistic effect exhibited by molybdenum oxide was comparable to that shown by antimony oxide. Since molybdenum oxide also acts as a smoke suppressant, it could offer a useful alternative to antimony oxide particularly in the light of probable changes in standards and regulatory control regarding smoke emission. 4 figures, 2 tables.

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

HS-SPME analysis of volatile organic compounds of coniferous needle litter

Science.gov (United States)

Isidorov, V. A.; Vinogorova, V. T.; Rafałowski, K.

The composition of volatile emission of Scots pine ( Pinus sylvestris) and spruce ( Picea exelsa) litter was studied by gas chromatography-mass spectrometry (GC-MS) and samples were collected by solid-phase microextraction (SPME) method. The list of identified compounds includes over 60 organic substances of different classes. It was established that volatile emission contain not only components of essential oils of pine and spruce needles but also a large number of organic compounds which are probably secondary metabolites of litter-decomposing fungi. They include lower carbonyl compounds and alcohols as well as products of terpene dehydration and oxidation. These data show that the processes of litter decomposition are an important source of reactive organic compounds under canopy of coniferous forests.

Evaluation of the persistence of transformation products from ozonation of trace organic compounds - a critical review.

Science.gov (United States)

Hübner, Uwe; von Gunten, Urs; Jekel, Martin

2015-01-01

Ozonation is an efficient treatment system to reduce the concentration of trace organic compounds (TrOCs) from technical aquatic systems such as drinking water, wastewater and industrial water, etc. Although it is well established that ozonation generally improves the removal of organic matter in biological post-treatment, little is known about the biodegradability of individual transformation products resulting from ozonation of TrOCs. This publication provides a qualified assessment of the persistence of ozone-induced transformation products based on a review of published product studies and an evaluation of the biodegradability of transformation products with the biodegradability probability program (BIOWIN) and the University of Minnesota Pathway Prediction System (UM-PPS). The oxidation of TrOCs containing the four major ozone-reactive sites (olefins, amines, aromatics and sulfur-containing compounds) follows well described reaction pathways leading to characteristic transformation products. Assessment of biodegradability revealed a high sensitivity to the formed products and hence the ozone-reactive site present in the target compound. Based on BIOWIN, efficient removal can be expected for products from cleavage of olefin groups and aromatic rings. In contrast, estimations and literature indicate that hydroxylamines and N-oxides, the major products from ozonation of secondary and tertiary amines are not necessarily better removed in biological post-treatment. According to UM-PPS, degradation of these products might even occur via reformation of the corresponding amine. Some product studies with sulfide-containing TrOCs showed a stoichiometric formation of sulfoxides from oxygen transfer reactions. However, conclusions on the fate of transformation products in biological post-treatment cannot be drawn based on BIOWIN and UM-PPS.

Position for determining gas-phase volatile organic compound concentrations in transuranic waste containers. Revision 2

Energy Technology Data Exchange (ETDEWEB)

Connolly, M.J.; Liekhus, K.J. [Lockheed Martin Idaho Technologies Co., Idaho Falls, ID (United States). Idaho National Engineering and Environmental Lab.; Djordjevic, S.M.; Loehr, C.A.; Spangler, L.R. [Benchmark Environmental Corp. (United States)

1998-06-01

In the conditional no-migration determination (NMD) for the test phase of the Waste Isolation Pilot Plant (WIPP), the US Environmental Protection Agency (EPA) imposed certain conditions on the US Department of Energy (DOE) regarding gas phase volatile organic compound (VOC) concentrations in the void space of transuranic (TRU) waste containers. Specifically, the EPA required the DOE to ensure that each waste container has no layer of confinement that contains flammable mixtures of gases or mixtures of gases that could become flammable when mixed with air. The EPA also required that sampling of the headspace of waste containers outside inner layers of confinement be representative of the entire void space of the container. The EPA stated that all layers of confinement in a container would have to be sampled until DOE can demonstrate to the EPA that sampling of all layers is either unnecessary or can be safely reduced. A test program was conducted at the Idaho National Engineering and Environmental Laboratory (INEEL) to demonstrate that the gas phase VOC concentration in the void space of each layer of confinement in vented drums can be estimated from measured drum headspace using a theoretical transport model and that sampling of each layer of confinement is unnecessary. This report summarizes the studies performed in the INEEL test program and extends them for the purpose of developing a methodology for determining gas phase VOC concentrations in both vented and unvented TRU waste containers. The methodology specifies conditions under which waste drum headspace gases can be said to be representative of drum gases as a whole and describes a method for predicting drum concentrations in situations where the headspace concentration is not representative. The methodology addresses the approach for determining the drum VOC gas content for two purposes: operational period drum handling and operational period no-migration calculations.

Position for determining gas phase volatile organic compound concentrations in transuranic waste containers. Revision 1

International Nuclear Information System (INIS)

Connolly, M.J.; Liekhus, K.J.; Djordjevic, S.M.; Loehr, C.A.; Spangler, L.R.

1995-08-01

In the conditional no-migration determination (NMD) for the test phase of the Waste Isolation Pilot Plant (WIPP), the US Environmental Protection Agency (EPA) imposed certain conditions on the US Department of Energy (DOE) regarding gas phase volatile organic compound (VOC) concentrations in the void space of transuranic (TRU) waste containers. Specifically, the EPA required the DOE to ensure that each waste container has no layer of confinement that contains flammable mixtures of gases or mixtures of gases that could become flammable when mixed with air. The EPA also required that sampling of the headspace of waste containers outside inner layers of confinement be representative of the entire void space of the container. The EPA stated that all layers of confinement in a container would have to be sampled until DOE can demonstrate to the EPA that sampling of all layers is either unnecessary or can be safely reduced. A test program was conducted at the Idaho National Engineering Laboratory (INEL) to demonstrate that the gas phase VOC concentration in the void space of each layer of confinement in vented drums can be estimated from measured drum headspace using a theoretical transport model and that sampling of each layer of confinement is unnecessary. This report summarizes the studies performed in the INEL test program and extends them for the purpose of developing a methodology for determining gas phase VOC concentrations in both vented and unvented TRU waste containers. The methodology specifies conditions under which waste drum headspace gases can be said to be representative of drum gases as a whole and describes a method for predicting drum concentrations in situations where the headspace concentration is not representative. The methodology addresses the approach for determining the drum VOC gas content for two purposes: operational period drum handling and operational period no-migration calculations

Position for determining gas-phase volatile organic compound concentrations in transuranic waste containers. Revision 2

International Nuclear Information System (INIS)

Connolly, M.J.; Liekhus, K.J.

1998-06-01

In the conditional no-migration determination (NMD) for the test phase of the Waste Isolation Pilot Plant (WIPP), the US Environmental Protection Agency (EPA) imposed certain conditions on the US Department of Energy (DOE) regarding gas phase volatile organic compound (VOC) concentrations in the void space of transuranic (TRU) waste containers. Specifically, the EPA required the DOE to ensure that each waste container has no layer of confinement that contains flammable mixtures of gases or mixtures of gases that could become flammable when mixed with air. The EPA also required that sampling of the headspace of waste containers outside inner layers of confinement be representative of the entire void space of the container. The EPA stated that all layers of confinement in a container would have to be sampled until DOE can demonstrate to the EPA that sampling of all layers is either unnecessary or can be safely reduced. A test program was conducted at the Idaho National Engineering and Environmental Laboratory (INEEL) to demonstrate that the gas phase VOC concentration in the void space of each layer of confinement in vented drums can be estimated from measured drum headspace using a theoretical transport model and that sampling of each layer of confinement is unnecessary. This report summarizes the studies performed in the INEEL test program and extends them for the purpose of developing a methodology for determining gas phase VOC concentrations in both vented and unvented TRU waste containers. The methodology specifies conditions under which waste drum headspace gases can be said to be representative of drum gases as a whole and describes a method for predicting drum concentrations in situations where the headspace concentration is not representative. The methodology addresses the approach for determining the drum VOC gas content for two purposes: operational period drum handling and operational period no-migration calculations

MgO-templated nitrogen-containing carbons derived from different organic compounds for capacitor electrodes

Energy Technology Data Exchange (ETDEWEB)

Konno, Hidetaka; Onishi, Hiroaki; Azumi, Kazuhisa [Laboratory of Advanced Materials Chemistry, Graduate School of Engineering, Hokkaido University, Sapporo 060-8628 (Japan); Yoshizawa, Noriko [Energy Technology Institute, National Institute of Advanced Industrial Science and Technology, Tsukuba 305-8569 (Japan)

2010-01-15

Carbons containing nitrogen (C-N composites) were derived from three commercial organic compounds, poly(vinylpyrrolidone) (PVP), polyacrylamide (PAA), and trimethylolmelamine (TMM) using the MgO template method. The C-N composites formed in nitrogen at 700-1000 C had nitrogen content, W{sub N}, of 3-23 mass% and the specific surface area by N{sub 2} adsorption, S{sub BET}, of 60-2000 m{sup 2} g{sup -1} without activation. Generally high nitrogen content of the starting compound led to larger W{sub N}, but W{sub N} was not proportional to the N/C mole ratio in the compounds. The value of S{sub BET} strongly depended on the compound: S{sub BET} (PVP) > S{sub BET} (PAA) >> S{sub BET} (TMM). There was a tendency for W{sub N} to decrease with increasing S{sub BET}. The capacitance measured in 1 mol dm{sup -3} H{sub 2}SO{sub 4} by cyclic voltammetry, C{sub M} in F g{sup -1}, suggested that both W{sub N} and S{sub BET} are influential in gaining large C{sub M}. For the composites with W{sub N} > 5 mass%, the capacitance normalized by S{sub BET}, C{sub A} = C{sub M}/S{sub BET}, was 0.17-0.65 F m{sup -2}, which was larger than the electric double layer capacitance (0.05-0.15 F m{sup -2}), indicating that the pseudo-capacitance contributes significantly to C{sub M}. The value of C{sub A} increased with increasing W{sub N}, but a correlation between C{sub A} and particular nitrogen species on the surface measured by XPS was obscure. It was suggested that the large C{sub A} is not simply explained by redox reactions of the surface functional groups. The composite derived from PAA at 900 C showed 234 F g{sup -1} at 2 mV s{sup -1} and 181 F g{sup -1} at 100 mV s{sup -1} with acceptable yield of the composite. (author)

Sulphur-containing compounds in the essential oil of Ferula alliacea roots and their mass spectral fragmentation patterns.

Science.gov (United States)

Kasaian, Jamal; Asili, Javad; Iranshahi, Mehrdad

2016-10-01

Context GC-MS analysis is the best way to characterize volatile sulphur-containing compounds. Ferula (Apiaceae) is a genus of perennial herbs. Due to the occurrence of essential oils or oleoresins in the Ferula species, these plants usually possess strong aromatic scent. Terpenoid compounds were the most abundant constituents of Ferula oils, however, in some of Ferula species, the essential oils were dominated by volatile sulphur-containing compounds. Objectives Ferula alliacea Boiss. is considered one of the sources of the oleo-gum-resin asafoetida. In this study, we analyzed the hydrodistilled essential oil from its dried roots and provide new data about retention indices and mass fragmentation patterns of some volatile sulphur-containing compounds that are useful for future studies on this class of compounds. Materials and methods The roots of F. alliacea were collected during the flowering stage of plant, from Bezgh, Kashmar to Neishabour road, Khorasan-Razavi province, Iran, in June 2012. The oil was obtained by hydrodistillation using a Clevenger apparatus and analyzed by GC-MS. Results This is the first report on phytochemical analysis of F. alliacea roots. Seventy-six components, representing 99.5% of the oil, were characterized. The major components were 10-epi-γ-eudesmol (22.3%), valerianol (12.5%), hinesol (8.3%), guaiol (7.3%) and Z-propenyl-sec-butyl trisulphide (6.5%). Predominant mass fragment ions of the identified sulphur-containing compounds are explained in this paper. Conclusion The volatile oil of F. alliacea mostly contains oxygenated sesquiterpenes, however, its odour was dominated by sulphur-containing compounds. The most abundant sulphur-containing compound includes Z-propenyl-sec-butyl trisulphide (6.5%).

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.

Use of macrocycle- or hemisepulcrand-type poly(oxygen) compounds in nuclear hydrometallurgy. Study of the diluent effect: supra-molecular approach

International Nuclear Information System (INIS)

Bethmont, Valerie

1997-01-01

Liquid/liquid extraction has been used for many years to obtain high purity nuclear fuels (uranium salts and plutonium salts), notably with the Purex process which allows 99 per cent of uranium and plutonium contained by spent nuclear fuels to be recovered. This research thesis deals with the search for new and steadier extracting agents, and focuses on macro-cycle or hemisepulcrand type poly(oxygenated) compounds which have excellent properties in nuclear hydrometallurgy. The author thus first discusses the synthesis of oxygenated tripodands (bibliographical study and development of a catalytic method to synthesise ethers). Then, she reports the use of poly(oxygenated) compounds in liquid/liquid extraction, and the experimental study of the effect of the diluting agent by using a supramolecular approach [fr

Chloric organic compound

International Nuclear Information System (INIS)

Moalem, F.

2000-01-01

Since many years ago, hazardous and toxic refuses which are results of human activities has been carelessly without any Biological and Engineering facts and knowledge discharged into our land and water. The effects of discharging those materials in environment are different. Some of refuse materials shows short and other has long-time adverse effects in our environment, Among hazardous organic chemical materials, chlorine, consider, to be the main element. Organic materials with chlorine is called chlorine hydrocarbon as a hazardous compound. This paper discuss the hazardous materials especially chloric organic compound and their misuse effects in environment and human being

Destructive hydrogenation; dehydrogenation and dehydrogenation processes; purifying oils; polynuclear organic compounds

Energy Technology Data Exchange (ETDEWEB)

1934-02-08

Unitary organic compounds containing four or more nuclei are recovered from the high boiling fractions of destructive hydrogenation products of bituminous, resinous, or ligneous materials. Cooling, precipitation, crystallization, selective dissolution and distillation are some of the techniques discussed. These techniques may also be applied to the recovery of polynuclear compounds.

Organic derivatives of lanthanides containing metal in cycle

International Nuclear Information System (INIS)

Syutkina, O.P.; Rybakova, L.F.; Egorova, E.N.; Sigalov, A.B.; Beletskaya, I.P.

1983-01-01

The reaction of 2.2'-dilithium biphenyl with LnBr 3 (Ln=Pr, Sm, Gd, Ho, Yb here bromium atoms are comparatively easily replaced. Previously unknown organic derivatives of lanthanides containing metal in the cycle are obtained. It is established that a successful extraction of the compound requires reaction conditions, such as the use of ether as a solvent with the followinq addition of TGP, the order of addition of reagents. Compounds are extracted in the form of solvates containing TGP melecules. The complexes prepared are coloured, depending on the metal, beige (Pr, Sm) brown (Gd, Yb) and red-brown (Ho). They dissolve readily in TGP moderately in benzen toluene, CCl 4 . When stored their solubility in benzene and CCl 4 decreases considerably, and after 3-2 days, they are practically insoluhle. The compounds prepared are characterized by the elementary analysis, IR and PMR spectra

Phosphorus-containing macrocyclic compounds: synthesis and properties

International Nuclear Information System (INIS)

Knyazeva, I R; Burilov, Alexander R; Pudovik, Michael A; Habicher, Wolf D

2013-01-01

Main trends in the development of methods for the synthesis of phosphorus-containing macrocyclic compounds in the past 15 years are considered. Emphasis is given to reactions producing macrocyclic structures with the participation of a phosphorus atom and other functional groups involved in organophosphorus molecules and to modifications of macrocycles by phosphorus compounds in different valence states. Possibilities of the practical application of phosphorus-containing macrocyclic compounds in difference areas of science and engineering are discussed. The bibliography includes 205 references.

Detecting and Eliminating Interfering Organic Compounds in Waters Analyzed for Isotopic Composition by Crds

Science.gov (United States)

Richman, B. A.; Hsiao, G. S.; Rella, C.

2010-12-01

Optical spectroscopy based CRDS technology for isotopic analysis of δD and δ18O directly from liquid water has greatly increased the number and type of liquid samples analyzed. This increase has also revealed a previously unrecognized sample contamination problem. Recently West[1] and Brand[2] identified samples containing ethanol, methanol, plant extracts and other organic compounds analyzed by CRDS and other spectroscopy based techniques as yielding erroneous results for δD and δ18O (especially δD) due to spectroscopic interference. Not all organic compounds generate interference. Thus, identifying which samples are contaminated by which organic compounds is of key importance for data credibility and correction. To address this problem a new approach in the form of a software suite, ChemCorrect™, has been developed. A chemometrics component uses a spectral library of water isotopologues and interfering organic compounds to best fit the measured spectra. The best fit values provide a quantitative assay of the actual concentrations of the various species and are then evaluated to generate a visual flag indicating samples affected by organic contamination. Laboratory testing of samples spiked with known quantities of interfering organic compounds such as methanol, ethanol, and terpenes was performed. The software correctly flagged and identified type of contamination for all the spiked samples without any false positives. Furthermore the reported values were a linear function of actual concentration with an R^2>0.99 even for samples which contained multiple organic compounds. Further testing was carried out against a range of industrial chemical compounds which can contaminate ground water as well as a variety of plant derived waters and juices which were also analyzed by IRMS. The excellent results obtained give good insight into which organic compounds cause interference and which classes of plants are likely to contain interfering compounds. Finally

IN SITU MEASUREMENTS OF C2-C10 VOLATILE ORGANIC COMPOUNDS ABOVE A SIERRA NEVADA PONDEROSA PINE PLANTATION

Science.gov (United States)

A fully automated GC-FID system was designed and built to measure ambient concentrations of C2-C10 volatile organic compounds, including many oxygenated compounds, without using liquid cryogen. It was deployed at Blodgett Forest Research Station in Georgetown, CA USA, 38 deg 53' ...

Organic Compounds Produced by Photolysis of Realistic Interstellar and Cometary Ice Analogs Containing Methanol

Science.gov (United States)

Bernstein, Max P.; Sandford, Scott A.; Allamandola, Louis J.; Chang, Sherwood; Scharberg, Maureen A.

1995-01-01

The InfraRed (IR) spectra of UltraViolet (UV) and thermally processed, methanol-containing interstellar / cometary ice analogs at temperatures from 12 to 300 K are presented. Infrared spectroscopy, H-1 and C-13 Nuclear Magnetic Resonance (NMR) spectroscopy, and gas chromatography-mass spectrometry indicate that CO (carbon monoxide), CO2 (carbon dioxide), CH4 (methane), HCO (the formyl radical), H2CO (formaldehyde), CH3CH2OH (ethanol), HC([double bond]O)NH2 (formamide), CH3C([double bond]O)NH2 (acetamide), and R[single bond]C[triple bond]N (nitriles) are formed. In addition, the organic materials remaining after photolyzed ice analogs have been warmed to room temperature contain (in rough order of decreasing abundance), (1) hexamethylenetetramine (HMT, C6H12N4), (2) ethers, alcohols, and compounds related to PolyOxyMethylene (POM, ([single bond]CH2O[single bond](sub n)), and (3) ketones (R[single bond]C([double bond]O)[single bond]R') and amides (H2NC([double bond]O)[single bond]R). Most of the carbon in these residues is thought to come from the methanol in the original ice. Deuterium and C-13 isotopic labeling demonstrates that methanol is definitely the source of carbon in HMT. High concentrations of HMT in interstellar and cometary ices could have important astrophysical consequences. The ultraviolet photolysis of HMT frozen in H2O ice readily produces the 'XCN' band observed in the spectra of protostellar objects and laboratory ices, as well as other nitriles. Thus, HMT may be a precursor of XCN and a source of CN in comets and the interstellar medium. Also, HMT is known to hydrolyze under acidic conditions to yield ammonia, formaldehyde, and amino acids. Thus, HMT may be a significant source of prebiogenic compounds on asteroidal parent bodies. A potential mechanism for the radiative formation of HMT in cosmic ices is outlined.

Oceanic Emissions and Atmospheric Depositions of Volatile Organic Compounds

Science.gov (United States)

Yang, M.; Blomquist, B.; Beale, R.; Nightingale, P. D.; Liss, P. S.

2015-12-01

Atmospheric volatile organic compounds (VOCs) affect the tropospheric oxidative capacity due to their ubiquitous abundance and relatively high reactivity towards the hydroxyal radical. Over the ocean and away from terrestrial emission sources, oxygenated volatile organic compounds (OVOCs) make up a large fraction of VOCs as airmasses age and become more oxidized. In addition to being produced or destroyed in the marine atmosphere, OVOCs can also be emitted from or deposited to the surface ocean. Here we first present direct air-sea flux measurements of three of the most abundant OVOCs - methanol, acetone, and acetaldehyde, by the eddy covariance technique from two cruises in the Atlantic: the Atlantic Meridional Transect in 2012 and the High Wind Gas Exchange Study in 2013. The OVOC mixing ratios were quantified by a high resolution proton-reaction-transfer mass spectrometer with isotopically labeled standards and their air-sea (net) fluxes were derived from the eddy covariance technique. Net methanol flux was consistently from the atmosphere to the surface ocean, while acetone varied from supersaturation (emission) in the subtropics to undersaturation (deposition) in the higher latitudes of the North Atlantic. The net air-sea flux of acetaldehyde is near zero through out the Atlantic despite the apparent supersaturation of this compound in the surface ocean. Knowing the dissolved concentrations and in situ production rates of these compounds in seawater, we then estimate their bulk atmospheric depositions and oceanic emissions. Lastly, we summarize the state of knowledge on the air-sea transport of a number of organic gasses, and postulate the magnitude and environmental impact of total organic carbon transfer between the ocean and the atmosphere.

Decontamination of organic wastes containing radionuclides

International Nuclear Information System (INIS)

Unsworth, T.J.; Pimblott, S.M.; Brown, N.W.

2015-01-01

An electrochemical oxidation treatment has been developed by Arvia Technology for organic wastes containing radionuclides, in which GIC-bisulphate is used as an adsorbent and electrode. Significant work has been carried out in the irradiation of graphite for medical and nuclear applications and in the use of carbonaceous adsorbents but knowledge of the applicability of graphite intercalation compounds (GICs) in these roles is limited. This project will attempt to fill this gap. It will investigate the suitability of GIC-bisulphate as an adsorbent in an electrochemical treatment process for radioactive organic liquids. The process was initially used to treat waste-water from non-nuclear operations and now requires technical knowledge and research to adapt the treatment for the nuclear industry. Adsorption processes involving organic wastes containing mobile radionuclides such as 137 Cs are difficult to understand. The effects of gamma radiation on the chemistry of water and organics could complicate the treatment process further. To ensure the suitability and effectiveness of the electrochemical oxidation treatment for radioactive organic wastes, the following effects are being investigated: -) radiolytic degradation of GIC-bisulphate in solution, -) leaching of intercalated ions due to gamma radiation, -) effect of gamma radiation on the adsorption of organics by GIC-bisulphate, -) changes in the sorption behaviour of radioactive contaminants, -) distribution coefficients of contaminants in organic and aqueous phases, and -) selective or competitive adsorption on graphite surface sites

Charge-density matching in organic-inorganic uranyl compounds

Energy Technology Data Exchange (ETDEWEB)

Krivovichev, S.V. [Saint Petersburg State Univ., Dept. of Crystallography, Faculty of Geology (Russian Federation); Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F. [Russian Academy of Sciences, A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Moscow (Russian Federation)

2007-10-15

Single crystals of [C{sub 10}H{sub 26}N{sub 2}][(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)](H{sub 2}SeO{sub 4}){sub 0.85}(H{sub 2}O){sub 2} (1), [C{sub 10}H{sub 26}N{sub 2}][(UO{sub 2})(SeO{sub 4}){sub 2}] (H{sub 2}SeO{sub 4}){sub 0.50}(H{sub 2}O) (2), and [C{sub 8}H{sub 20}N]{sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)] (H{sub 2}O) (3) were prepared by evaporation from aqueous solution of uranyl nitrate, selenic acid and the respective amines. The structures of the compounds have been solved by direct methods and structural models have been obtained. The structures of the compounds 1, 2, and 3 contain U and Se atoms in pentagonal bipyramidal and tetrahedral coordinations, respectively. The UO{sub 7} and SeO{sub 4} polyhedra polymerize by sharing common O atoms to form chains (compound 1) or sheets (compounds 2 and 3). In the structure of 1, the layers consisting of hydrogen-bonded [UO{sub 2}(SeO{sub 4}){sub 2}(H{sub 2}O)]{sup 2-} chains are separated by mixed organic-inorganic layers comprising from [NH{sub 3}(CH{sub 2}){sub 10}NH{sub 3}]{sup 2+} molecules, H{sub 2}O molecules, and disordered electroneutral (H{sub 2}SeO{sub 4}) groups. The structure of 2 has a similar architecture but a purely inorganic layer is represented by a fully connected [UO{sub 2}(SeO{sub 4}){sub 2}]{sup 2-} sheet. The structure of 3 does not contain disordered (H{sub 2}SeO{sub 4}) groups but is based upon alternating [UO{sub 2}(SeO{sub 4}){sub 2}(H{sub 2}O)]{sup 2-} sheets and 1.5-nm-thick organic blocks consisting of positively charged protonated octylamine molecules, [NH{sub 3}(CH{sub 2}){sub 7}CH{sub 3}]{sup +}. The structures may be considered as composed of anionic inorganic sheets (2D blocks) and cationic organic blocks self-organized according to competing hydrophilic-hydrophobic interactions. Analysis of the structures allows us to conclude that the charge-density matching principle is observed in uranyl compounds. In order to satisfy some basic peculiarities of uranyl (in

Effects of aqueous-soluble organic compounds on the removal of selected radionuclides from high-level waste part I: Distribution of Sr, Cs, and Tc onto 18 absorbers from an irradiated, organic-containing leachate simulant for Hanford Tank 101-SY

International Nuclear Information System (INIS)

Marsh, S.F.; Svitra, Z.V.; Bowen, S.M.

1995-01-01

Many of the radioactive waste storage tanks at U.S. Department of Energy facilities contain organic compounds that have been degraded by radiolysis and chemical reactions. In this investigation, we measured the effect of some aqueous-soluble organic compounds on the sorption of strontium, cesium, and technetium onto 18 absorbers that offer high sorption of strontium from organic-free solutions. For our test solution we used a leachate from a simulated slurry for Hanford Tank 101-SY that initially contained ethylenediaminetetraacetic acid (EDTA) and then was gamma-irradiated to 34 Mrads. We measured distribution coefficients (Kds) for each element/absorber combination for dynamic contact periods of 30 min, 2 h, and 6 h to obtain information about sorption kinetics. To facilitate comparisons, we include Kd values for these same element/absorber combinations from three organic-free simulant solutions. The Kd values for strontium sorption from the simulant that contained the degraded organics usually decreased by large factors, whereas the Kd values for cesium and technetium sorption were relatively unaffected

Selenium-containing indolyl compounds

DEFF Research Database (Denmark)

Casaril, Angela M; Ignasiak, Marta T; Chuang, Christine Y

2017-01-01

materials, including extracellular matrix (ECM) proteins, within the artery wall. Here we investigated the potential of selenium-containing indoles to afford protection against these oxidants, by determining rate constants (k) for their reaction, and quantifying the extent of damage on isolated ECM proteins......Tyr on HCAEC-ECM were also reduced. These data demonstrate that the novel selenium-containing compounds show high reactivity with oxidants and may modulate oxidative and nitrosative damage at sites of inflammation, contributing to a reduction in tissue dysfunction and atherogenesis....

Studies about behavior of microbial degradation of organic compounds

International Nuclear Information System (INIS)

Ohtsuka, Makiko

2003-02-01

Some of TRU waste include organic compounds, thus these organic compounds might be nutrients for microbial growth at disposal site. This disposal system might be exposed to high alkali condition by cement compounds as engineering barrier material. In the former experimental studies, it has been supposed that microbial exist under pH = 12 and the microbial activity acclimated to high alkali condition are able to degrade asphalt under anaerobic condition. Microbes are called extremophile that exist in cruel habitat as high alkali or reductive condition. We know less information about the activity of extremophile, though any recent studies reveal them. In this study, the first investigation is metabolic pathway as microbial activity, the second is microbial degradation of aromatic compounds in anaerobic condition, and the third is microbial activity under high alkali. Microbial metabolic pathway consist of two systems that fulfill their function each other. One system is to generate energy for microbial activities and the other is to convert substances for syntheses of organisms' structure materials. As these systems are based on redox reaction between substances, it is made chart of the microbial activity region using pH, Eh, and depth as parameter, There is much report that microbe is able to degrade aromatic compounds under aerobic or molecular O 2 utilizing condition. For degradation of aromatic compounds in anaerobic condition, supplying electron acceptor is required. Co-metabolism and microbial consortia has important role, too. Alcalophile has individual transporting system depending Na + and acidic compounds contained in cell wall. Generating energy is key for survival and growth under high alkali condition. Co-metabolism and microbial consortia are effective for microbial degradation of aromatic compounds under high alkali and reductive condition, and utilizable electron acceptor and degradable organic compounds are required for keeping microbial activity and

Treatment of toxic and hazardous organic wastes by wet oxidation process with oxygenated water at low temperature

International Nuclear Information System (INIS)

Piccinno, T.; Salluzzo, A.; Nardi, L.; Gili, M.; Luce, A.; Troiani, F.; Cornacchia, G.

1989-11-01

The wet oxidation process using air or molecular oxygen is a well-known process from long time. It is suitable to oxidize several types of waste refractory to the usual biological, thermal and chemical treatments. The drastic operating conditions (high pressures and temperatures) prevented its industrial development. In the last years a new interest was assigned to the process for the treatment of nuclear wastes (organic resins and exhaust organic wastes); the treatment is carried out at widely reduced operating conditions (atmospheric pressure and boiling temperature) by means of metallic catalysts and hydrogen peroxide. With some limits, the wet oxidation with hydrogen peroxide at low temperature can be applied to conventional waste waters containing toxic organic compounds. In the present report are summarized the activities developed at ENEA Fuel Cycle Department by the task force 'Deox' constituted by laboratory and plant specialists in order to verify the application of the wet oxidation process to the treatment of the toxic wastes. (author)

Purgeable Organic Compounds in Water At or Near the Idaho National Engineering Laboratory, Idaho, 1992-95

Energy Technology Data Exchange (ETDEWEB)

Greene, M.R.; Tucker, B.J.

1998-06-01

Water samples from 54 wells and 6 surface-water sites at or near the Idaho National Engineering Laboratory were analyzed for 63 purgeable organic compounds during 1992-95. The samples were collected and analyzed as a continuation of water-quality studies initiated in 1987 and conducted by the U.S. Geological Survey in cooperation with the U.S. Department of Energy. Water from 53 of the wells comes from the Snake River Plain aquifer. The remaining well was completed in a perched water zone above the Snake River Plain aquifer. Water samples from 23 wells completed in the Snake River Plain aquifer contained detectable concentrations of at least 1 of 14 selected purgeable organic compounds. The most commonly detected compounds were carbon tetrachloride, chloroform, 1,1,1-trichloroethane, and trichloroethylene. The concentrations of most compounds were less than the laboratory reporting levels. The water sample from the perched zone contained detectable concentrations of 18 purgeable organic compounds. This report summarizes concentrations of purgeable organic compounds concentrations of purgeable organic compounds detected in water samples collected during 1992-95. A total of 270 water samples were collected from 54 wells and 6 surface-water sites.

Halogenated organic compounds in archived whale oil: A pre-industrial record

International Nuclear Information System (INIS)

Teuten, Emma L.; Reddy, Christopher M.

2007-01-01

To provide additional evidence that several halogenated organic compounds (HOCs) found in environmental samples are natural and not industrially produced, we analyzed an archived whale oil sample collected in 1921 from the last voyage of the whaling ship Charles W. Morgan. This sample, which pre-dates large-scale industrial manufacture of HOCs, contained two methoxylated polybrominated diphenyl ethers (MeO-PBDEs), five halogenated methyl bipyrroles (MBPs), one halogenated dimethyl bipyrrole (DMBP), and tentatively one dimethoxylated polybrominated biphenyl (diMeO-PBB). This result indicates, at least in part, a natural source of the latter compounds. - Nine halogenated organic compounds have been detected in archived whale oil from the early 1920s

Halogenated organic compounds in archived whale oil: A pre-industrial record

Energy Technology Data Exchange (ETDEWEB)

Teuten, Emma L. [Department of Marine Chemistry and Geochemistry, Woods Hole Oceanographic Institution, 360 Woods Hole Road, Woods Hole, MA 02543 (United States)]. E-mail: emma.teuten@plymouth.ac.uk; Reddy, Christopher M. [Department of Marine Chemistry and Geochemistry, Woods Hole Oceanographic Institution, 360 Woods Hole Road, Woods Hole, MA 02543 (United States)]. E-mail: creddy@whoi.edu

2007-02-15

To provide additional evidence that several halogenated organic compounds (HOCs) found in environmental samples are natural and not industrially produced, we analyzed an archived whale oil sample collected in 1921 from the last voyage of the whaling ship Charles W. Morgan. This sample, which pre-dates large-scale industrial manufacture of HOCs, contained two methoxylated polybrominated diphenyl ethers (MeO-PBDEs), five halogenated methyl bipyrroles (MBPs), one halogenated dimethyl bipyrrole (DMBP), and tentatively one dimethoxylated polybrominated biphenyl (diMeO-PBB). This result indicates, at least in part, a natural source of the latter compounds. - Nine halogenated organic compounds have been detected in archived whale oil from the early 1920s.

Investigation of extractable organic compounds in deep-sea hydrothermal vent fluids along the Mid-Atlantic Ridge

Science.gov (United States)

McCollom, Thomas M.; Seewald, Jeffrey S.; German, Christopher R.

2015-05-01

The possibility that deep-sea hydrothermal vents may contain organic compounds produced by abiotic synthesis or by microbial communities living deep beneath the surface has led to numerous studies of the organic composition of vent fluids. Most of these studies have focused on methane and other light hydrocarbons, while the possible occurrence of more complex organic compounds in the fluids has remained largely unstudied. To address this issue, the presence of higher molecular weight organic compounds in deep-sea hydrothermal fluids was assessed at three sites along the Mid-Atlantic Ridge that span a range of temperatures (51 to >360 °C), fluid compositions, and host-rock lithologies (mafic to ultramafic). Samples were obtained at several sites within the Lucky Strike, Rainbow, and Lost City hydrothermal fields. Three methods were employed to extract organic compounds for analysis, including liquid:liquid extraction, cold trapping on the walls of a coil of titanium tubing, and pumping fluids through cartridges filled with solid phase extraction (SPE) sorbents. The only samples to consistently yield high amounts of extractable organic compounds were the warm (51-91 °C), highly alkaline fluids from Lost City, which contained elevated concentrations of C8, C10, and C12n-alkanoic acids and, in some cases, trithiolane, hexadecanol, squalene, and cholesterol. Collectively, the C8-C12 acids can account for about 15% of the total dissolved organic carbon in the Lost City fluids. The even-carbon-number predominance of the alkanoic acids indicates a biological origin, but it is unclear whether these compounds are derived from microbial activity occurring within the hydrothermal chimney proximal to the site of fluid discharge or are transported from deeper within the system. Hydrothermal fluids from the Lucky Strike and Rainbow fields were characterized by an overall scarcity of extractable dissolved organic compounds. Trace amounts of aromatic hydrocarbons including

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. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

Nitrogen, oxygen or sulfur containing heterocyclic compounds as analgesic drugs used as modulators of the nitroxidative stress.

Science.gov (United States)

Salat, Kinga; Moniczewski, Andrzej; Librowski, Tadeusz

2013-03-01

Numerous lines of evidence suggest that heterocyclic compounds used as analgesic, anti-inflammatory and anti-migraine agents can be potent regulators of the nitroxidative stress and targeting free nitrogen and oxygen radicals is a very promising strategy for future pain management. Both classical analgesics (nonsteroidal anti-inflammatory drugs, opioid drugs) and many analgesic adjuvants, including desipramine, duloxetine, fluoxetine, paroxetine, escitalopram, phenytoin or carbamazepine and α-lipoic acid can modulate the balance between pro-oxidant and antioxidant processes in the mammalian tissues and these properties of drugs such as indomethacin, meloxicam, tenoxicam, valdecoxib or some metabolites of analgesic drugs formed by the activity of tissue peroxidases may contribute to their clinical efficacy and drug-related toxic effects, including gastrointestinal ulcers, hepatic failure, agranulocytosis, aplastic anemia, neutropenia, opiate-induced hyperalgesia and tolerance. The antioxidant capacities of novel heterocyclic compounds, including the compounds acting either by prevention of formation or catalyzed decomposition of peroxynitrite anion (ONOO-), namely the peroxynitrite decomposition catalysts or as superoxide (O2 •-)-scavengers which are the functional mimetics of superoxide dismutase (SOD) enzymes (SODm), as well as the derivatives of 6-nitro-3,4-methylenedioxyphenyl-Nacylhydrazone (LASSBio-881) or γ-butyrolactone (LPP1, BM113, BM113A, BM138 and BM138A) are also discussed as potent and promising future heterocyclic analgesics.

Combined electrochemical degradation and activated carbon adsorption treatments for wastewater containing mixed phenolic compounds

Energy Technology Data Exchange (ETDEWEB)

Rajkumar, D.; Palanivelu, K.; Balasubramanian, N. [Anna University, Madras (India). Center for Environmental Studies

2005-01-01

Electrochemical degradation of mixed phenolic compounds present in coal conversion wastewater was investigated in the presence of chloride as supporting electrolyte. Initially, the degradation experiments were conducted separately with 300 mg/L of individual phenolic compound in the presence of 2500 mg/L chloride using Ti/TiO{sub 2}-RuO{sub 2}-IrO{sub 2} anode at 5.4 A/dm{sup 2} current density. Comparison of the experimental results of the chemical oxygen demand (COD) removal versus charge indicated that the order of decreasing COD removal for various phenolic compounds as catechol {gt} resorcinol {gt} m-cresol {gt} o-cresol {gt} phenol {gt} p-cresol. Degradation of the mixture of phenolic compounds and high-pressure liquid chromatography (HPLC) determinations at various stages of electrolysis showed that phenolic compounds were initially converted into benzoquinone and then to lower molecular weight aliphatic compounds. The COD and the total organic carbon (TOC) removal were 83 and 58.9% after passing 32 Ah/L with energy consumption of 191.6 kWh/kg of COD removal. Experiments were also conducted to remove adsorbable organic halogens (AOX) content in the treated solution using granular activated carbon. The optimum conditions for the removal of AOX was at pH 3.0, 5 mL/min flow rate and 31.2 cm bed height. Based on the investigation, a general scheme of treatment of mixed phenolic compounds by combined electrochemical and activated carbon adsorption treatment is proposed.

Advances in Biodegradation of Multiple Volatile Organic Compounds

Science.gov (United States)

Zhang, M.; Yoshikawa, M.

2017-12-01

Bioremediation of soil and groundwater containing multiple contaminants remains a challenge in environmental science and engineering because complete biodegradation of all components is necessary but very difficult to accomplish in practice. This presentation provides a brief overview on advances in biodegradation of multiple volatile organic compounds (VOCs) including chlorinated ethylenes, benzene, toluene and dichloromethane (DCM). Case studies on aerobic biodegradation of benzene, toluene and DCM, and integrated anaerobic-aerobic biodegradation of 7 contaminants, specifically, tetrachloroethylene (PCE), trichloroethylene (TCE), cis-dichloroethylene (cis-DCE), vinyl chloride (VC), DCM, benzene and toluene will be provided. Recent findings based on systematic laboratory experiments indicated that aerobic toluene degradation can be enhanced by co-existence of benzene. Propioniferax, not a known benzene, toluene and DCM degrader can be a key microorganism that involves in biodegradation when the three contaminants co-exist. Integrated anaerobic-aerobic biodegradation is capable of completely degrading the seven VOCs with initial concentrations less than 30 mg/L. Dehalococcoides sp., generally considered sensitive to oxygen, can survive aerobic conditions for at least 28 days, and can be activated during the subsequent anaerobic biodegradation. This presentation may provide a systematic information about biodegradation of multiple VOCs, and a scientific basis for the complete bioremediation of multiple contaminants in situ.

Peroxide organometallic compounds and their transformations

International Nuclear Information System (INIS)

Razuvaev, G.A.; Brilkina, T.G.

1976-01-01

A survey is given experimental works on synthesis and reactions of peroxide organometallic compounds. Reactions have been considered of organometallic compounds with oxygen and organic peroxides which result in formation of both peroxide and non-peroxide products. Possible routes and mechanisms of chemical transformations of peroxide organometallic compounds have been discussed. Reactions of organometallic compounds with oxygen and peroxides have been considered

Fluxes and concentrations of volatile organic compounds above central London, UK

Directory of Open Access Journals (Sweden)

B. Langford

2010-01-01

Full Text Available Concentrations and fluxes of eight volatile organic compounds (VOCs were measured during October 2006 from a high telecom tower above central London, as part of the CityFlux contribution to the REPARTEE I campaign. A continuous flow disjunct eddy covariance technique with analysis by proton transfer reaction mass spectrometry was used. Daily averaged VOC mixing ratios were within the range 1–19 ppb for the oxygenated compounds (methanol, acetaldehyde and acetone and 0.2–1.3 ppb for the aromatics (benzene, toluene and C₂-benzenes. Typical VOC fluxes were in the range 0.1–1.0 mg m⁻² h⁻¹. There was a non-linear relationship between VOC fluxes and traffic density for most of the measured compounds. Traffic activity was estimated to account for approximately 70% of the aromatic compound fluxes, whereas non-traffic related sources were found to be more important for methanol and isoprene fluxes. The measured fluxes were comparable to the estimates of the UK national atmospheric emission inventory for the aromatic VOCs and CO. In contrast, fluxes of the oxygenated compounds were about three times larger than inventory estimates. For isoprene and acetonitrile this difference was many times larger. At temperatures over 25° C it is estimated that more than half the isoprene observed in central London is of biogenic origin.

A study on the photocatalytic decomposition reactions of organics dissolved in water (II)

International Nuclear Information System (INIS)

Sung, K. W.; Na, J. W.; Cho, Y. H.; Chung, H. H.

2001-01-01

Experiments on aqueous TiO 2 photocatalytic reaction characteristics of 4 nitrogen-containing and 12 aromatic organic compounds were carried out. Based on the values calculated for the distribution of ionic species and atomic charge, the characteristics of their photocatalytic decomposition were estimated. It was shown that the dependence of decomposition of the N-containing compounds were linearly proportional to their nitrogen atomic charge values, while that of the aromatic compounds were inversely proportional. The effects of aqueous pH, oxygen content and concentration on the TiO 2 photocatalytic characteristics of EDTA-Cu(II) and EDTA-Fe(III) were experimentally investigated. All EDTA systems were decomposed better in the pH range of 2.5∼3.0 and with more dissolved oxygen. These results could be applied to a unit process for removal of organic impurities dissolved in a source water of the system water, and for treatment of EDTA-containing liquid waste produced by chemical cleaning process in the domestic NPPs

A study on the photocatalytic decomposition reactions of organics dissolved in water (II)

Energy Technology Data Exchange (ETDEWEB)

Sung, K. W.; Na, J. W.; Cho, Y. H.; Chung, H. H

2001-01-01

Experiments on aqueous TiO{sup 2} photocatalytic reaction characteristics of 4 nitrogen-containing and 12 aromatic organic compounds were carried out. Based on the values calculated for the distribution of ionic species and atomic charge, the characteristics of their photocatalytic decomposition were estimated. It was shown that the dependence of decomposition of the N-containing compounds were linearly proportional to their nitrogen atomic charge values, while that of the aromatic compounds were inversely proportional. The effects of aqueous pH, oxygen content and concentration on the TiO{sup 2} photocatalytic characteristics of EDTA-Cu(II) and EDTA-Fe(III) were experimentally investigated. All EDTA systems were decomposed better in the pH range of 2.5{approx}3.0 and with more dissolved oxygen. These results could be applied to a unit process for removal of organic impurities dissolved in a source water of the system water, and for treatment of EDTA-containing liquid waste produced by chemical cleaning process in the domestic NPPs.

CARBOHYDRATE-CONTAINING COMPOUNDS WHICH BIND TO CARBOHYDRATE BINDING RECEPTORS

DEFF Research Database (Denmark)

1995-01-01

Carbohydrate-containing compounds which contain saccharides or derivatives thereof and which bind to carbohydrate binding receptors are useful in pharmaceutical products for treatment of inflammatory diseases and other diseases.......Carbohydrate-containing compounds which contain saccharides or derivatives thereof and which bind to carbohydrate binding receptors are useful in pharmaceutical products for treatment of inflammatory diseases and other diseases....

Application of organic compounds for high-order harmonic generation of ultrashort pulses

Science.gov (United States)

Ganeev, R. A.

2016-02-01

The studies of the high-order nonlinear optical properties of a few organic compounds (polyvinyl alcohol, polyethylene, sugar, coffee, and leaf) are reported. Harmonic generation in the laser-produced plasmas containing the molecules and large particles of above materials is demonstrated. These studies showed that the harmonic distributions and harmonic cutoffs from organic compound plasmas were similar to those from the graphite ablation. The characteristic feature of observed harmonic spectra was the presence of bluesided lobes near the lower-order harmonics.

Measurement of oxygen transfer from air into organic solvents

DEFF Research Database (Denmark)

Ramesh, Hemalata; Mayr, Torsten; Hobisch, Mathias

2016-01-01

biological reactions require the supply of oxygen, most normally from air. However, reliable on-line measurements of oxygen concentration in organic solvents (and hence oxygen transfer rates from air to the solvent) has to date proven impossible due limitations in the current analytical methods. Results...... applications). Subsequently, we measured the oxygen transfer rates from air into these organic solvents. Conclusion The measurement of oxygen transfer rates from air into organic solvents using the dynamic method was established using the solvent resistant optical sensor. The feasibility of online oxygen...... For the first time, we demonstrate on-line oxygen measurements in non-aqueous media using a novel optical sensor. The sensor was used to measure oxygen concentration in various organic solvents including toluene, THF, isooctane, DMF, heptane and hexane (which have all been shown suitable for several biological...

Atmospheric Release of Organic Chlorinated Compounds from the Activated-Sludge Wastewater Treatment Process.

Science.gov (United States)

1980-05-01

representing 26 industry types were tested in this desorption apparatus. Sixty-four (85%) contained 6 detectable air- strippable fractions. Thibodeaux and...retardants such as Hex, chlordane, chlordene, aldrin and isodrin. Only three test compounds (Hex-BCH, Hex-VCL and chlordene) were selected for...detergent level was selected as a test parameter because oxygen transfer in aerated aqueous solution is influenced by surfactant concentration. A minimum

Sono-catalytic degradation of organic compounds

International Nuclear Information System (INIS)

Navarro, N.

2012-01-01

Unlike aqueous effluents from the PUREX process, aqueous effluents from advanced separation processes developed to separate the minor actinides (Am, Cm) contain organic reagents in large amounts. To minimize the impact of these organic compounds on the next steps of the process, and to respect standard discharges, it is necessary to develop new techniques of degradation of organic compounds. Sono-chemistry appears as a very promising solution to eliminate organic species in aqueous nuclear effluents. Indeed, the propagation of an ultrasonic wave in a liquid medium induces the appearance of cavitation bubbles which will quickly grow and implode, causing local conditions and extreme temperatures and pressures. Each cavitation bubble can then be considered as a microreactor at high temperature and high pressure able to destroy organic molecules without the addition of specific reagents. The first studies on the effect of ultrasonic frequency on sono-luminescence and sono-lysis of formic acid have shown that the degradation of formic acid occurs at the bubble/liquid interface. The most striking difference between low-frequency and high-frequency ultrasound is that the sono-lysis of HCOOH at high ultrasonic frequencies initiates secondary reactions not observed at 20 kHz. However, despite a much higher sono-chemical activity at high frequency, highly concentrated carboxylic acids in the aqueous effluents from advanced separation processes cannot be destroyed by ultrasound alone. To increase the efficiency of sono-chemical reactions, the addition of supported platinum catalysts has been studied. In these conditions, an increase of the kinetics of destruction of carboxylic acids such as oxalic acid is observed. (author) [fr

Organic Compounds Complexify Transport in the Amargosa Desert—The Case for Phytotritiation

Science.gov (United States)

Stonestrom, D. A.; Luo, W.; Andraski, B. J.; Baker, R. J.; Maples, S.; Mayers, C. J.; Young, M. B.

2014-12-01

Civilian low-level radioactive waste containing organic compounds was disposed in 2- to 15-m deep unlined trenches in a 110-m deep unsaturated zone at the present-day USGS Amargosa Desert Research Site. Tritium represents the plurality of disposed activity. A plume of gas-phase contaminants surrounds the disposal area, with 60 distinct volatile organic compounds (VOCs) identified to date. The distribution of tritiated water in the unsaturated zone surrounding the disposal area is highly enigmatic, with orders of magnitude separating observed levels from those predicted by multiphase models of mass and energy transport. Peaks of tritium and VOCs are coincidently located in sediments tens of meters below the root zone, suggesting abiotic stratigraphic control on lateral transport at depth. Surprisingly, the highest observed levels of tritium occur at a depth of about 1.5 m, the base of the creosote-bush plant-community root zone, where levels of waste-derived VOCs are low (approaching atmospheric levels). Bulk water-vapor samples from shallow and deep unsaturated-zone profile hot spots were trapped as water ice in cold fingers immersed in dry ice-isopropyl alcohol filled Dewar flasks, then melted and sequentially extracted by purge-and-trap VOC degassing followed by elution through activated carbon solid-phase extraction (SPE) cartridges. Analysis of tritium activities and mass spectrometer results indicate that over 98% of tritium activity at depth is present as water, whereas about 15% of basal root zone tritium activity is present as organic compounds trapped with the water. Of these, the less-volatile compound group removed by SPE accounted for about 85% of the organic tritium activity, with mass spectrometry identifying 2-ethyl-1-hexanol as the principal compound removed. This plant-produced fatty alcohol is ubiquitous in the root zone of creosote-bush communities and represents a family of hydroxyl-containing plant produced compounds that give the plants their

Radiation-induced nitration of organic compounds in aqueous solutions

International Nuclear Information System (INIS)

Ershov, B.G.; Gordeev, A.V.; Bykov, G.L.

2009-01-01

Radiation-induced nitration of organic compounds in aqueous solutions was studied. It was found that γ-irradiation of solutions containing acetic and nitric acid and/or their salts gives nitromethane. Dependences of the product yield on the absorbed dose and the contents of components were established. The mechanism of radiation nitration involving radicals is discussed. (author)

Oxygen transfer rate identifies priming compounds in parsley cells.

Science.gov (United States)

Schilling, Jana Viola; Schillheim, Britta; Mahr, Stefan; Reufer, Yannik; Sanjoyo, Sandi; Conrath, Uwe; Büchs, Jochen

2015-11-25

In modern agriculture, the call for an alternative crop protection strategy increases because of the desired reduction of fungicide and pesticide use and the continuously evolving resistance of pathogens and pests to agrochemicals. The direct activation of the plant immune system does not provide a promising plant protection measure because of high fitness costs. However, upon treatment with certain natural or synthetic compounds, plant cells can promote to a fitness cost-saving, primed state of enhanced defense. In the primed state, plants respond to biotic and abiotic stress with faster and stronger activation of defense, and this is often associated with immunity and abiotic stress tolerance. Until now, the identification of chemical compounds with priming-inducing activity (so-called plant activators) relied on tedious and invasive approaches, or required the late detection of secreted furanocoumarin phytoalexins in parsley cell cultures. Thus, simple, fast, straightforward, and noninvasive techniques for identifying priming-inducing compounds for plant protection are very welcome. This report demonstrates that a respiration activity-monitoring system (RAMOS) can identify compounds with defense priming-inducing activity in parsley cell suspension in culture. RAMOS relies on the quasi-continuous, noninvasive online determination of the oxygen transfer rate (OTR). Treatment of parsley culture cells with the known plant activator salicylic acid (SA), a natural plant defense signal, resulted in an OTR increase. Addition of the defense elicitor Pep13, a cell wall peptide of Phythophthora sojae, induced two distinctive OTR peaks that were higher in SA-primed cells than in unprimed cells upon Pep13 challenge. Both, the OTR increase after priming with SA and the Pep13 challenge were dose-dependent. Furthermore, there was a close correlation of a compound's activity to enhance the oxygen consumption in parsley cells and its capacity to prime Pep13-induced furanocoumarin

Elucidation of oxidation and degradation products of oxygen containing fuel components by combined use of a stable isotopic tracer and mass spectrometry.

Science.gov (United States)

Frauscher, Marcella; Besser, Charlotte; Allmaier, Günter; Dörr, Nicole

2017-11-15

In order to reveal the degradation products of oxygen-containing fuel components, in particular fatty acid methyl esters, a novel approach was developed to characterize the oxidation behaviour. Combination of artificial alteration under pressurized oxygen atmosphere, a stable isotopic tracer, and gas chromatography electron impact mass spectrometry (GC-EI-MS) was used to obtain detailed information on the formation of oxidation products of (9Z), (12Z)-octadecadienoic acid methyl ester (C18:2 ME). Thereby, biodiesel simulating model compound C18:2 ME was oxidized in a rotating pressurized vessel standardized for lubricant oxidation tests (RPVOT), i.e., artificially altered, under 16 O 2 as well as 18 O 2 atmosphere. Identification of the formed degradation products, mainly carboxylic acids of various chain lengths, alcohols, ketones, and esters, was performed by means of GC-EI-MS. Comparison of mass spectra of compounds under both atmospheres revealed not only the degree of oxidation and the origin of oxygen atoms, but also the sites of oxidative attack and bond cleavage. Hence, the developed and outlined strategy based on a gas-phase stable isotopic tracer and mass spectrometry provides insight into the degradation of oxygen-containing fuels and fuel components by means of the accurate differentiation of oxygen origin in a degradation product. Copyright © 2017 Elsevier B.V. All rights reserved.

Single-reactor process for producing liquid-phase organic compounds from biomass

Science.gov (United States)

Dumesic, James A [Verona, WI; Simonetti, Dante A [Middleton, WI; Kunkes, Edward L [Madison, WI

2011-12-13

Disclosed is a method for preparing liquid fuel and chemical intermediates from biomass-derived oxygenated hydrocarbons. The method includes the steps of reacting in a single reactor an aqueous solution of a biomass-derived, water-soluble oxygenated hydrocarbon reactant, in the presence of a catalyst comprising a metal selected from the group consisting of Cr, Mn, Fe, Co, Ni, Cu, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au, at a temperature, and a pressure, and for a time sufficient to yield a self-separating, three-phase product stream comprising a vapor phase, an organic phase containing linear and/or cyclic mono-oxygenated hydrocarbons, and an aqueous phase.

Thermal ion-molecule reactions in oxygen-containing molecules

International Nuclear Information System (INIS)

Kumakura, Minoru

1981-02-01

The energetics of ions and the thermal ion-molecule reactions in oxygen-containing molecules have been studied with a modified time-of-flight mass spectrometer. It was found that the translational energy of ion can be easily obtained from analysis of the decay curve using the time-of-flight mass spectrometer. The condensation-elimination reactions proceeded via cross- and homo-elimination mechanism in which the nature of intermediate-complex could be correlated with the nature of reactant ion. It was elucidated that behavior of poly-atomic oxygen-containing ions on the condensation-elimination reactions is considerably influenced by their oxonium ion structures having functional groups. In addition, the rate constants of the condensation-elimination reactions have affected with the energy state of reactant ion and the dipole moment and/or the polarizability of neutral molecule. It was clarified that the rate constants of the ion-molecule clustering reactions in poly-atomic oxygen-containing molecules such as cyclic ether of six member rings are very large and the cluster ions are stable owing to the large number of vibrational degree of freedom in the cluster ions. (author)

Using portable Raman spectrometers for the identification of organic compounds at low temperatures and high altitudes: exobiological applications.

Science.gov (United States)

Jehlicka, J; Edwards, H G M; Culka, A

2010-07-13

Organic minerals, organic acids and NH-containing organic molecules represent important target molecules for astrobiology. Here, we present the results of the evaluation of a portable hand-held Raman spectrometer to detect these organic compounds outdoors under field conditions. These measurements were carried out during the February-March 2009 winter period in Austrian Alpine sites at temperatures ranging between -5 and -25 degrees C. The compounds investigated were detected under field conditions and their main Raman spectral features were observed unambiguously at their correct reference wavenumber positions. The results obtained demonstrate that a miniaturized Raman spectrometer equipped with 785 nm excitation could be applied with advantage as a key instrument for investigating the presence of organic minerals, organic acids and nitrogen-containing organic compounds outdoors under terrestrial low-temperature conditions. Within the payload designed by ESA and NASA for several missions focusing on Mars, Titan, Europa and other extraterrestrial bodies, Raman spectroscopy can be proposed as an important non-destructive analytical tool for the in situ identification of organic compounds relevant to life detection on planetary and moon surfaces or near subsurfaces.

Method to prepare essentially organic waste liquids containing radioactive or toxic materials

International Nuclear Information System (INIS)

Baehr, W.; Drobnik, S.H.; Hild, W.; Kroebel, R.; Meyer, A.; Naumann, G.

1976-01-01

Waste solutions occuring in nuclear technology containing radioactive or toxic materials can be solidified by mixing with a polymerisable mixture with subsequent polymerization. An improvement of this method, especially for liquids in which the radioactive components are present as organic compounds is achieved by adding a mixture of at least one monomeric vinyl compound, at least one polyvinyl compound and appropriate catalysts and by polymerizing at temperatures between 15 and 150 0 C. Should the waste liquid contain mineral acid, this is first neutralized by the addition of CaO or MgO. In processing oils or soaps, the addition of swelling agent for polystyrol resins is advantageous. 16 examples illustrate the invention. (UWI) [de

X-ray photoelectron spectroscopy of HUPA organic substances: natural and synthetic humic compounds

International Nuclear Information System (INIS)

Barre, N.; Mercier-Bion, F.; Reiller, P.

2004-01-01

X-ray photoelectron spectroscopy (XPS) results on the characterisation of the HUPA organic materials, i.e. natural humic substances ''GOHY 573'' (fulvic acid FA and humic acid HA) extracted from the Gorleben ground waters, and synthetic humic acids ''M1'' and ''M42'' obtained from a standard melanoidin preparation from FZ Rossendorf, are presented in this paper. XPS investigations were focused on the determination of the chemical environment of the major elements as carbon, nitrogen, oxygen and sulphur, and on the identification of trace metals trapped by these organic compounds. (orig.)

AUTOMATED ANALYSIS OF AQUEOUS SAMPLES CONTAINING PESTICIDES, ACIDIC/BASIC/NEUTRAL SEMIVOLATILES AND VOLATILE ORGANIC COMPOUNDS BY SOLID PHASE EXTRACTION COUPLED IN-LINE TO LARGE VOLUME INJECTION GC/MS

Science.gov (United States)

Data is presented on the development of a new automated system combining solid phase extraction (SPE) with GC/MS spectrometry for the single-run analysis of water samples containing a broad range of organic compounds. The system uses commercially available automated in-line 10-m...

Degradation of organic pollutants and characteristics of activated sludge in an anaerobic/anoxic/oxic reactor treating chemical industrial wastewater

Directory of Open Access Journals (Sweden)

Dong Wang

2014-09-01

Full Text Available A laboratory-scale anaerobic/anoxic/oxic system operated at the hydraulic retention times (HRT of 20, 40, and 60 h with mixed liquor suspended solids (MLSS concentrations of 3 g/L and 6 g/L was considered for treating chemical industrial wastewater rich in complex organic compounds and total dissolved solids. Extending the HRT and increasing the MLSS concentration resulted in higher removal efficiency for chemical oxygen demand at 72%. Organic compounds in wastewater could be classified into easily-removed and refractory compounds during treatment. The easily-removed compounds consisted primarily of ethers, alcohols, and aldehydes, whereas the refractory compounds included mainly oxygen-containing heterocyclic and benzene-containing compounds. Results from energy-dispersive X-ray spectroscopy showed that several metal ions accumulated in activated sludge, particularly Fe(III. Fe accumulated mainly on the surface of sludge floc pellets and resulted in the compactness of activated sludge, which caused the values of mixed liquor volatile suspended solids /MLSS and sludge volume index to decrease.

On the effects of organic matter and sulphur-containing compounds on the CCN activation of combustion particles

Directory of Open Access Journals (Sweden)

A. Petzold

2005-01-01

Full Text Available The European PartEmis project (Measurement and prediction of emissions of aerosols and gaseous precursors from gas turbine engines was focussed on the characterisation and quantification of exhaust emissions from a gas turbine engine. The combustion aerosol characterisation included on-line measurements of mass and number concentration, size distribution, mixing state, thermal stability of internally mixed particles, hygroscopicity, cloud condensation nuclei (CCN activation potential, and off-line analysis of chemical composition. Based on this extensive data set, the role of sulphuric acid coating and of the organic fraction of the combustion particles for the CCN activation was investigated. Modelling of CCN activation was conducted using microphysical and chemical properties obtained from the measurements as input data. Coating the combustion particles with water-soluble sulphuric acid, increases the potential CCN activation, or lowers the activation diameter, respectively. The adaptation of a Köhler model to the experimental data yielded coatings from 0.1 to 3 vol-% of water-soluble matter, which corresponds to an increase in the fraction of CCN-activated combustion particles from ≤10−4 to ≌10−2 at a water vapour saturation ratio Sw=1.006. Additional particle coating by coagulation of combustion particles and aqueous sulphuric acid particles formed by nucleation further reduces the CCN activation diameter. In contrast, particles containing a large fraction of non-volatile organic compounds grow significantly less at high relative humidity than particles with a lower content of non-volatile OC. The resulting reduction in the potential CCN activation with an increasing fraction of non-volatile OC becomes visible as a trend in the experimental data. While a coating of water-soluble sulphuric acid increases the potential CCN activation, or lowers the activation diameter, respectively, the non-volatile organic compounds, mainly found at

Determination of oxygen in uranium compounds using sulfur monochloride

International Nuclear Information System (INIS)

Baudin, G.; Besson, J.; Blum, P.L.; Tran-Van, Danh

1964-01-01

The authors have described in an other paper (Anal. Chim. Acta, in press) a method for oxygen determination in uranium compounds, in which the sample is attacked by sulfur monochloride. The present paper is concerned with the experimental aspects of the method: apparatus procedure. (authors) [fr

Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms

Energy Technology Data Exchange (ETDEWEB)

Guo, Lei, E-mail: cqglei@163.com [School of Material and Chemical Engieering, Tongren University, Tongren 554300 (China); Obot, Ime Bassey [Center of Research Excellence in Corrosion, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Zheng, Xingwen [Material Corrosion and Protection Key Laboratory of Sichuan province, Zigong 643000 (China); Shen, Xun [School of Material and Chemical Engieering, Tongren University, Tongren 554300 (China); Qiang, Yujie [Material Corrosion and Protection Key Laboratory of Sichuan province, Zigong 643000 (China); Kaya, Savaş; Kaya, Cemal [Department of Chemistry, Faculty of Science, Cumhuriyet University, Sivas 58140 (Turkey)

2017-06-01

Highlights: • We obtained the habit information of α-Fe obtained by the “Morphology” module. • The adsorption of pyrrole, furan, and thiophene on Fe(110) surface were studied by DFT calculations. • Our DFT modeling provided a reasonable micro-explanation to the empirical rule. - Abstract: Steel is an important material in industry. Adding heterocyclic organic compounds have proved to be very efficient for steel protection. There exists an empirical rule that the general trend in the inhibition efficiencies of molecules containing heteroatoms is such that O < N < S. However, an atomic-level insight into the inhibition mechanism is still lacked. Thus, in this work, density functional theory calculations was used to investigate the adsorption of three typical heterocyclic molecules, i.e., pyrrole, furan, and thiophene, on Fe(110) surface. The approach is illustrated by carrying out geometric optimization of inhibitors on the stable and most exposed plane of α-Fe. Some salient features such as charge density difference, changes of work function, density of states were detailedly described. The present study is helpful to understand the afore-mentioned experiment rule.

Multiple-heteroatom-containing sulfur compounds in a high sulfur coal

International Nuclear Information System (INIS)

Winans, R.E.; Neill, P.H.

1990-01-01

Flash vacuum pyrolysis of a high sulfur coal has been combined with high resolution mass spectrometry yielding information on aromatic sulfur compounds containing an additional heteroatom. Sulfur emission from coal utilization is a critical problem and in order to devise efficient methods for removing organic sulfur, it is important to know what types of molecules contain sulfur. A high sulfur Illinois No. 6 bituminous coal (Argonne Premium Coal Sample No. 3) was pyrolyzed on a platinum grid using a quartz probe inserted into a modified all glass heated inlet system and the products characterized by high resolution mass spectrometry (HRMS). A significant number of products were observed which contained both sulfur and an additional heteroatom. In some cases two additional heteroatoms were observed. These results are compared to those found in coal extracts and liquefaction products

Fracton pairing mechanism for unconventional superconductors: Self-assembling organic polymers and copper-oxide compounds

DEFF Research Database (Denmark)

Milovanov, A.V.; Juul Rasmussen, J.

2002-01-01

Self-assembling organic polymers and copper-oxide compounds are two classes of unconventional superconductors, whose challenging behavior does not comply with the traditional picture of Bardeen-Cooper-Schrieffer (BCS) superconductivity in regular crystals. In this paper, we propose a theoretical...... or holes) exchange fracton excitations, quantum oscillations of fractal lattices that mimic the complex microscopic organization of the unconventional superconductors. For the copper oxides, the superconducting transition temperature T-c as predicted by the fracton mechanism is of the order of similar to......150 K. We suggest that the marginal ingredient of the high-temperature superconducting phase is provided by fracton coupled holes that condensate in the conducting copper-oxygen planes owing to the intrinsic field-effect-transistor configuration of the cuprate compounds. For the gate...

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.

Gas Chromatographic-Ion Trap Mass Spectrometric Analysis of Volatile Organic Compounds by Ion-Molecule Reactions Using the Electron-Deficient Reagent Ion CCl{3/+}

Science.gov (United States)

Wang, Cheng-Zhong; Su, Yue; Wang, Hao-Yang; Guo, Yin-Long

2011-10-01

When using tetrachloromethane as the reagent gas in gas chromatography-ion trap mass spectrometry equipped with hybrid ionization source, the cation CCl{3/+} was generated in high abundance and further gas-phase experiments showed that such an electron-deficient reagent ion CCl{3/+} could undergo interesting ion-molecule reactions with various volatile organic compounds, which not only present some informative gas-phase reactions, but also facilitate qualitative analysis of diverse volatile compounds by providing unique mass spectral data that are characteristic of particular chemical structures. The ion-molecule reactions of the reagent ion CCl{3/+} with different types of compounds were studied, and results showed that such reactions could give rise to structurally diagnostic ions, such as [M + CCl3 - HCl]+ for aromatic hydrocarbons, [M - OH]+ for saturated cyclic ether, ketone, and alcoholic compounds, [M - H]+ ion for monoterpenes, M·+ for sesquiterpenes, [M - CH3CO]+ for esters, as well as the further fragment ions. The mechanisms of ion-molecule reactions of aromatic hydrocarbons, aliphatic ketones and alcoholic compounds with the reagent ion CCl{3/+} were investigated and proposed according to the information provided by MS/MS experiments and theoretical calculations. Then, this method was applied to study volatile organic compounds in Dendranthema indicum var. aromaticum and 20 compounds, including monoterpenes and their oxygen-containing derivatives, aromatic hydrocarbon and sesquiterpenes were identified using such ion-molecule reactions. This study offers a perspective and an alternative tool for the analysis and identification of various volatile compounds.

(Semi)volatile organic compounds and microbiological entities in snow during OASIS Barrow 2009

Science.gov (United States)

Ariya, P.; Kos, G.

2009-12-01

Gregor Kos (1), Nafissa Adechina (2), Dwayne Lutchmann (2) , Roya Mortazavi, and Parisa Ariya* (1), (2) (1) McGill University, Department of Atmospheric and Oceanic Sciences, 805 Sherbrooke Street West, Montreal, Quebec, H3A 2K6, Canada (2) McGill University, Department of Chemistry, 801 Sherbrooke Street West, Montreal, Quebec, H3A 2K6, Canada an active medium for the deposition of (semi-)volatile (bio)organic compounds. We collected surface snow samples during the OASIS Barrow campaign in March 2009 for analysis of semi-volatile organic compounds using solid phase microextraction and gas chromatography with mass spectrometric detection (SPME-GC/MS). Additioal gab samples were taken for analysis of non-methane hydrocarbons in air. More over, we analyzed for microbial species in air and snow. Identifed organic compounds covered a wide range of functionalities andmolecular weigts, including oxygenated reactive speces such as aldehydes (e.g., hexanal to decanal), alcohols (e.g., hexanol, octanol) and aromatic species (e.g., methyl- and ethylbenzenes). Quantification data for selected aromatic species are presented with concentrations in the upper ng/L range. We will present our preliminary data on microbiological species, and will discuss the potential mplications of the results for organic snow chemistry.

austenitic steel corrosion by oxygen-containing liquid sodium

International Nuclear Information System (INIS)

Rivollier, Matthieu

2017-01-01

France is planning to construct the 4. generation of nuclear reactors. They will use liquid sodium as heat transfer fluid and will be made of 316L(N) austenitic steel as structural materials. To guarantee optimal operation on the long term, the behavior of this steel must be verified. This is why corrosion phenomena of 316L(N) steel by liquid sodium have to be well-understood. Literature points out that several corrosion phenomena are possible. Dissolved oxygen in sodium definitely influences each of the corrosion phenomenon. Therefore, the austenitic steel corrosion in oxygen-containing sodium is proposed in this study. Thermodynamics data point out that sodium chromite formation on 316L(N) steel is possible in sodium containing roughly 10 μg.g -1 of oxygen for temperature lower than 650 C (reactor operating conditions).The experimental study shows that sodium chromite is formed at 650 C in the sodium containing 200 μg.g -1 of oxygen. At the same concentration and at 550 C, sodium chromite is clearly observed only for long immersion time (≥ 5000 h). Results at 450 C are more difficult to interpret. Furthermore, the steel is depleted in chromium in all cases.The results suggest the sodium chromite is dissolved in the sodium at the same time it is formed. Modelling of sodium chromite formation - approached by chromium diffusion in steel (in grain and grain boundaries -, and dissolution - assessed by transport in liquid metal - show that simultaneous formation and dissolution of sodium chromite is a possible mechanism able to explain our results. (author) [fr

Radiation sensitive polymers of oxygen-substituted maleimides and elements containing same

International Nuclear Information System (INIS)

Wilson, J.C.

1977-01-01

Radiation sensitive polymers comprising from about 1 to 100 mole % of a polymerized maleimide monomer consisting of a hydrocarbon group having from 2 to 20 carbon atoms, preferably a bridged hydrocarbon group having from 6 to 10 carbon atoms and from 0 to about 99 mole % of at least one additional polymerized ethylenically unsaturated monomer are described. The polymers are soluble in organic solvents, possess desirably high glass transition temperatures and are capable of undergoing a photochemical reaction to yield polymers having isocyanate and oxy-substituted cyclopropane moieties which are capable of crosslinking in the presence of active hydrogen-containing compounds. The polymers are useful in radiation sensitive compositions and elements containing same

Temperature and oxygenation during organ preservation: friends or foes?

Science.gov (United States)

Gilbo, Nicholas; Monbaliu, Diethard

2017-06-01

The liberalization of donor selection criteria in organ transplantation, with the increased use of suboptimal grafts, has stimulated interest in ischemia-reperfusion injury prevention and graft reconditioning. Organ preservation technologies are changing considerably, mostly through the reintroduction of dynamic machine preservation. Here, we review the current evidence on the role of temperature and oxygenation during dynamic machine preservation. A large but complex body of evidence exists and comparative studies are few. Oxygenation seems to support an advantageous effect in hypothermic machine preservation and is mandatory in normothermic machine preservation, although in the latter, supraphysiological oxygen tensions should be avoided. High-risk grafts, such as suboptimal organs, may optimally benefit from oxygenated perfusion conditions that support metabolism and activate mechanisms of repair such as subnormothermic machine preservation, controlled oxygenated rewarming, and normothermic machine preservation. For lower risk grafts, oxygenation during hypothermic machine preservation may sufficiently reduce injuries and recharge the cellular energy to secure functional recovery after transplantation. The relationship between temperature and oxygenation in organ preservation is more complex than physiological laws would suggest. Rather than one default perfusion temperature/oxygenation standard, perfusion protocols should be tailored for specific needs of grafts of different quality.

Two new POMOF compounds constructed from polyoxoanions, metals and organic ligands

Science.gov (United States)

Xiao, Li-Na; Zhang, Hao; Zhang, Ting-Ting; Zhang, Xiao; Cui, Xiao-Bing

2018-03-01

Two new POMOF compounds, namely [PMo12V2O42][Cu3(4,4'-bpy)3]·(DABCO) (1) and [PMo10V4O42][Cu2(4,4'-bpy)2][Cu(phen)2]2 (2) (DABCO = triethylenediamine, bpy = bipyridine, phen = 1,10-phenanthroline)), have been synthesized and characterized by IR, UV-Vis, XRD, elemental analysis and X-ray diffraction analysis. Crystal structure analyses reveal that compounds 1 and 2 exhibit novel 2-D layered framework structures constructed from bi-capped Keggin molybdenum-vanadium polyoxoanions, metals and organic ligands, respectively. The main difference of the two compounds is that compound 2 contains both Cu2+ and Cu+ complexes. In addition, we also investigate the catalytic properties of the two compounds, both compound 1 and 2 are excellent catalysts for the epoxidation of styrene.

Chemisorption of organic iodine compounds forming from fission isotopes of radioactive iodine

International Nuclear Information System (INIS)

Tot, G.; Galina, F.; Zel'd, E.

1977-01-01

Studied is ethyl iodine adsorption, labelled by iodine 131, on palladium black and on aluminium oxide activized by palladium. The desorption of adsorbed iodine in the temperature range of 20-600 deg C by the mass spectroscopy and thermal gravimetric methods was investigated. At the ethyl iodine and palladium interaction the bond between carbon and iodine in the ethyl iodine molecule breaks down and extracting iodine reacts with palladium, forming a stable compound at high temperatures. Desorption of adsorbed iodine is insignificant up to the temperatures of 250-300 deg C. Thus, sorbents, containing palladium, may be successfully applied for iodine absorption from the organic iodine compounds. These compounds spontaneously appear from the iodine fragment ratio isotopes during their interaction with some environmental organic impurities

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.

Adsorptive performance of chromium-containing ordered mesoporous silica on volatile organic compounds (VOCs

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Jianwei Fan

2017-09-01

Full Text Available Volatile organic compounds (VOCs are the primary poisonous emissions into the atmosphere in natural gas exploitation and disposing process. The adsorption method has been widely applied in actual production because of its good features such as low cost, low energy consumption, flexible devices needed, etc. The commonly used adsorbents like activated carbon, silicon molecular sieves and so on are not only susceptible to plugging or spontaneous combustion but difficult to be recycled. In view of this, a new adsorbent (CrSBA15 was made by the co-assembly method to synthesize the ordered mesoporous silica materials with different amounts of chromium to eliminate VOCs. This new adsorbent was characterized by small-angle-X-ray scattering (SAXS, nitrogen adsorption/desorption, scanning electron microscopy (SEM, and transmission electron microscopy (TEM. Its adsorption performance to eliminate VOCs (toluene, benzene, cyclohexane and ethyl acetate used as typical pollutants was also tested systematically. Research results indicate that this new adsorbent of CrSBA-15(30, with the silicon/chromium ration being 30, owns the maximum micropore volume, and shows a higher adsorption performance in eliminating toluene, benzene, cyclohexane and ethyl acetate. Besides, it is cost-effective and much easier to be recycled than the activated carbon. In conclusion, CrSBA-15(30 is a good adsorbent to eliminate VOCs with broad application prospects. Keywords: Mesoporous materials, Silicon dioxide, Synthesis, Adsorption, Volatile organic compounds (VOCs, Recyclability, Energy saving

Microbial transformations of natural organic compounds and radionuclides in subsurface environments

International Nuclear Information System (INIS)

Francis, A.J.

1985-10-01

A major national concern in the subsurface disposal of energy wastes is the contamination of ground and surface waters by waste leachates containing radionuclides, toxic metals, and organic compounds. Microorganisms play an important role in the transformation of organic compounds, radionuclides, and toxic metals present in the waste and affect their mobility in subsurface environments. Microbial processes involved in dissolution, mobilization, and immobilization of toxic metals under aerobic and anaerobic conditions are briefly reviewed. Metal complexing agents and several organic acids produced by microbial action affect mobilization of radionuclides and toxic metals in subsurface environments. Information on the persistence of and biodegradation rates of synthetic as well as microbiologically produced complexing agents is scarce but important in determining the mobility of metal organic complexes in subsoils. Several gaps in knowledge in the area of microbial transformation of naturally occurring organics, radionuclides, and toxic metals have been identified, and further basic research has been suggested. 31 refs., 1 fig., 3 tabs

Surface microlayer enrichment of volatile organic compounds and semi-volatile organic compounds in drinking water source.

Science.gov (United States)

Huang, Zhi; Zhou, Wen; Yu, Ya-juan; Zhang, Ai-qian; Han, Shuo-kui; Wang, Lian-sheng

2004-01-01

Enrichment of volatile organic compounds(VOC) and semi-volatility organic compounds(SVOC) in surface microlayer(SM) of three drinking water sources were studied. The enrichment factor(EFs) were 0.67 to 13.37 and 0.16 to 136, respectively. The results showed some VOC and most SVOC could enrich in SM. Some EFs of SVOC was quite high. Suspension and temperature could affect EFs of SVOC, slim wind and water movement do not destroy enrichment of organic in SM.

New hydrotalcite-like compounds containing yttrium

Energy Technology Data Exchange (ETDEWEB)

Fernandez, J.M.; Barriga, C.; Ulibarri, M.A. [Universidad de Cordoba (Spain)] [and others

1997-01-01

The synthesis of hydrotalcite-type compounds containing yttrium was carried out by the coprecipitation of Mg(II), Al(III), and Y(III) cations at 60 degrees C with strong alkaline solutions. Thermal treatments were applied and changes studied.

The modification of nanocomposite hybrid polymer surfaces by exposure to oxygen containing plasmas

Science.gov (United States)

Figueiredo, Ashley; Zimmermann, Katherine; Augustine, Brian; Hughes, Chris; Chusuei, Charles

2006-11-01

The wetting properties of the surfaces of the nanocomposite hybrid polymer poly[(propylmethacryl-heptaisobutyl- polyhedral oligomeric silsequioxane)-co-(methylmethacrylate)] (POSS-PMMA)has been studied before and after exposure to plasmas containing oxygen. The contact angle of water droplets on the surface showed a substantial decrease after plasma exposure indicating an increase in the hydrophilicity of the surface. A model was developed in which the plasma preferentially removed organic material including both the PMMA backbone and isobutyl groups from the corners of the POSS cages leaving behind a surface characterized by the silicon oxide-like POSS material. Measurements of surface concentrations of oxygen, silicon, and carbon by x-ray photoelectron spectroscopy (XPS) showed an increase in the amount of oxygen and silicon compared to carbon and the appropriate chemical shifts were observed in the XPS data to support the model of Si-O enrichment on the surface. Variable angle spectroscopic ellipsometry (VASE) and atomic force microscopy (AFM) measurements also supported the model and these results will be presented.

Organic halogen compounds in the environment

International Nuclear Information System (INIS)

1979-07-01

There are 20 research reports on selected problems concerning the analysis, the occurence, and the behaviour of a wide spectrum of organic halogen compounds. The work was carried out in the framework of the project 'Organic Halogen Compounds in the Environment', financed by the BMFT, between 1975 and 1978. (orig.) [de

Hygroscopic growth and critical supersaturations for mixed aerosol particles of inorganic and organic compounds of atmospheric relevance

Directory of Open Access Journals (Sweden)

B. Svenningsson

2006-01-01

Full Text Available The organic fraction of atmospheric aerosols contains a multitude of compounds and usually only a small fraction can be identified and quantified. However, a limited number of representative organic compounds can be used to describe the water-soluble organic fraction. In this work, initiated within the EU 5FP project SMOCC, four mixtures containing various amounts of inorganic salts (ammonium sulfate, ammonium nitrate, and sodium chloride and three model organic compounds (levoglucosan, succinic acid and fulvic acid were studied. The interaction between water vapor and aerosol particles was studied at different relative humidities: at subsaturation using a hygroscopic tandem differential mobility analyzer (H-TDMA and at supersaturation using a cloud condensation nuclei spectrometer (CCN spectrometer. Surface tensions as a function of carbon concentrations were measured using a bubble tensiometer. Parameterizations of water activity as a function of molality, based on hygroscopic growth, are given for the pure organic compounds and for the mixtures, indicating van't Hoff factors around 1 for the organics. The Zdanovskii-Stokes-Robinson (ZSR mixing rule was tested on the hygroscopic growth of the mixtures and it was found to adequately explain the hygroscopic growth for 3 out of 4 mixtures, when the limited solubility of succinic acid is taken into account. One mixture containing sodium chloride was studied and showed a pronounced deviation from the ZSR mixing rule. Critical supersaturations calculated using the parameterizations of water activity and the measured surface tensions were compared with those determined experimentally.

λ5-Phosphorus-Containing α-Diazo Compounds: A Valuable Tool for Accessing Phosphorus-Functionalized Molecules.

Science.gov (United States)

Marinozzi, Maura; Pertusati, Fabrizio; Serpi, Michaela

2016-11-23

The compounds characterized by the presence of a λ 5 -phosphorus functionality at the α-position with respect to the diazo moiety, here referred to as λ 5 -phosphorus-containing α-diazo compounds (PCDCs), represent a vast class of extremely versatile reagents in organic chemistry and are particularly useful in the preparation of phosphonate- and phosphinoxide-functionalized molecules. Indeed, thanks to the high reactivity of the diazo moiety, PCDCs can be induced to undergo a wide variety of chemical transformations. Among them are carbon-hydrogen, as well as heteroatom-hydrogen insertion reactions, cyclopropanation, ylide formation, Wolff rearrangement, and cycloaddition reactions. PCDCs can be easily prepared from readily accessible precursors by a variety of different methods, such as diazotization, Bamford-Stevens-type elimination, and diazo transfer reactions. This evidence along with their relative stability and manageability make them appealing tools in organic synthesis. This Review aims to demonstrate the ongoing utility of PCDCs in the modern preparation of different classes of phosphorus-containing compounds, phosphonates, in particular. Furthermore, to address the lack of precedent collective papers, this Review also summarizes the methods for PCDCs preparation.

Anti-photoaging and Photoprotective Compounds Derived from Marine Organisms

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Ramjee Pallela

2010-04-01

Full Text Available Marine organisms form a prominent component of the oceanic population, which significantly contribute in the production of cosmeceutical and pharmaceutical molecules with biologically efficient moieties. In addition to the molecules of various biological activities like anti-bacterial, anti-cancerous, anti-inflammatory and anti-oxidative etc., these organisms also produce potential photoprotective or anti-photoaging agents, which are attracting present day researchers. Continuous exposure to UV irradiation (both UV-A and UV-B leads to the skin cancer and other photoaging complications, which are typically mediated by the reactive oxygen species (ROS, generated in the oxidative pathways. Many of the anti-oxidative and anti-photoaging compounds have been identified previously, which work efficiently against photodamage of the skin. Recently, marine originated photoprotective or anti-photoaging behavior was observed in the methanol extracts of Corallina pilulifera (CPM. These extracts were found to exert potent antioxidant activity and protective effect on UV-A-induced oxidative stress in human dermal fibroblast (HDF cells by protecting DNA and also by inhibiting matrix metalloproteinases (MMPs, a key component in photoaging of the skin due to exposure to UV-A. The present review depicts various other photoprotective compounds from algae and other marine sources for further elaborative research and their probable use in cosmeceutical and pharmaceutical industries.

BASIC SYNTHESIS AND BIOLOGICAL ACTIVITY OF SOME PHOSPHORCONTATNING ORGANIC COMPOUNDS CONTAINING FRAGMENTS OF UREA AND TRYHLORETILAMID

OpenAIRE

Gushylyk B.

2013-01-01

Data about directions of synthesis and use of the phosphororganic compounds in technics, biology and medicine is presented in the paper. Antimicrobial activity of 51 phosphororganic salts and ilides containing urine and threechlor ethylenamide has been studied. Perspective of the development of effective antimicrobial substances has been determined

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.

Boron-containing organic pigments from a Jurassic red alga.

Science.gov (United States)

Wolkenstein, Klaus; Gross, Jürgen H; Falk, Heinz

2010-11-09

Organic biomolecules that have retained their basic chemical structures over geological periods (molecular fossils) occur in a wide range of geological samples and provide valuable paleobiological, paleoenvironmental, and geochemical information not attainable from other sources. In rare cases, such compounds are even preserved with their specific functional groups and still occur within the organisms that produced them, providing direct information on the biochemical inventory of extinct organisms and their possible evolutionary relationships. Here we report the discovery of an exceptional group of boron-containing compounds, the borolithochromes, causing the distinct pink coloration of well-preserved specimens of the Jurassic red alga Solenopora jurassica. The borolithochromes are characterized as complicated spiroborates (boric acid esters) with two phenolic moieties as boron ligands, representing a unique class of fossil organic pigments. The chiroptical properties of the pigments unequivocally demonstrate a biogenic origin, at least of their ligands. However, although the borolithochromes originated from a fossil red alga, no analogy with hitherto known present-day red algal pigments was found. The occurrence of the borolithochromes or their possible diagenetic products in the fossil record may provide additional information on the classification and phylogeny of fossil calcareous algae.

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.

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

International Nuclear Information System (INIS)

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

1991-10-01

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

Quantitative prediction of solvation free energy in octanol of organic compounds.

Science.gov (United States)

Delgado, Eduardo J; Jaña, Gonzalo A

2009-03-01

The free energy of solvation, DeltaGS0, in octanol of organic compounds is quantitatively predicted from the molecular structure. The model, involving only three molecular descriptors, is obtained by multiple linear regression analysis from a data set of 147 compounds containing diverse organic functions, namely, halogenated and non-halogenated alkanes, alkenes, alkynes, aromatics, alcohols, aldehydes, ketones, amines, ethers and esters; covering a DeltaGS0 range from about -50 to 0 kJ.mol(-1). The model predicts the free energy of solvation with a squared correlation coefficient of 0.93 and a standard deviation, 2.4 kJ.mol(-1), just marginally larger than the generally accepted value of experimental uncertainty. The involved molecular descriptors have definite physical meaning corresponding to the different intermolecular interactions occurring in the bulk liquid phase. The model is validated with an external set of 36 compounds not included in the training set.

BASIC SYNTHESIS AND BIOLOGICAL ACTIVITY OF SOME PHOSPHORCONTATNING ORGANIC COMPOUNDS CONTAINING FRAGMENTS OF UREA AND TRYHLORETILAMID

Directory of Open Access Journals (Sweden)

Gushylyk B.

2013-10-01

Full Text Available Data about directions of synthesis and use of the phosphororganic compounds in technics, biology and medicine is presented in the paper. Antimicrobial activity of 51 phosphororganic salts and ilides containing urine and threechlor ethylenamide has been studied. Perspective of the development of effective antimicrobial substances has been determined

Radiolysis of other organic compounds

International Nuclear Information System (INIS)

Pikaev, A.K.

1986-01-01

Peculiarities of radiolysis of organic halogen, phosphorus, sulfur and nitrogen (including amines, amides, nitriles et al.) compounds in liquid phase are discussed. Intermediate and stable finish products of radiolysis of the given compounds, properties and radiochemical yields of these products are considered

Azo compounds as a family of organic electrode materials for alkali-ion batteries.

Science.gov (United States)

Luo, Chao; Borodin, Oleg; Ji, Xiao; Hou, Singyuk; Gaskell, Karen J; Fan, Xiulin; Chen, Ji; Deng, Tao; Wang, Ruixing; Jiang, Jianjun; Wang, Chunsheng

2018-02-27

Organic compounds are desirable for sustainable Li-ion batteries (LIBs), but the poor cycle stability and low power density limit their large-scale application. Here we report a family of organic compounds containing azo group (N=N) for reversible lithiation/delithiation. Azobenzene-4,4'-dicarboxylic acid lithium salt (ADALS) with an azo group in the center of the conjugated structure is used as a model azo compound to investigate the electrochemical behaviors and reaction mechanism of azo compounds. In LIBs, ADALS can provide a capacity of 190 mAh g -1 at 0.5 C (corresponding to current density of 95 mA g -1 ) and still retain 90%, 71%, and 56% of the capacity when the current density is increased to 2 C, 10 C, and 20 C, respectively. Moreover, ADALS retains 89% of initial capacity after 5,000 cycles at 20 C with a slow capacity decay rate of 0.0023% per cycle, representing one of the best performances in all organic compounds. Superior electrochemical behavior of ADALS is also observed in Na-ion batteries, demonstrating that azo compounds are universal electrode materials for alkali-ion batteries. The highly reversible redox chemistry of azo compounds to alkali ions was confirmed by density-functional theory (DFT) calculations. It provides opportunities for developing sustainable batteries.

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

Directory of Open Access Journals (Sweden)

Y. Li

2016-03-01

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

Iodometric microdetermination of phosphorus in organic compounds by use of An amplification reaction

OpenAIRE

Al Kubaisi, A. H. [عبد الله حسين الكبيسي; Farag, A. B.; Amin, R. R.

1994-01-01

A high chemical amplification method is described for the iodometric microdetermination of phosphorus in organic compounds. This method depends on combustion by the oxygen flask, absorption of the combustion products in distilled water and conversion to orthophosphoric acid with bromine water. The phosphoric acid produced is then allowed to react with sodium molybdate in acid medium to form phosphomolybdic acid which is extracted into a mixture of diethyl ether and pentanol (5:1, V/V), and ba...

Polycarbonyl(quinonyl) organic compounds as cathode materials for sustainable lithium ion batteries

International Nuclear Information System (INIS)

Zeng, Ronghua; Xing, Lidan; Qiu, Yongcai; Wang, Yating; Huang, Wenna; Li, Weishan; Yang, Shihe

2014-01-01

Highlights: • Quinonyl compounds containing –OH groups are reported as cathode of sustainable Li-ion battery. • Lithiation potential of these compounds is positively correlated to -OH group number on them. • These compounds exhibit a discharge plateau of 3 V and deliver a capacity of over 180 mAh g -1 at 20 mA g -1 . - Abstract: Suitably designed organic compounds are promising renewable electrode materials for lithium ion batteries (LIBs) with minimal environmental impacts and no CO 2 release. Herein we report a series of polycarbonyl organic compounds with different number of hydroxyl groups, which can be obtained from renewable plants, as cathode materials for LIBs. Density functional theory (DFT) calculations based on the natural bond orbital (NBO) reveal a positive correlation between the reduction potentials and the number of hydroxyl groups, which is borne out experimentally. Anthraquinone (AQ) with three or four -OH groups has the structural advantages for improving the discharge plateaus. Mechanistic studies show that AQ containing neighbouring carbonyl groups and hydroxyl groups facilitates the formation of six or five-membered rings with lithium ion. Charge/discharge tests show that AQ, 1,5-DHAQ, 1,2,7-THAQ, and 1,2,5,8-THAQ can achieve initial discharge capacities of 215, 190, 186 and 180 mAh g -1 at a current density of 20 mA g -1 , corresponding to 84%, 85%, 89% and 91% of their theoretical capacities, respectively

Sorption interactions of organic compounds with soils affected by agricultural olive mill wastewater.

Science.gov (United States)

Keren, Yonatan; Borisover, Mikhail; Bukhanovsky, Nadezhda

2015-11-01

The organic compound-soil interactions may be strongly influenced by changes in soil organic matter (OM) which affects the environmental fate of multiple organic pollutants. The soil OM changes may be caused by land disposal of various OM-containing wastes. One unique type of OM-rich waste is olive mill-related wastewater (OMW) characterized by high levels of OM, the presence of fatty aliphatics and polyphenolic aromatics. The systematic data on effects of the land-applied OMW on organic compound-soil interactions is lacking. Therefore, aqueous sorption of simazine and diuron, two herbicides, was examined in batch experiments onto three soils, including untreated and OMW-affected samples. Typically, the organic compound-soil interactions increased following the prior land application of OMW. This increase is associated with the changes in sorption mechanisms and cannot be attributed solely to the increase in soil organic carbon content. A novel observation is that the OMW application changes the soil-sorbent matrix in such a way that the solute uptake may become cooperative or the existing ability of a soil sorbent to cooperatively sorb organic molecules from water may become characterized by a larger affinity. The remarkable finding of this study was that in some cases a cooperative uptake of organic molecules by soils makes itself evident in distinct sigmoidal sorption isotherms rarely observed in soil sorption of non-ionized organic compounds; the cooperative herbicide-soil interactions may be characterized by the Hill model coefficients. However, no single trend was found for the effect of applied OMW on the mechanisms of organic compound-soil interactions. Copyright © 2015 Elsevier Ltd. All rights reserved.

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.)

β-diketones containing oxygen atom in fluorinated radical

International Nuclear Information System (INIS)

Shivanyuk, A.F.; Kudryavtseva, L.S.; Lozinskij, M.O.; Neplyuev, V.M.; Fialkov, Yu.A.; Bratolyubova, A.G.

1981-01-01

The synthesis of a number of new aliphatic fluorinated β- diketones containing oxygen atom in fluorinated radical of linear or cyclic structure is described. The reaction of combination with aryldiazonium salts resulting in the formation of corresponding arylhydrazones of fluorinated triketones is studied. It is shown that as a result of arylhydrazone condensation with hydroxylamine, hydrazine and its substituted derivatives the fluorine-containing derivatives of isoxazol and pyrazol are formed [ru

beta. -diketones containing oxygen atom in fluorinated radical

Energy Technology Data Exchange (ETDEWEB)

Shivanyuk, A.F.; Kudryavtseva, L.S.; Lozinskij, M.O.; Neplyuev, V.M.; Fialkov, Yu.A.; Bratolyubova, A.G. (AN Ukrainskoj SSR, Kiev. Inst. Organicheskoj Khimii)

1981-10-01

The synthesis of a number of new aliphatic fluorinated ..beta..-diketones containing oxygen atom in fluorinated radical of linear or cyclic structure is described. The reaction of combination with aryldiazonium salts resulting in the formation of corresponding arylhydrazones of fluorinated triketones is studied. It is shown that as a result of arylhydrazone condensation with hydroxylamine, hydrazine and its substituted derivatives the fluorine-containing derivatives of isoxazol and pyrazol are formed.

Distribution of volatile organic compounds over a semiconductor Industrial Park in Taiwan.

Science.gov (United States)

Chiu, Kong-Hwa; Wu, Ben-Zen; Chang, Chih-Chung; Sree, Usha; Lo, Jiunn-Guang

2005-02-15

This study examined volatile organic compounds (VOC) concentration in ambient air collected during the years 2000--2003 at several different locations of Hsinchu Science-based Industrial Park (HSIP) in Taiwan. A canister automated GC-MS system analyzed the volatile organics in ambient air grasp samples according to T0-15 method. Oxygenated volatiles were the most abundant VOC detected in HSIP followed by aromatics that are commonly used as solvents in the semiconductor industries. The major components measured in the ambient air are 2-propanol (29-135 ppbv), acetone (12-164 ppbv), benzene (0.7-1.7 ppbv), and toluene (13-20 ppbv). At some of the sampling locations, odorous compounds such as carbon disulfide and dimethyl sulfide levels exceed threshold values. The estimated toluene/benzene ratio is very high at most of the sites. However, the total amount of VOC is reduced over the years from 2000 to 2003 due to strict implementation on use and discharge of solvents in industries. There exists no definite seasonal pattern for sporadic occurrence of high levels of some of the volatile organics. Stagnant weather conditions with low wind speeds aid accumulation of toxic species at ground level. The results entail that hi-tech semiconductor industries are still a potential source for harmful organic substances to surrounding microenvironment.

Oxygen potential of a prototypic Mo-cermet fuel containing plutonium oxide

Energy Technology Data Exchange (ETDEWEB)

Miwa, Shuhei, E-mail: miwa.shuhei@jaea.go.jp [Japan Atomic Energy Agency, 4002 Narita-cho, Oarai-machi, Higashiibaraki-gun, Ibaraki, 311-1393 (Japan); Osaka, Masahiko [Japan Atomic Energy Agency, 4002 Narita-cho, Oarai-machi, Higashiibaraki-gun, Ibaraki, 311-1393 (Japan); Nozaki, Takahiro; Arima, Tatsumi; Idemitsu, Kazuya [Kyushu University, 744 Motooka Nishi-ku, Fukuoka, 819-0395 (Japan)

2015-10-15

Oxygen potential of a prototypic Mo-cermet fuel containing 50 vol.% PuO{sub 2−x} were investigated by the thermogravimetric analysis in the temperature range from 1273 K to 1473 K. It was shown that the oxygen potential and oxidation rate of the Mo-cermet were the same as those of pure PuO{sub 2−x} below the oxygen potential of Mo/MoO{sub 2} oxidation reaction. The same features of the Mo-cermet sample containing 50 vol.% PuO{sub 2−x} with those of pure PuO{sub 2−x} were discussed in terms of the microstructure. - Highlights: • Oxygen potential of Mo-cermet fuel was investigated by thermogravimetric analysis. • It was the same as that of pure PuO{sub 2−x} below the oxygen potential for Mo/MoO{sub 2}. • Gradual oxidation of Mo matrix occurred only above the oxygen potential for Mo/MoO{sub 2}. • Mo matrix and PuO{sub 2−x} in Mo-cermet fuel can thus be thermochemically individual.

Oxygen potential of a prototypic Mo-cermet fuel containing plutonium oxide

International Nuclear Information System (INIS)

Miwa, Shuhei; Osaka, Masahiko; Nozaki, Takahiro; Arima, Tatsumi; Idemitsu, Kazuya

2015-01-01

Oxygen potential of a prototypic Mo-cermet fuel containing 50 vol.% PuO_2_−_x were investigated by the thermogravimetric analysis in the temperature range from 1273 K to 1473 K. It was shown that the oxygen potential and oxidation rate of the Mo-cermet were the same as those of pure PuO_2_−_x below the oxygen potential of Mo/MoO_2 oxidation reaction. The same features of the Mo-cermet sample containing 50 vol.% PuO_2_−_x with those of pure PuO_2_−_x were discussed in terms of the microstructure. - Highlights: • Oxygen potential of Mo-cermet fuel was investigated by thermogravimetric analysis. • It was the same as that of pure PuO_2_−_x below the oxygen potential for Mo/MoO_2. • Gradual oxidation of Mo matrix occurred only above the oxygen potential for Mo/MoO_2. • Mo matrix and PuO_2_−_x in Mo-cermet fuel can thus be thermochemically individual.

Neurotoxicity of fungal volatile organic compounds in Drosophila melanogaster.

Science.gov (United States)

Inamdar, Arati A; Masurekar, Prakash; Bennett, Joan Wennstrom

2010-10-01

Many volatile organic compounds (VOCs) are found in indoor environment as products of microbial metabolism. In damp indoor environments, fungi are associated with poor air quality. Some epidemiological studies have suggested that microbial VOCs have a negative impact on human health. Our study was designed to provide a reductionist approach toward studying fungal VOC-mediated toxicity using the inexpensive model organism, Drosophila melanogaster, and pure chemical standards of several important fungal VOCs. Low concentrations of the following known fungal VOCs, 0.1% of 1-octen-3-ol and 0.5% of 2-octanone; 2,5 dimethylfuran; 3-octanol; and trans-2-octenal, caused locomotory defects and changes in green fluorescent protein (GFP)- and antigen-labeled dopaminergic neurons in adult D. melanogaster. Locomotory defects could be partially rescued with L-DOPA. Ingestion of the antioxidant, vitamin E, improved the survival span and delayed the VOC-mediated changes in dopaminergic neurons, indicating that the VOC-mediated toxicity was due, in part, to generation of reactive oxygen species.

Growth of anodic oxide films on oxygen-containing niobium

Energy Technology Data Exchange (ETDEWEB)

Habazaki, H. [Graduate School of Engineering, Hokkaido University, Sapporo 060-8628 (Japan)]. E-mail: habazaki@eng.hokudai.ac.jp; Ogasawara, T. [Graduate School of Engineering, Hokkaido University, Sapporo 060-8628 (Japan); Konno, H. [Graduate School of Engineering, Hokkaido University, Sapporo 060-8628 (Japan); Shimizu, K. [University Chemical Laboratory, Keio University, Yokohama 223-8522 (Japan); Asami, K. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Saito, K. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Nagata, S. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Skeldon, P. [Corrosion and Protection Centre, School of Materials, The University of Manchester, P.O. Box 88, Manchester M60 1QD (United Kingdom); Thompson, G.E. [Corrosion and Protection Centre, School of Materials, The University of Manchester, P.O. Box 88, Manchester M60 1QD (United Kingdom)

2005-09-20

The present study is directed at understanding of the influence of oxygen in the metal on anodic film growth on niobium, using sputter-deposited niobium containing from about 0-52 at.% oxygen, with anodizing carried out at high efficiency in phosphoric acid electrolyte. The findings reveal amorphous anodic niobia films, with no significant effect of oxygen on the field strength, transport numbers, mobility of impurity species and capacitance. However, since niobium is partially oxidized due to presence of oxygen in the substrate, less charge is required to form the films, hence reducing the time to reach a particular film thickness and anodizing voltage. Further, the relative thickness of film material formed at the metal/film interface is increased by the incorporation of oxygen species into the films from the substrate, with an associated altered depth of incorporation of phosphorus species into the films.

Deuterium enrichment by selective photo-induced dissociation of an organic carbonyl compound

International Nuclear Information System (INIS)

Marling, J.B.

1981-01-01

A deuterium-enriched material is produced by selective photoinduced dissociation of a gas phase organic carbonyl compound containing at least one hydrogen atom bonded to an atom adjacent to a carbonyl group. Alkyl carbonyl compounds such as acetone, acetaldehyde, trifluoroacetic acid, cyclobutanone, cyclopentanone, methyl acetate, 3,3-dimethyl-2-butanone, 2,4-pentanedione, and 4-methyl-2-pentanone are preferred. The carbonyl compound is subjected to intense infrared radiation from one laser, or two lasers operating at different frequencies, to selectively dissociate the deuterated molecules into stable products. The undissociated compound may be redeuterated by direct aqueous liquid phase H/D exchange, or by indirect liquid phase exchange using an alkanol in an intermediate step

Alteration of five organic compounds by glow discharge plasma and UV light under simulated Mars conditions

Science.gov (United States)

Hintze, Paul E.; Buhler, Charles R.; Schuerger, Andrew C.; Calle, Luz M.; Calle, Carlos I.

2010-08-01

The Viking missions to Mars failed to detect any organic material in regolith samples. Since then, several removal mechanisms of organic material have been proposed. Two of these proposed methods are removal due to exposure to plasmas created in dust devils and exposure to UV irradiation. The experiments presented here were performed to identify similarities between the two potential removal mechanisms and to identify any compounds produced from these mechanisms that would have been difficult for the Viking instruments to detect. Five organic compounds, phenanthrene, octadecane, octadecanoic acid, decanophenone and benzoic acid, were exposed to a glow discharge plasma created in simulated martian atmospheres as might be present in dust devils, and to UV irradiation similar to that found at the surface of Mars. Glow discharge exposure was carried out in a chamber with 6.9 mbar pressure of a Mars like gas composed mostly of carbon dioxide. The plasma was characterized using emission spectroscopy and found to contain cations and excited neutral species including carbon dioxide, carbon monoxide, and nitrogen. UV irradiation experiments were performed in a Mars chamber which simulates the temperature, pressure, atmospheric composition, and UV fluence rates of equatorial Mars. The non-volatile residues left after each exposure were characterized by mass loss, infrared spectroscopy and high resolution mass spectrometry. Oxidized, higher molecular weight versions of the parent compounds containing carbonyl, hydroxyl and alkenyl functional groups were identified. The presence of these oxidized compounds suggests that searches for organic material in soils on Mars use instrumentation suitable for detection of compounds which contain the above functional groups. Discussions of possible reaction mechanisms are given.

Genetic effects of organic mercury compounds

Energy Technology Data Exchange (ETDEWEB)

Ramel, C

1967-01-01

Organic mercury compounds have a c-mitotic effect on plant cells that cause polyploidi. Studies were performed on Allium root cells. These investigations involved methyl mercury dicyandiamide, methyl mercury hydroxide, and phenyl mercury hydroxide. The lowest concentration necessary for a cytologically observable effect was about 0.05 ppM Hg for the methyl compounds. For the phenyl compound, the value was lower. Experiments were performed on Drosophila melanogaster. The question was whether the mercury would reach the gonads. Experimental data with mercury treated larvae indicated a chromosome disjunction. Data indicated a preferential segregation at the meiotic division might be involved. Experiments are being performed on mice inbred (CBA) in order to investigate teratogenic effects and dominant lethality caused by organic mercury compounds. The mutagenic effects of these compounds are studied on Neurospora Drosophila. No conclusive data is now available.

Solid-phase synthesis of compounds of europium and terbium with nitrogen-containing heterocyclic compounds under mechanical activation

International Nuclear Information System (INIS)

Kalinovskaya, I.V.; Karasev, V.E.

2000-01-01

Effect of solvents and parameters of mechanical treatment on basic regularities of synthesis of rare earth compounds with nitrogen-containing heterocyclic compounds is studied. It is shown that interaction on europium (3) and terbium (3) nitrates with nitrogen-containing heterocyclic compounds leads to formation of compounds of Ln(NO 3 )·2D composition, where Ln=Eu, Tb; D=2,2-dipyridyl, 1,10-phenanthroline, diphenylguanidine. Effect of conditions of mechanical treatment and different additions on process and yield of products is studied. Compounds prepared are characterized by the methods of chemical element analysis, IR spectroscopy and luminescent spectroscopy [ru

Particulate metals and organic compounds from electronic and tobacco-containing cigarettes: comparison of emission rates and secondhand exposure.

Science.gov (United States)

Saffari, Arian; Daher, Nancy; Ruprecht, Ario; De Marco, Cinzia; Pozzi, Paolo; Boffi, Roberto; Hamad, Samera H; Shafer, Martin M; Schauer, James J; Westerdahl, Dane; Sioutas, Constantinos

2014-01-01

In recent years, electronic cigarettes have gained increasing popularity as alternatives to normal (tobacco-containing) cigarettes. In the present study, particles generated by e-cigarettes and normal cigarettes have been analyzed and the degree of exposure to different chemical agents and their emission rates were quantified. Despite the 10-fold decrease in the total exposure to particulate elements in e-cigarettes compared to normal cigarettes, specific metals (e.g. Ni and Ag) still displayed a higher emission rate from e-cigarettes. Further analysis indicated that the contribution of e-liquid to the emission of these metals is rather minimal, implying that they likely originate from other components of the e-cigarette device or other indoor sources. Organic species had lower emission rates during e-cigarette consumption compared to normal cigarettes. Of particular note was the non-detectable emission of polycyclic aromatic hydrocarbons (PAHs) from e-cigarettes, while substantial emission of these species was observed from normal cigarettes. Overall, with the exception of Ni, Zn, and Ag, the consumption of e-cigarettes resulted in a remarkable decrease in secondhand exposure to all metals and organic compounds. Implementing quality control protocols on the manufacture of e-cigarettes would further minimize the emission of metals from these devices and improve their safety and associated health effects.

[Research on source profile of aerosol organic compounds in leather plant].

Science.gov (United States)

Wang, Bo-Guang; Zhou, Yan; Feng, Zhi-Cheng; Liu, Hui-Xuan

2009-04-15

Through investigating current air pollution condition for PM10 in every factories of different style leather plants in Pearl River Delta, characteristic profile of semi-volatile organic compounds in PM10 emitted from leather factories and their contents were researched by using ultrasonic and gas chromatography and mass spectrum technology. The 6 types of organic compounds containing 46 species in total were found in the collected samples, including phenyl compounds, alcohols, PAHs, acids, esters and amides. The concentrations of PM10 in leather tanning plant, leather dying plant and man-made leather plant were 678.5, 454.5, 498.6 microgm x m(-3) respectively, and concentration of organic compounds in PM10 were 10.04, 6.89, 14.21 microg x m(-3) in sequence. The more important type of pollutants in each leather plants had higher contribution to total organic mass as follows, esters and amides in tanning plants profile account for 43.47% and 36.51% respectively; esters and alcohols in dying plants profiles account for 52.52% and 16.16% respectively; esters and amide in man-made leather plant have the highest content and account for 57.07% and 24.17% respectively. In the aerosol organic source profiles of tested leather plants, 9-octadecenamide was the abundant important species with the weight of 26.15% in tanning plant, and Bis(2-ethylhexyl) phthalate was up to 44.19% in the dying plant, and Bis(2-ethylhexyl) maleate and 1-hydroxy-piperidine had obviously higher weight in man-made plant than the other two plants.

An evaluation of volatile compounds released from containers commonly used in circulation of sports beverages.

Science.gov (United States)

Pandey, Sudhir Kumar; Kim, Ki-Hyun

2011-03-01

In an effort to identify and quantify important volatile organic compounds (VOCs) released from sports beverage containers commonly used for storage and distribution, three brands of sports beverages with poly ethylene terephthalate (PET) and metal cans were analyzed through headspace-solid phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS). Out of 80 volatile compounds identified from all container types, I-limonene recorded the highest concentration (34.3-118 pmol mol(-1)) along with 12 other VOCs detected most frequently (more than 3 out of all 6 products) such as 2-methyl-6-methylene-2,7-octadiene, alpha-terpineol, decanaldehyde, and p-isopropyltoluene. When each container was filled up with water and analyzed after a long-term storage (49 days), a total of 14 VOCs were detected. According to our analysis, all the VOCs detected from either beverage or container materials were below the safety limits prescribed previously by diverse agencies. However, an extension of these analyses may be necessary for other beverage types, as certain VOCs can be migrated from container materials. Copyright © 2010 Elsevier Inc. All rights reserved.

Organic compounds in radiation fogs in Davis (California)

Science.gov (United States)

Herckes, Pierre; Hannigan, Michael P.; Trenary, Laurie; Lee, Taehyoung; Collett, Jeffrey L.

New stainless steel active fogwater collectors were designed and used in Davis (CA, USA) to collect fogwater for the speciation of organic matter. Organic compounds in fog samples were extracted by liquid-liquid extraction and analyzed by gas chromatography coupled to mass spectrometry. Numerous organic compounds, including various alkanes, polycyclic aromatic hydrocarbons (PAH) and alkanoic acids, have been identified in the fogwater samples. Higher molecular weight (MW) compounds are preferentially associated with an insoluble phase inside the fog drops, whereas lower molecular weight and more polar compounds are found predominantly in the dissolved phase. Concentrations in the dissolved phase were sometimes much higher than estimated by the compounds' aqueous solubilities.

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

Malodorous volatile organic sulfur compounds: Sources, sinks and significance in inland waters.

Science.gov (United States)

Watson, Susan B; Jüttner, Friedrich

2017-03-01

Volatile Organic Sulfur Compounds (VOSCs) are instrumental in global S-cycling and greenhouse gas production. VOSCs occur across a diversity of inland waters, and with widespread eutrophication and climate change, are increasingly linked with malodours in organic-rich waterbodies and drinking-water supplies. Compared with marine systems, the role of VOSCs in biogeochemical processes is far less well characterized for inland waters, and often involves different physicochemical and biological processes. This review provides an updated synthesis of VOSCs in inland waters, focusing on compounds known to cause malodours. We examine the major limnological and biochemical processes involved in the formation and degradation of alkylthiols, dialkylsulfides, dialkylpolysulfides, and other organosulfur compounds under different oxygen, salinity and mixing regimes, and key phototropic and heterotrophic microbial producers and degraders (bacteria, cyanobacteria, and algae) in these environs. The data show VOSC levels which vary significantly, sometimes far exceeding human odor thresholds, generated by a diversity of biota, biochemical pathways, enzymes and precursors. We also draw attention to major issues in sampling and analytical artifacts which bias and preclude comparisons among studies, and highlight significant knowledge gaps that need addressing with careful, appropriate methods to provide a more robust understanding of the potential effects of continued global development.

Evaluating the mutagenic potential of aerosol organic compounds using informatics-based screening

Science.gov (United States)

Decesari, Stefano; Kovarich, Simona; Pavan, Manuela; Bassan, Arianna; Ciacci, Andrea; Topping, David

2018-02-01

Whilst general policy objectives to reduce airborne particulate matter (PM) health effects are to reduce exposure to PM as a whole, emerging evidence suggests that more detailed metrics associating impacts with different aerosol components might be needed. Since it is impossible to conduct toxicological screening on all possible molecular species expected to occur in aerosol, in this study we perform a proof-of-concept evaluation on the information retrieved from in silico toxicological predictions, in which a subset (N = 104) of secondary organic aerosol (SOA) compounds were screened for their mutagenicity potential. An extensive database search showed that experimental data are available for 13 % of the compounds, while reliable predictions were obtained for 82 %. A multivariate statistical analysis of the compounds based on their physico-chemical, structural, and mechanistic properties showed that 80 % of the compounds predicted as mutagenic were grouped into six clusters, three of which (five-membered lactones from monoterpene oxidation, oxygenated multifunctional compounds from substituted benzene oxidation, and hydroperoxides from several precursors) represent new candidate groups of compounds for future toxicological screenings. These results demonstrate that coupling model-generated compositions to in silico toxicological screening might enable more comprehensive exploration of the mutagenic potential of specific SOA components.

Toxicity assessment of volatile organic compounds and polycyclic aromatic hydrocarbons in motorcycle exhaust.

Science.gov (United States)

Chang, Chang-Tang; Chen, Bor-Yann

2008-05-30

This study investigates the toxicity of various pollutant species from motorcycle exhaust via dose-response analysis and margin of safety using Escherichia coli DH5 alpha. The toxicity evaluation of the major components of motorcycle exhaust volatile organic compounds (VOCs), collected with impinger, and polycyclic aromatic hydrocarbons (PAHs), collected with filter and XAD-2, is essential to determine emission standards for motorcycles. The toxicity of benzene (B), toluene (T), ethyl benzene (E) and xylene (X) was selected for comparison as standard VOCs emitted from motorcycles. In addition, three types of reformulated gasoline (high oxygenate and high benzene content (No. 1), low oxygen and high benzene (No. 2), and low oxygen and low benzene (No. 3) were prepared to reveal combined toxicity of individual compositions. Motorcycle exhaust is significantly more toxic than BTEX due to the highly toxic VOCs generated from incomplete combustion. Overall toxicity evaluation showed that the toxicity, indicated as EC50, was approximately as follows: PAHs>two-stroke engines>four-stroke engines>BTEX.

Toxicity assessment of volatile organic compounds and polycyclic aromatic hydrocarbons in motorcycle exhaust

International Nuclear Information System (INIS)

Chang, C.-T.; Chen, B.-Y.

2008-01-01

This study investigates the toxicity of various pollutant species from motorcycle exhaust via dose-response analysis and margin of safety using Escherichia coli DH5α. The toxicity evaluation of the major components of motorcycle exhaust volatile organic compounds (VOCs), collected with impinger, and polycyclic aromatic hydrocarbons (PAHs), collected with filter and XAD-2, is essential to determine emission standards for motorcycles. The toxicity of benzene (B), toluene (T), ethyl benzene (E) and xylene (X) was selected for comparison as standard VOCs emitted from motorcycles. In addition, three types of reformulated gasoline (high oxygenate and high benzene content (No. 1), low oxygen and high benzene (No. 2), and low oxygen and low benzene (No. 3) were prepared to reveal combined toxicity of individual compositions. Motorcycle exhaust is significantly more toxic than BTEX due to the highly toxic VOCs generated from incomplete combustion. Overall toxicity evaluation showed that the toxicity, indicated as EC 50 , was approximately as follows: PAHs > two-stroke engines > four-stroke engines > BTEX

Exposure to volatile organic compounds: Comparison among different transportation modes

Science.gov (United States)

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

2014-09-01

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

High organic containing tanks: Assessing the hazard potential

International Nuclear Information System (INIS)

Hill, R.C.P.; Babad, H.

1991-09-01

Eight Hanford Site tanks contain organic chemicals at concentrations believed to be greater than 10 mole percent sodium acetate equivalent mixed with the oxidizing salts sodium nitrate/sodium nitrite. Also, three of the hydrogen and ferrocyanide tanks appear on the organic tank list. Concentrations of organics that may be present in some tanks could cause an exothermic reaction given a sufficient driving force, such as high temperatures. However, the difference between ignition temperatures and actual tank temperatures measured is so large that the probability of such a reaction is considered very low. The consequences of the postulated reaction are about the same as the scenarios for an explosion in a ''burping'' hydrogen tank. Although work on this issue is just beginning, consideration of hazards associated with heating nitrate-nitrite mixtures containing organic materials is an integral part of both the hydrogen and ferrocyanide tank efforts. High concentrations of organic compounds have been inferred (from tank transfer, flow sheet records, and limited analytical data) in eight single-shell tanks. Many organic chemicals, if present in concentrations above 10 dry weight percent (sodium acetate equivalent), have the potential to react with nitrate-nitrites constituents at temperatures above 200 degree C (392 degree F) in an exothermic manner. The concentrations of organic materials in the listed single-shell tanks, and their chemical identity, is not accurately known at present. A tank sampling program has been planned to provide more information on the contents of these tanks and to serve as a basis for laboratory testing and safety evaluations. 2 refs., 1 fig., 2 tabs

Effect of organic load on decolourization of textile wastewater containing acid dyes in upflow anaerobic sludge blanket reactor

International Nuclear Information System (INIS)

Wijetunga, Somasiri; Li Xiufen; Jian Chen

2010-01-01

Textile wastewater (TW) is one of the most hazardous wastewater for the environment when discharged without proper treatment. Biological treatment technologies have shown encouraging results over the treatment of recalcitrant compounds containing wastewaters. Upflow anaerobic sludge blanket reactor (UASB) was evaluated in terms of colour and the reduction of chemical oxygen demand (COD) with different organic loads using TW containing dyes belonging to different chemical groups. The study was performed using six different dye concentrations (10 mg/L, 25 mg/L, 50 mg/L, 100 mg/L, 150 mg/L, 300 mg/L) with three COD levels (∼1000 mg/L, ∼2000 mg/L, ∼3000 mg/L). Decolourization, COD removal and reactor stability were monitored. Over 85% of colour removal was observed with all dye concentrations with three organic loads. Acid Red 131 and Acid Yellow 79 were decolourized through biodegradation while Acid Blue 204 was decolourized due to adsorption onto anaerobic granules. COD removal was high in all dye concentrations, regardless of co-substrate levels. The reactor did not show any instability during the study. The activity of granules was not affected by the dyes. Methanothrix like bacteria were the dominant group in granules before introducing TW, however, they were reduced and cocci-shape microorganism increased after the treatment of textile wastewater.

Effect of organic load on decolourization of textile wastewater containing acid dyes in upflow anaerobic sludge blanket reactor

Energy Technology Data Exchange (ETDEWEB)

Wijetunga, Somasiri, E-mail: swije2001@yahoo.com [Laboratory of Environmental Biotechnology, School of Biotechnology, Southern Yangtze University, 170 Huihe Road, Wuxi 214036 (China); Li Xiufen [Laboratory of Environmental Biotechnology, School of Biotechnology, Southern Yangtze University, 170 Huihe Road, Wuxi 214036 (China); Jian Chen, E-mail: jchen@sytu.edu.cn [Laboratory of Environmental Biotechnology, School of Biotechnology, Southern Yangtze University, 170 Huihe Road, Wuxi 214036 (China)

2010-05-15

Textile wastewater (TW) is one of the most hazardous wastewater for the environment when discharged without proper treatment. Biological treatment technologies have shown encouraging results over the treatment of recalcitrant compounds containing wastewaters. Upflow anaerobic sludge blanket reactor (UASB) was evaluated in terms of colour and the reduction of chemical oxygen demand (COD) with different organic loads using TW containing dyes belonging to different chemical groups. The study was performed using six different dye concentrations (10 mg/L, 25 mg/L, 50 mg/L, 100 mg/L, 150 mg/L, 300 mg/L) with three COD levels ({approx}1000 mg/L, {approx}2000 mg/L, {approx}3000 mg/L). Decolourization, COD removal and reactor stability were monitored. Over 85% of colour removal was observed with all dye concentrations with three organic loads. Acid Red 131 and Acid Yellow 79 were decolourized through biodegradation while Acid Blue 204 was decolourized due to adsorption onto anaerobic granules. COD removal was high in all dye concentrations, regardless of co-substrate levels. The reactor did not show any instability during the study. The activity of granules was not affected by the dyes. Methanothrix like bacteria were the dominant group in granules before introducing TW, however, they were reduced and cocci-shape microorganism increased after the treatment of textile wastewater.

Genetic effects of organic mercury compounds

Energy Technology Data Exchange (ETDEWEB)

Ramel, C

1967-01-01

Studies on the genetic and developmental effects of organic mercury compounds on lilies, drosophila, and ice were carried out. It was found that chromosomal and developmental abnormalities were correlated with the administration of mercury compounds.

An assessment of biodegradability of quaternary carbon-containing fragrance compounds: comparison of experimental OECD screening test results and in silico prediction data.

Science.gov (United States)

Seyfried, Markus; Boschung, Alain

2014-05-01

An assessment of biodegradability was carried out for fragrance substances containing quaternary carbons by using data obtained from Organisation for Economic Co-operation and Development (OECD) 301F screening tests for ready biodegradation and from Biowin and Catalogic prediction models. Despite an expected challenging profile, a relatively high percentage of common-use fragrance substances showed significant biodegradation under the stringent conditions applied in the OECD 301F test. Among 27 test compounds, 37% met the pass level criteria after 28 d, while another 26% indicated partial breakdown (≥20% biodegradation). For several compounds for which structural analogs were available, the authors found that structures that were rendered less water soluble by either the presence of an acetate ester or the absence of oxygen tended to degrade to a lesser extent compared to the primary alcohols or oxygenated counterparts under the test conditions applied. Difficulties were encountered when attempting to correlate experimental with in silico data. Whereas the Biowin model combinations currently recommended by regulatory agencies did not allow for a reliable discrimination between readily and nonbiodegradable compounds, only a comparably small proportion of the chemicals studied (30% and 63% depending on the model) fell within the applicability domain of Catalogic, a factor that critically reduced its predictive power. According to these results, currently neither Biowin nor Catalogic accurately reflects the potential for biodegradation of fragrance compounds containing quaternary carbons. © 2014 SETAC.

MICROBIAL DEGRADATION OF NITROGEN, OXYGEN AND SULFUR HETEROCYCLIC COMPOUNDS UNDER ANAEROBIC CONDITIONS: STUDIES WITH AQUIFER SAMPLES

Science.gov (United States)

The potential for anaerobic biodegradation of 12 heterocyclic model compounds was studied. Nine of the model compounds were biotransformed in aquifer slurries under sulfate-reducing or methanogenic conditions. The nitrogen and oxygen heterocyclic compounds were more susceptible t...

Removal of gasoline volatile organic compounds via air biofiltration

International Nuclear Information System (INIS)

Miller, R.S.; Saberiyan, A.G.; Esler, C.T.; DeSantis, P.; Andrilenas, J.S.

1995-01-01

Volatile organic compounds (VOCs) generated by vapor extraction and air-stripping systems can be biologically treated in an air biofiltration unit. An air biofilter consists of one or more beds of packing material inoculated with heterotrophic microorganisms capable of degrading the organic contaminant of concern. Waste gases and oxygen are passed through the inoculated packing material, where the microorganisms will degrade the contaminant and release CO 2 + H 2 O. Based on data obtained from a treatability study, a full-scale unit was designed and constructed to be used for treating gasoline vapors generated by a vapor-extraction and groundwater-treatment system at a site in California. The unit is composed of two cylindrical reactors with a total packing volume of 3 m 3 . Both reactors are packed with sphagnum moss and inoculated with hydrocarbon-degrading microorganisms of Pseudomonas and Arthrobacter spp. The two reactors are connected in series for air-flow passage. Parallel lines are used for injection of water, nutrients, and buffer to each reactor. Data collected during the startup program have demonstrated an air biofiltration unit with high organic-vapor-removal efficiency

Catalytic oxidant scavenging by selenium-containing compounds

DEFF Research Database (Denmark)

Carroll, Luke; Pattison, David I; Fu, Shanlin

2017-01-01

Myeloperoxidase produces strong oxidants during the immune response to destroy invading pathogens. However, these oxidants can also cause tissue damage, which contributes to the development of numerous inflammatory diseases. Selenium containing compounds, including selenomethionine (SeMet) and 1,...

Synthesis, characterization and catalytic performance of ZnO-CeO2 nanoparticles in wet oxidation of wastewater containing chlorinated compounds

Science.gov (United States)

Anushree; Kumar, S.; Sharma, C.

2017-11-01

Here we report the catalytic property of ZnO-CeO2 nanoparticles towards oxidative degradation of organic pollutants present in industrial wastewater. The catalysts were prepared by co-precipitation method without using any surfactant. The physicochemical properties of catalysts were studied by XRD, Raman, XPS, N2-sorption, FE-SEM, TEM and EDX techniques. The characterization results confirmed the formation of porous ZnO-CeO2 nanocatalysts with high surface area, pore volume and oxygen vacancies. ZnO-CeO2 nanocatalysts exhibited appreciable efficiency in CWAO of industrial wastewater under mild conditions. The Ce40Zn60 catalyst was found to be most efficient with 72% color, 64% chemical oxygen demand (COD) and 63% total organic carbon (TOC) removal. Efficient removal of chlorophenolics (CHPs, 59%) and adsorbable organic halides (AOX, 54%) indicated the feasibility of using ZnO-CeO2 nanocatalysts in degradation of non-biodegradable and toxic chlorinated compounds.

The pyrolytic-plasma method and the device for the utilization of hazardous waste containing organic compounds

Energy Technology Data Exchange (ETDEWEB)

Opalińska, Teresa [Tele and Radio Research Institute, Ratuszowa 11, 03-450 Warsaw (Poland); Wnęk, Bartłomiej, E-mail: bartlomiej.wnek@itr.org.pl [Tele and Radio Research Institute, Ratuszowa 11, 03-450 Warsaw (Poland); Witowski, Artur; Juszczuk, Rafał; Majdak, Małgorzata [Tele and Radio Research Institute, Ratuszowa 11, 03-450 Warsaw (Poland); Bartusek, Stanilav [VŠB—Technical University of Ostrava, 17. listopadu 15/2172, 708 33 Ostrava − Poruba Czech Republic (Czech Republic)

2016-11-15

Highlights: • A first stage of the process of waste utilization consisted in pyrolysis of waste. • Then the pyrolytic gas was oxidized with a use of non-equilibrium plasma. • The device for the process implementation was built and characterized. • Correctness of the device operation was proven with a use of the decomposition of PE. • Usefulness of the method was proven in the process of utilization of EW. - Abstract: This paper is focused on the new method of waste processing. The waste, including hazardous waste, contain organic compounds. The method consists in two main processes: the pyrolysis of waste and the oxidation of the pyrolytic gas with a use of non-equilibrium plasma. The practical implementation of the method requires the design, construction and testing of the new device in large laboratory scale. The experiments were carried out for the two kinds of waste: polyethylene as a model waste and the electronic waste as a real waste. The process of polyethylene decomposition showed that the operation of the device is correct because 99.74% of carbon moles contained in the PE samples was detected in the gas after the process. Thus, the PE samples practically were pyrolyzed completely to hydrocarbons, which were completely oxidized in the plasma reactor. It turned out that the device is useful for decomposition of the electronic waste. The conditions in the plasma reactor during the oxidation process of the pyrolysis products did not promote the formation of PCDD/Fs despite the presence of the oxidizing conditions. An important parameter determining the efficiency of the oxidation of the pyrolysis products is gas temperature in the plasma reactor.

Atomic and molecular physics of plasma-based environmental technologies for abatement of volatile organic compounds

International Nuclear Information System (INIS)

Penetrante, B. M.; Hsiao, M. C.; Bardsley, J. N.; Merritt, B. T.; Vogtin, G. E.; Kuthi, A.; Burkhart, C. P.; Bayless, J. R.

1997-01-01

Non-thermal plasma techniques represent a new generation of air emission control technology that potentially could treat large-volume emissions containing dilute concentrations of volatile organic compounds. In order to apply non-thermal plasmas in an industrial scale, it is important to establish the electrical power requirements and byproducts of the process.There is a need for reliable data concerning the primary decomposition mechanisms and subsequent chemical kinetics associated with non- thermal plasma processing of volatile organic compounds. There are many basic atomic and molecular physics issues that are essential in evaluating the economic performance of non-thermal plasma reactors. These studies are important in understanding how the input electrical power is dissipated in the plasma and how efficiently it is converted to the production of the plasma species (radicals, ions or electrons) responsible for the decomposition of the volatile organic compounds. This paper will present results from basic experimental and theoretical studies aimed at identifying the reaction mechanisms responsible for the primary decomposition of various types of volatile organic compounds. (authors)

Solid phase microextraction: measurement of volatile organic compounds (VOCs) in Dhaka City air pollution.

Science.gov (United States)

Hussam, A; Alauddin, M; Khan, A H; Chowdhury, D; Bibi, H; Bhattacharjee, M; Sultana, S

2002-08-01

A solid phase microextraction (SPME) technique was applied for the sampling of volatile organic compounds (VOCs) in ambient air polluted by two stroke autorickshaw engines and automobile exhausts in Dhaka city, Bangladesh. Analysis was carried out by capillary gas chromatography (GC) and GC-mass spectrometry (MS). The methodology was tested by insitu sampling of an aromatic hydrocarbon mixture gas standard with a precision of +/-5% and an average accuracy of 1-20%. The accuracy for total VOCs concentration measurement was about 7%. VOC's in ambient air were collected by exposing the SPME fiber at four locations in Dhaka city. The chromatograms showed signature similar to that of unburned gasoline (petrol) and weathered diesel containing more than 200 organic compounds; some of these compounds were positively identified. These are normal hydrocarbons pentane (n-C5H2) through nonacosane (n-C29H60), aromatic hydrocarbons: benzene, toluene, ethylbenzene, n-propylbenzene, n-butylbenzene, 1,3,5-trimethylbenzene, xylenes, and 1-isocyanato-3-methoxybenzene. Two samples collected near an autorickshaw station contained 783000 and 1479000 microg/m3 of VOCs. In particular, the concentration of toluene was 50-100 times higher than the threshold limiting value of 2000 microg/m3. Two other samples collected on street median showed 135000 microg/m3 and 180000 microg/m3 of total VOCs. The method detection limit of the technique for most semi-volatile organic compounds was 1 microg/m3.

Cloud processing of organic compounds: Secondary organic aerosol and nitrosamine formation

Science.gov (United States)

Hutchings, James W., III

Cloud processing of atmospheric organic compounds has been investigated through field studies, laboratory experiments, and numerical modeling. Observational cloud chemistry studies were performed in northern Arizona and fog studies in central Pennsylvania. At both locations, the cloud and fogs showed low acidity due to neutralization by soil dust components (Arizona) and ammonia (Pennsylvania). The field observations showed substantial concentrations (20-5500 ng•L -1) of volatile organic compounds (VOC) in the cloud droplets. The potential generation of secondary organic aerosol mass through the processing of these anthropogenic VOCs was investigated through laboratory and modeling studies. Under simulated atmospheric conditions, in idealized solutions, benzene, toluene, ethylbenzene, and xylene (BTEX) degraded quickly in the aqueous phase with half lives of approximately three hours. The degradation process yielded less volatile products which would contribute to new aerosol mass upon cloud evaporation. However, when realistic cloud solutions containing natural organic matter were used in the experiments, the reaction kinetics decreased with increasing organic carbon content, resulting in half lives of approximately 7 hours. The secondary organic aerosol (SUA) mass formation potential of cloud processing of BTEX was evaluated. SOA mass formation by cloud processing of BTEX, while strongly dependent on the atmospheric conditions, could contribute up to 9% of the ambient atmospheric aerosol mass, although typically ˜1% appears realistic. Field observations also showed the occurrence of N-nitrosodimethylamine (NDMA), a potent carcinogen, in fogs and clouds (100-340 ng•L -1). Laboratory studies were conducted to investigate the formation of NDMA from nitrous acid and dimethylamine in the homogeneous aqueous phase within cloud droplets. While NDMA was produced in the cloud droplets, the low yields (NDMA with partitioning to droplet must be the source of aqueous

40 CFR 721.5330 - Nickel salt of an organo compound containing nitrogen.

Science.gov (United States)

2010-07-01

... containing nitrogen. 721.5330 Section 721.5330 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.5330 Nickel salt of an organo compound containing nitrogen. (a) Chemical... as nickel salt of an organo compound containing nitrogen (PMN P-92-686) is subject to reporting under...

User's guide for polyethylene-based passive diffusion bag samplers to obtain volatile organic compound concentrations in wells. Part 2, Field tests

Science.gov (United States)

Vroblesky, Don A.

2001-01-01

Diffusion samplers installed in observation wells were found to be capable of yielding representative water samples for chlorinated volatile organic compounds. The samplers consisted of polyethylene bags containing deionized water and relied on diffusion of chlorinated volatile organic compounds through the polyethylene membrane. The known ability of polyethylene to transmit other volatile compounds, such as benzene and toluene, indicates that the samplers can be used for a variety of volatile organic compounds. In wells at the study area, the volatile organic compound concentrations in water samples obtained using the samplers without prior purging were similar to concentrations in water samples obtained from the respective wells using traditional purging and sampling approaches. The low cost associated with this approach makes it a viable option for monitoring large observation-well networks for volatile organic compounds.

Chemical characterization of organic particulate matter from on-road traffic in São Paulo, Brazil

Directory of Open Access Journals (Sweden)

B. S. Oyama

2016-11-01

Full Text Available This study reports emission of organic particulate matter by light-duty vehicles (LDVs and heavy-duty vehicles (HDVs in the city of São Paulo, Brazil, where vehicles run on three different fuel types: gasoline with 25 % ethanol (called gasohol, E25, hydrated ethanol (E100, and diesel (with 5 % biodiesel. The experiments were performed at two tunnels: Jânio Quadros (TJQ, where 99 % of the vehicles are LDVs, and RodoAnel Mário Covas (TRA, where up to 30 % of the fleet are HDVs. Fine particulate matter (PM2.5 samples were collected on quartz filters in May and July 2011 at TJQ and TRA, respectively. The samples were analyzed by thermal-desorption proton-transfer-reaction mass spectrometry (TD-PTR-MS and by thermal–optical transmittance (TOT. Emission factors (EFs for organic aerosol (OA and organic carbon (OC were calculated for the HDV and the LDV fleet. We found that HDVs emitted more PM2.5 than LDVs, with OC EFs of 108 and 523 mg kg−1 burned fuel for LDVs and HDVs, respectively. More than 700 ions were identified by TD-PTR-MS and the EF profiles obtained from HDVs and LDVs exhibited distinct features. Unique organic tracers for gasoline, biodiesel, and tire wear have been tentatively identified. nitrogen-containing compounds contributed around 20 % to the EF values for both types of vehicles, possibly associated with incomplete fuel burning or fast secondary production. Additionally, 70 and 65 % of the emitted mass (i.e. the OA originates from oxygenated compounds from LDVs and HDVs, respectively. This may be a consequence of the high oxygen content of the fuel. On the other hand, additional oxygenation may occur during fuel combustion. The high fractions of nitrogen- and oxygen-containing compounds show that chemical processing close to the engine / tailpipe region is an important factor influencing primary OA emission. The thermal-desorption analysis showed that HDVs emitted compounds with higher volatility, and with

Chlorine-containing natural compounds in higher plants

DEFF Research Database (Denmark)

Engvild, Kjeld Christensen

1986-01-01

More than 130 chlorine-containing compounds have been isolated from higher plants and ferns; about half are polyacetylenes, thiophenes and sesquiterpene lactones from the Asteraceae. A chlorinated chlorophyll may be an important part of photosystem 1. High biological activity is found in 4...

Inhibitory action of an heterocyclic organic compound containing amine group for copper corrosion in 5,0 M nitric acid solution

Energy Technology Data Exchange (ETDEWEB)

El-Naggar, M.M.; Abdallah, M. [Benha Univ., Benha (Egypt). Chemistry Dept., Faculty of Science

2000-10-01

An heterocyclic organic compound containing amine group namely: 3-mercaptomethyl-4amino-5-hydroxy-1, 2, 4-triazole compound 1{sub a} was tested as a new inhibitor for copper corrosion in 5.0 M HNO{sub 3} solution. It proved to have a high value of inhibition efficiency (> 99.9%) at an inhibitor concentration of {>=} 2.5 x 10{sup -}3 M. A parallelism is established between the results obtained from weight loss, thermometric and galvanostatic polarization techniques. The high protective effect of compound I{sub a} is related to the decomposition of HNO{sub 2} formed through the autocatalytic cycle. The decomposition of HNO{sub 2} could be attributed to its reaction with the adsorbed inhibitor amine group. Furthermore, the results indicated that compound I{sub a} provides long-term protection and behaves as a mixed inhibitor type with a predominant cathodic effectiveness. [Italian] E' stato valutato, quale nuovo inibitore della corrosione del rame in soluzione 5.0 M di HNO{sub 3}, un composto organico eterociclico contenente un amino gruppo, chiamato: 3-mercaptometil-4amino-5-idrossi-1, 2, 4-triazolo composto I{sub a}. Questi, ad una concentrazione {>=} 2.5 x 10{sup -}3 M, ha dimostrato di possedere un elevato valore di efficienza di inibizione (> 99.9%). E' stato stabilito un parallelismo tra i risultati ottenuti dalla perdita di peso, da misure termometriche e di polarizzazione galvanostatica. L'elevato effetto protettivo del composto I{sub a} e' correlato alla decomposizione dell'HNO{sub 2} formatosi attraverso il ciclo autocatalitico. La decomposizione di HNO{sub 2} puo' essere attribuita alla sua reazione con il gruppo inibitore aminico adsorbito. Inoltre, i risultati indicano che il composto I{sub a} fornisce una protezione a lungo termine e si comporta come un inibitore di tipo misto con una predominante efficienza catodica.

One-Step Borylation of 1,3-Diaryloxybenzenes Towards Efficient Materials for Organic Light-Emitting Diodes.

Science.gov (United States)

Hirai, Hiroki; Nakajima, Kiichi; Nakatsuka, Soichiro; Shiren, Kazushi; Ni, Jingping; Nomura, Shintaro; Ikuta, Toshiaki; Hatakeyama, Takuji

2015-11-09

The development of a one-step borylation of 1,3-diaryloxybenzenes, yielding novel boron-containing polycyclic aromatic compounds, is reported. The resulting boron-containing compounds possess high singlet-triplet excitation energies as a result of localized frontier molecular orbitals induced by boron and oxygen. Using these compounds as a host material, we successfully prepared phosphorescent organic light-emitting diodes exhibiting high efficiency and adequate lifetimes. Moreover, using the present one-step borylation, we succeeded in the synthesis of an efficient, thermally activated delayed fluorescence emitter and boron-fused benzo[6]helicene. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Classifying organic materials by oxygen-to-carbon elemental ratio to predict the activation regime of Cloud Condensation Nuclei (CCN

Directory of Open Access Journals (Sweden)

M. Kuwata

2013-05-01

Full Text Available The governing highly soluble, slightly soluble, or insoluble activation regime of organic compounds as cloud condensation nuclei (CCN was examined as a function of oxygen-to-carbon elemental ratio (O : C. New data were collected for adipic, pimelic, suberic, azelaic, and pinonic acids. Secondary organic materials (SOMs produced by α-pinene ozonolysis and isoprene photo-oxidation were also included in the analysis. The saturation concentrations C of the organic compounds in aqueous solutions served as the key parameter for delineating regimes of CCN activation, and the values of C were tightly correlated to the O : C ratios. The highly soluble, slightly soluble, and insoluble regimes of CCN activation were found to correspond to ranges of [O : C] > 0.6, 0.2 < [O : C] < 0.6, and [O : C] < 0.2, respectively. These classifications were evaluated against CCN activation data of isoprene-derived SOM (O : C = 0.69–0.72 and α-pinene-derived SOM (O : C = 0.38–0.48. Isoprene-derived SOM had highly soluble activation behavior, consistent with its high O : C ratio. For α-pinene-derived SOM, although CCN activation can be modeled as a highly soluble mechanism, this behavior was not predicted by the O : C ratio, for which a slightly soluble mechanism was anticipated. Complexity in chemical composition, resulting in continuous water uptake and the absence of a deliquescence transition that can thermodynamically limit CCN activation, might explain the difference in the behavior of α-pinene-derived SOM compared to that of pure organic compounds. The present results suggest that atmospheric particles dominated by hydrocarbon-like organic components do not activate (i.e., insoluble regime whereas those dominated by oxygenated organic components activate (i.e., highly soluble regime for typical atmospheric cloud life cycles.

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.

Retrievable micro-inserts containing oxygen sensors for monitoring tissue oxygenation using EPR oximetry

International Nuclear Information System (INIS)

Dinguizli, M; Beghein, N; Gallez, B

2008-01-01

Tissue oxygenation is a crucial parameter in various physiopathological situations and can influence the therapeutic response of tumours. EPR oximetry is a reliable method for assessing and monitoring oxygen levels in vivo over long periods of time. Among the different paramagnetic oxygen sensors available for EPR oximetry, lithium phthalocyanine (LiPc) is a serious candidate for in vivo applications because of its narrow linewidth and its high signal-to-noise ratio. To enhance the biocompatibility of the sensors, fluoropolymer Teflon AF2400 was used to make cylindrical micro-inserts containing LiPc crystals. This new micro-pellet design has several advantages for in vivo studies, including the possibility of being able to choose the implant size, a high sensor content, the facility of in vivo insertion and complete protection with preservation of the oxygen sensor's characteristics. The response to oxygen and the kinetics of this response were tested using in vivo EPR: no differences were observed between micro-inserts and uncoated LiPc crystals. Pellets implanted in vivo in muscles conserved their responsiveness over a long period of time (∼two months), which is much longer than the few days of stability observed using LiPc crystals without protection by the implant. Finally, evaluation of the biocompatibility of the implants revealed no inflammatory reaction around the implantation area

Correlation of Secondary Organic Aerosol with Odd Oxygen in Mexico City

Energy Technology Data Exchange (ETDEWEB)

Herndon, Scott C.; Onasch, Timothy B.; Wood, Ezra C.; Kroll, Jesse H.; Canagaratna, M. R.; Jayne, John T.; Zavala, Miguel A.; Knighton, W. Berk; Mazzoleni, Claudio; Dubey, Manvendra K.; Ulbrich, Ingrid M.; Jimenez, Jose L.; Seila, Robert; de Gouw, Joost A.; de Foy, B.; Fast, Jerome D.; Molina, Luisa T.; Kolb, C. E.; Worsnop, Douglas R.

2008-08-05

Data collected from a mountain location within the Mexico City limits are used to demonstrate a correlation between secondary organic aerosol and odd-oxygen (O3 + NO2). Positive matrix factorization techniques are employed to separate organic aerosol components: hydrocarbon-like organic aerosol; oxidized-organic aerosol; and biomass burning organic aerosol. The measured hydrocarbon-like organic aerosol is correlated with urban CO (8±1) µg m-3 ppmv-1. The measured oxidized-organic aerosol is associated with photochemical oxidation products and correlates with odd-oxygen with an apparent slope of (70-120) µg m-3 ppmv-1. The dependence of the oxidized-organic aerosol to odd-oxygen correlation on the nature of the gas-phase hydrocarbon profile is discussed.

Differences in temperature, organic carbon and oxygen consumption among lowland streams

DEFF Research Database (Denmark)

Sand-Jensen, K.; Pedersen, N. L.

2005-01-01

1. Temperature, organic carbon and oxygen consumption were measured over a year at 13 sites in four lowlands streams within the same region in North Zealand, Denmark with the objectives of determining: (i) spatial and seasonal differences between open streams, forest streams and streams with or w......1. Temperature, organic carbon and oxygen consumption were measured over a year at 13 sites in four lowlands streams within the same region in North Zealand, Denmark with the objectives of determining: (i) spatial and seasonal differences between open streams, forest streams and streams...... the exponential increase of oxygen consumption rate between 4 and 20 °C averaged 0.121 °C-1 (Q10 of 3.35) in 70 measurements and showed no significant variations between seasons and stream sites or correlations with ambient temperature and organic content. 5. Oxygen consumption rate was enhanced downstream...... at ambient temperature by 30-40% and 80-130%, respectively. Faster consumption of organic matter and dissolved oxygen downstream of point sources should increase the likelihood of oxygen stress of the stream biota and lead to the export of less organic matter but more mineralised nutrients to the coastal...

Trace organic compounds in wet atmospheric deposition: an overview

Science.gov (United States)

Steinheimer, T.R.; Johnson, S.M.

1987-01-01

An overview of the occurrence of organic compounds in wet atmospheric deposition is given. Multiplicity of sources and problems associated with source identification are discussed. Available literature is reviewed by using citations from Chemical Abstracts and Water Resources Abstracts through June 1985 and includes reports published through December 1984 that summarize current knowledge. Approaches to the chemical determination of organic compounds in precipitation are examined in addition to aspects of sampling protocols. Best methods for sample collection and preparation for instrumental analysis continue to be discussed among various investigators. Automatic wet-deposition-only devices for collection and extraction are preferred. Classes of organic compounds that have been identified in precipitation include a spectrum of compounds with differing properties of acidity or basicity, polarity, and water solubility. Those compounds that have been reported in rainfall, snowfall, and ice include hydrocarbons (both aromatic and nonaromatic), chlorinated derivatives of these hydrocarbons, carbonyl compounds (both acidic and nonacidic), and carboxylic acids and esters. Formic and acetic are the most abundant organic acids present. Cloudwater, fogwater, and mist also have been collected and analyzed for organic composition.

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.)

Treatment of sludge containing nitro-aromatic compounds in reed-bed mesocosms – Water, BOD, carbon and nutrient removal

International Nuclear Information System (INIS)

Gustavsson, L.; Engwall, M.

2012-01-01

Highlights: ► It is necessary to improve existing and develop new sludge management techniques. ► One method is dewatering and biodegradation of compounds in constructed wetlands. ► The result showed high reduction of all tested parameters after treatment. ► Plants improve degradation and Phragmites australis is tolerant to xenobiotics. ► The amount of sludge could be reduced by 50–70%. - Abstract: Since the mid-1970s, Sweden has been depositing 1 million ton d.w sludge/year, produced at waste water treatment plants. Due to recent legislation this practice is no longer a viable method of waste management. It is necessary to improve existing and develop new sludge management techniques and one promising alternative is the dewatering and treatment of sludge in constructed wetlands. The aim of this study was to follow reduction of organic carbon, BOD and nutrients in an industrial sludge containing nitro-aromatic compounds passing through constructed small-scale wetlands, and to investigate any toxic effect such as growth inhibition of the common reed Phragmites australis. The result showed high reduction of all tested parameters in all the outgoing water samples, which shows that constructed wetlands are suitable for carbon and nutrient removal. The results also showed that P. australis is tolerant to xenobiotics and did not appear to be affected by the toxic compounds in the sludge. The sludge residual on the top of the beds contained low levels of organic carbon and is considered non-organic and could therefore be landfilled. Using this type of secondary treatment method, the amount of sludge could be reduced by 50–70%, mainly by dewatering and biodegradation of organic compounds.

Origin of organic sulphur compounds and sulphur-containing high molecular weight substances in sediments and immature crude oils

NARCIS (Netherlands)

Sinninghe Damsté, J.S.; Rijpstra, W.I.C.; Leeuw, J.W. de; Schenck, P.A.

1988-01-01

The distribution patterns of Organic Sulphur Compounds (OSC), occurring in certain sediments and immature crude oils, were compared with those of the corresponding hydrocarbons. Because of the complexity of the OSC mixtures, they were desulphurized to hydrocarbons (n-alkanes, isoprenoid alkanes,

Nicotine, aerosol particles, carbonyls and volatile organic compounds in tobacco- and menthol-flavored e-cigarettes.

Science.gov (United States)

Lee, Mi-Sun; LeBouf, Ryan F; Son, Youn-Suk; Koutrakis, Petros; Christiani, David C

2017-04-27

We aimed to assess the content of electronic cigarette (EC) emissions for five groups of potentially toxic compounds that are known to be present in tobacco smoke: nicotine, particles, carbonyls, volatile organic compounds (VOCs), and trace elements by flavor and puffing time. We used ECs containing a common nicotine strength (1.8%) and the most popular flavors, tobacco and menthol. An automatic multiple smoking machine was used to generate EC aerosols under controlled conditions. Using a dilution chamber, we targeted nicotine concentrations similar to that of exposure in a general indoor environment. The selected toxic compounds were extracted from EC aerosols into a solid or liquid phase and analyzed with chromatographic and spectroscopic methods. We found that EC aerosols contained toxic compounds including nicotine, fine and nanoparticles, carbonyls, and some toxic VOCs such as benzene and toluene. Higher mass and number concentrations of aerosol particles were generated from tobacco-flavored ECs than from menthol-flavored ECs. We found that diluted machine-generated EC aerosols contain some pollutants. These findings are limited by the small number of ECs tested and the conditions of testing. More comprehensive research on EC exposure extending to more brands and flavor compounds is warranted.

Identification of the sources of organic compounds that decalcify cement concrete and generate alcohols and ammonia gases

Energy Technology Data Exchange (ETDEWEB)

Tomoto, Takashi [Technical Research Institute, Obayashi Road Corporation, 4-640 Shimokiyoto, Kiyose, Tokyo, 204-0011 (Japan); Moriyoshi, Akihiro [Material Science Laboratory, Hokkaido University, 2-1-9-10 Kiyota, Kiyota-ku, Sapporo, 004-0842 (Japan); Sakai, Kiyoshi [Department of Environmental Health, Nagoya City Public Health Research Institute, 1-11 Hagiyama-cho, Mizuho-ku, Nagoya, 467-8615 (Japan); Shibata, Eiji [Department of Health and Psychosocial Medicine, Aichi Medical University School of Medicine, Nagakute-cho, Aichi, 480-1195 (Japan); Kamijima, Michihiro [Department of Occupational and Environmental Health, Nagoya University Graduate School of Medicine, 65 Tsurumai-cho, Showa-ku, Nagoya, 466-8550 (Japan)

2009-09-15

This study identifies the emission sources of various types of airborne organic compounds, which deteriorate cement concrete by penetrating into the concrete together with moisture. The study used high-performance liquid chromatography and gas chromatograph mass spectrometry. The results show that the types of organic compounds contained in decalcified cement concrete were very similar to those found in the total suspended compounds in the air, and that the source of the emissions was particles of exhaust from diesel vehicles and radial tires used in summer. Such organic compounds include substances suspected of having endocrine disrupting properties. Hydrolysis occurs when these substances penetrate into highly alkaline cement concrete, and leads to deterioration of the cement concrete and the release of alcohols and ammonia gases which pollute indoor air and may be a cause of the sick building syndrome. (author)

Abatements of reduced sulphur compounds, colour, and organic matter from indigo dyeing effluents by electrocoagulation.

Science.gov (United States)

Tünay, Olcay; Simşeker, Merve; Kabdaşli, Isik; Olmez-Hanci, Tugba

2014-08-01

In the present study, the treatability of indigo dyeing effluents by the electrocoagulation (EC) process using stainless steel electrodes was experimentally investigated. The samples used were concentrated with main pollutant parameters of chemical oxygen demand (COD) (1000-1100 mg/L), reduced sulphur species (over 2000 mg SO2-(3)/L), and colour (0.12-0.13 1/cm). The study focused on the effect of main operation parameters on the EC process performance in terms of abatement of reduced sulphur compounds as well as decolourization and organic matter reduction. Results indicated that the performance of EC proved to be high providing total oxidation of the reduced sulphur compounds, almost complete decolourization, and COD removal up to 90%. Increasing applied current density from 22.5 to 45 mA/cm2 appreciably improved abatement of the reduced sulphur compounds for Sample I, but a further increase in the applied current density to 67.5 mA/cm2 did not accelerate the conversion rate to sulphate. The process performance was adversely affected by increasing initial concentration of the reduced sulphur compounds. Decolourization and organic matter removal efficiency enhanced with increasing applied current density. The main removal mechanism of the reduced sulphur compounds by EC was explained as conversion to sulphate via oxidation. Conversion rate to sulphate fitted pseudo-first-order kinetics very well.

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.

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

Investigation, Analysis, and Testing of Self-contained Oxygen Generators

Science.gov (United States)

Keddy, Christopher P.; Haas, Jon P.; Starritt, Larry

2008-01-01

Self Contained Oxygen Generators (SCOGs) have widespread use in providing emergency breathing oxygen in a variety of environments including mines, submarines, spacecraft, and aircraft. These devices have definite advantages over storing of gaseous or liquid oxygen. The oxygen is not generated until a chemical briquette containing a chlorate or perchlorate oxidizer and a solid metallic fuel such as iron is ignited starting a thermal decomposition process allowing gaseous oxygen to be produced. These devices are typically very safe to store, easy to operate, and have primarily only a thermal hazard to the operator that can be controlled by barriers or furnaces. Tens of thousands of these devices are operated worldwide every year without major incident. This report examines the rare case of a SCOG whose behavior was both abnormal and lethal. This particular type of SCOG reviewed is nearly identical to a flight qualified version of SCOG slated for use on manned space vehicles. This Investigative Report is a compilation of a NASA effort in conjunction with other interested parties including military and aerospace to understand the causes of the particular SCOG accident and what preventative measures can be taken to ensure this incident is not repeated. This report details the incident and examines the root causes of the observed SCOG behavior from forensic evidence. A summary of chemical and numerical analysis is provided as a background to physical testing of identical SCOG devices. The results and findings of both small scale and full scale testing are documented on a test-by-test basis along with observations and summaries. Finally, conclusions are presented on the findings of this investigation, analysis, and testing along with suggestions on preventative measures for any entity interested in the safe use of these devices.

The insoluble carbonaceous material of CM chondrites: A possible source of discrete organic compounds under hydrothermal conditions

Science.gov (United States)

Yabuta, Hikaru; Williams, Lynda B.; Cody, George D.; Alexander, Conel M. O. D.; Pizzarello, Sandra

2007-08-01

We report on the molecular analyses of the water- and solvent-soluble organic compounds released from the insoluble organic material (IOM) of the Murray meteorite upon treatment with weight-equivalent amounts of water and under conditions of elevated temperature and pressure. A varied suite of compounds was identified by gas chromatography-mass spectrometry (GC-MS). C3-C17 alkyl dicarboxylic acids and N- and O-containing hydroaromatic and aromatic compounds were found in the water extracts. The solvent extracts contained N-, O-, and S-containing aromatic compounds, a large number of their isomers and homologs, and a series of polycyclic aromatic hydrocarbons (PAHs) of up to five rings, together with noncondensed aromatic species such as substituted benzenes, biphenyl, and terphenyls as well as their substituted homologs, and hydrated PAHs. Isotopic analyses showed that residue IOMs after hydrothermal treatment had lower deuterium and 15N content than the untreated material (ΔD = -833‰ and Δ15N = -24.1) but did not differ from it in 13C composition. The effect of the hydrothermolytic release was recorded in significant differences between the NMR spectra of untreated and residue IOM. A possible relation to common precursors for the dicarboxylic acids found in the IOM and bulk extracts is discussed.

Characterization of organic aromatic compounds in soils affected by an uncontrolled tire landfill fire through the use of comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry.

Science.gov (United States)

Escobar-Arnanz, J; Mekni, S; Blanco, G; Eljarrat, E; Barceló, D; Ramos, L

2018-02-09

Discarded vehicle tires have become an increasing concern worldwide due to the enormous amount of wastes generated and the increasing evidence of health problems associated to their disposal and accidental combustion. Previous studies conducted involving either simulated or open uncontrolled tire fires have identified aromatics belonging to two main classes, volatile organic compounds and polycyclic aromatic compounds (PAHs), as the most relevant chemicals generated in these burning processes. As a consequence, and due to their recognized toxicity, most studies reported up to now have mainly focused on these two categories of compounds being information concerning the possible occurrence of other aromatic classes rather limited. In this study, the enhanced separation power and structural confirmation capabilities provided by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-ToF MS) has been used, for the first time, for the non-targeted analysis of soils impacted by a tire fire and an ash collected at the scene of the fire. In total, 118 volatile and semi-volatile aromatic compounds have been differentiated. Among them, 104 compounds have been either positively or tentatively identified. PAHs with 3-5 rings and their alkyl-derivatives were the most numerous and relevant classes in the investigated samples. A significant number of sulfur, oxygen- and nitrogen-containing PAHs were also detected in the samples. The application of a script function to the raw GC×GC-ToF MS data allowed the fast filtering and automatic recognition of compounds containing halogens in their structure. This part of the study evidenced that only a limited number of regulated persistent organic pollutants were present in the investigated samples. However, it also revealed the presence of emerging organophosphorous flame retardants, whose levels in tire fire impacted soils are reported for the first time. Copyright © 2017 Elsevier B.V. All rights

Method of removing nitrogen monoxide from a nitrogen monoxide-containing gas using a water-soluble iron ion-dithiocarbamate, xanthate or thioxanthate

Science.gov (United States)

Liu, D. Kwok-Keung; Chang, Shih-Ger

1987-08-25

The present invention relates to a method of removing of nitrogen monoxide from a nitrogen monoxide-containing gas which method comprises contacting a nitrogen oxide-containing gas with an aqueous solution of water soluble organic compound-iron ion chelate complex. The NO absorption efficiency of ferrous urea-dithiocarbamate and ferrous diethanolamine-xanthate as a function of time, oxygen content and solution ph is presented. 3 figs., 1 tab.

Method development for the determination of volatile organic compounds in mixed waste

International Nuclear Information System (INIS)

Sandoval, W.F.; Rogers, Y.C.; Schappert, M.F.; Boland, K.S.; Spall, W.D.; Wilkerson, C.W. Jr.

1993-01-01

While analytical methods exist for the determination of Resource Conservation and Recovery Act (RCRA) listed organic and inorganic compounds in hazardous materials, equivalent methods suitable for the characterization of radioactively contaminated samples are not at the same level of maturity. The Mixed Waste Methods Development Lab. has been established at Los Alamos National Lab. to address the need for such procedures. This presentation will focus on the efforts that have been directed toward the determination of volatile organic compounds (VOCs) in mixed waste matrices. The capabilities of the Mixed Waste Methods Development Lab. will be outlined. Modifications to the containment boxes and analytical instrumentation required for the analyses will be described, as will experimental procedures and system performance benchmarks. Preliminary results from surrogate and real mixed waste matrices will be presented, and future directions for our method development effort will be discussed

Quantification of Biogenic Volatile Organic Compounds with a Flame Ionization Detector Using the Effective Carbon Number Concept

Science.gov (United States)

Faiola, C. L.; Erickson, M. H.; Fricaud, V. L.; Wallace, H. W.; Jobson, B. T.; VanReken, T. M.

2011-12-01

Biogenic volatile organic compounds (BVOCs) are emitted into the atmosphere by plants and include structurally complex organic molecules such as monoterpenes, sesquiterpenes, and their oxygenated derivatives. These BVOCs are among the principle factors influencing the oxidative capacity of the atmosphere in forested regions. BVOC emission rates are often measured by collecting samples onto adsorptive cartridges in the field and then transporting these samples to the laboratory for chromatographic analysis. One of the most commonly used detectors in gas chromatography is the flame ionization detector (FID) due to its broad linear range, high sensitivity, and predictable response to many compounds. The FID response to saturated aliphatic molecules is proportional to carbon number. However, deviations occur as the complexity of the molecular structure increases. To account for these deviations, Sternberg et al. (1962) developed the effective carbon number (ECN) concept, which describes the number of carbons the FID "effectively" responds to. The ECN of a complex molecule can be estimated from the number and type of functional groups present, allowing an estimate of relative response factors for quantification. This approach is particularly useful for applications where samples contain a mixture of organic compounds and standards are not realistically accessible- a common predicament for environmental measurements. ECNs for a limited number of compounds with varying functional groups have been quantified in previous studies. However, there remain large gaps in the variety of compounds for which published data are available. This results in higher than necessary uncertainties when quantifying compounds that are structurally dissimilar to those that have been reported in the literature. The purpose of this study was to determine the ECN for a variety of terpenoid compounds to enable improved quantification of BVOC measurements. A dynamic dilution system was developed to

Dissociation kinetics of iodine in oxygen-containing electrical discharge plasmas

International Nuclear Information System (INIS)

Zakharov, A.I.; Klopovskii, K.S.; Rakhimova, T.V.; Samorodov, V.A.

1993-01-01

Studies of the kinetics of gaseous media containing oxygen and iodine molecules have been stimulated to a substantial degree by the search for ways of improving iodine-oxygen lasers and by the need for information on loss processes for atmospheric ozone. Results are presented from an experimental study and numerical simulations of the kinetics of the dissociation of iodine in self-sustained volume discharges in high-pressure O 2 :Ar:I 2 mixtures. It is shown that the well-studied mechanism for dissociation based on excitation of iodine molecules in successive collisions with singlet oxygen and excited iodine atoms is supplanted by a substantially different mechanism involving the creation and loss of 10 radicals when the densities of atomic oxygen and ozone are high enough. It is also shown that iodine fractions as low as ∼10 -3 in the mixture lead to rapid loss of ozone molecules while less than 18% of the discharge energy is expended in the production of singlet oxygen

Atmospheric Pressure Method and Apparatus for Removal of Organic Matter with Atomic and Ionic Oxygen

Science.gov (United States)

Banks, Bruce A. (Inventor); Rutledge, Sharon K. (Inventor)

1997-01-01

A gas stream containing ionic and atomic oxygen in inert gas is used to remove organic matter from a substrate. The gas stream is formed by flowing a mixture of gaseous oxygen in an inert gas such as helium at atmospheric pressure past a high voltage, current limited, direct current arc which contacts the gas mixture and forms the ionic and atomic oxygen. The arc is curved at the cathode end and the ionic oxygen formed by the arc nearer to the anode end of the arc is accelerated in a direction towards the cathode by virtue of its charge. The relatively high mass to charge ratio of the ionic oxygen enables at least some of it to escape the arc before contacting the cathode and it is directed onto the substrate. This is useful for cleaning delicate substrates such as fine and historically important paintings and delicate equipment and the like.

Accelerated oxygen consumption by catecholamines in the presence of aromatic nitro and nitroso compounds. Implications and neurotoxicity of nitro compounds

International Nuclear Information System (INIS)

Sridhar, K.

1981-01-01

The interactions of catecholamines with nitro and nitroso compounds are studied in view of the possible involvement of catecholamine type neurotransmitters in neurotoxicity caused by hypoxic cell sensitizers. The data reported suggest that neurotoxicity of nitro compounds may be due to depletion of oxygen, catecholamines and ascorbate in nerve tissue with concomitant generation of toxic species such as hydroxyl, hydronitroxyl and superoxide free radicals as well as nitroso and quinonoid derivatives. 5 references, 1 figure

Oxidative treatment of bromide-containing waters: formation of bromine and its reactions with inorganic and organic compounds--a critical review.

Science.gov (United States)

Heeb, Michèle B; Criquet, Justine; Zimmermann-Steffens, Saskia G; von Gunten, Urs

2014-01-01

Bromide (Br(-)) is present in all water sources at concentrations ranging from ≈ 10 to >1000 μg L(-1) in fresh waters and about 67 mg L(-1) in seawater. During oxidative water treatment bromide is oxidized to hypobromous acid/hypobromite (HOBr/OBr(-)) and other bromine species. A systematic and critical literature review has been conducted on the reactivity of HOBr/OBr(-) and other bromine species with inorganic and organic compounds, including micropollutants. The speciation of bromine in the absence and presence of chloride and chlorine has been calculated and it could be shown that HOBr/OBr(-) are the dominant species in fresh waters. In ocean waters, other bromine species such as Br2, BrCl, and Br2O gain importance and may have to be considered under certain conditions. HOBr reacts fast with many inorganic compounds such as ammonia, iodide, sulfite, nitrite, cyanide and thiocyanide with apparent second-order rate constants in the order of 10(4)-10(9)M(-1)s(-1) at pH 7. No rate constants for the reactions with Fe(II) and As(III) are available. Mn(II) oxidation by bromine is controlled by a Mn(III,IV) oxide-catalyzed process involving Br2O and BrCl. Bromine shows a very high reactivity toward phenolic groups (apparent second-order rate constants kapp ≈ 10(3)-10(5)M(-1)s(-1) at pH 7), amines and sulfamides (kapp ≈ 10(5)-10(6)M(-1)s(-1) at pH 7) and S-containing compounds (kapp ≈ 10(5)-10(7)M(-1)s(-1) at pH 7). For phenolic moieties, it is possible to derive second-order rate constants with a Hammett-σ-based QSAR approach with [Formula in text]. A negative slope is typical for electrophilic substitution reactions. In general, kapp of bromine reactions at pH 7 are up to three orders of magnitude greater than for chlorine. In the case of amines, these rate constants are even higher than for ozone. Model calculations show that depending on the bromide concentration and the pH, the high reactivity of bromine may outweigh the reactions of chlorine during

Quantitative Prediction of Solvation Free Energy in Octanol of Organic Compounds

Directory of Open Access Journals (Sweden)

Eduardo J. Delgado

2009-03-01

Full Text Available The free energy of solvation, ΔGS0 , in octanol of organic compunds is quantitatively predicted from the molecular structure. The model, involving only three molecular descriptors, is obtained by multiple linear regression analysis from a data set of 147 compounds containing diverse organic functions, namely, halogenated and non-halogenated alkanes, alkenes, alkynes, aromatics, alcohols, aldehydes, ketones, amines, ethers and esters; covering a ΔGS0 range from about –50 to 0 kJ·mol-1. The model predicts the free energy of solvation with a squared correlation coefficient of 0.93 and a standard deviation, 2.4 kJ·mol-1, just marginally larger than the generally accepted value of experimental uncertainty. The involved molecular descriptors have definite physical meaning corresponding to the different intermolecular interactions occurring in the bulk liquid phase. The model is validated with an external set of 36 compounds not included in the training set.

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 compositional study of nitrogen and oxygen compounds in products of heavy oil primary and secondary upgrading processes. Final report

Energy Technology Data Exchange (ETDEWEB)

Chmielowiec, J.

1986-02-01

The primary objective was to characterize nitrogen and oxygen compound types in the upgraded products derived from Athabasca bitumen. Nitrogen compounds, depending on their nature and concentrations, in charge stocks to catalytic processess (hydro-processes and reforming) can severely limit or poison the catalyst activity. Oxygen compounds are corrosive (especially naphthenic acids) and can promote gum formation as part of the deterioration of the hydrocarbons in the petroleum product. A secondary objective was to evaluate the advantages and limitations of in-house mass spectrometry and infrared spectroscopy methods for analyzing specific classes of polar compounds in naphthas, middle distillates, and gas oils. An analytical procedure that was based on the discrimination of polar compound classes using liquid chromatography followed by mass spectrometric analysis was tested. The chemical intelligence on the fractions obtained from Athabasca bitumen and its upgrading products has been advanced by determining structural characteristics of the nitrogen and oxygen components. This report describes the determination of the distributions of nitrogen and oxygen compounds in samples from various process streams. This procedure is capable of providing information useful for evaluating hydrodenitrogenation and hydrodeoxygenation reactions.

New uranium compounds preparation and use as catalyst for hydrogenation of non-saturated organic compounds

International Nuclear Information System (INIS)

Arnaudet, L.; Folcher, G.

1985-01-01

Preparation of new organic uranium compounds and their use as catalysts for hydrogenation of non-saturated organic compounds are described. These compounds include Uranium III, a cyclopentadienic group, an alkyl group and an acetylenic derivative C 6 H 5 C triple bonds CR fixed by a π bond. Catalysts can be prepared with depleted uanium for hydrogenation of olefins for example [fr

Investigation into organic boron compounds complexing. 25. Triaryl borane complexes with benzimidazole

Energy Technology Data Exchange (ETDEWEB)

Belonovich, M I; Lapkin, I I; Morozova, T L; Okatysheva, L Yu; Rybakova, M N; Yuzhakova, G A [Permskij Gosudarstvennyj Univ. (USSR)

1984-02-01

Coordination of organic boron compounds with heterocyclic ligands is studied. Substances containing one molecule of ligand per one molecule of triarylborane are extracted when mixing ether solution of triarylborane and alcohol solution of benzimidazole. Based on IR spectra it is stated that coordination with boron is realized at the expense of pyridine nitrogen atom of imidazole cycle. Dipole momenta are determined for synthesized complexes using Debye method.

Labelling of some iodinated organic compounds by halogen exchange in organic media

International Nuclear Information System (INIS)

Hallaba, E.; Suhybani, A.Al-; Khowaiter, S.Al-; Abdel-Wahid, M.

1983-01-01

Describes a general method for labelling Rose Bengal in an organic medium. An isotopic exchange technique with interactive iodine as carrier for radioiodine is used. The effect of temperature, carrier, pH of the solvent and solvent are investigated. The optimum conditions for maximum yield of exchange are: .0.2 micro mole carrier inactive iodine per one micro mole of Rose Bengal, reaction mixture is 10ml ethyl alcohol 96% as a solvent for Rose Bengal and 3ml of ether or carbon tetrachloride containing the inactive and radioiodine. In case of ether, the reaction is slow and is completed in two hours with maximum yield of 90% at boiling temperature. Addition of 175 λ of 1 M acetate buffer with carbon tetrachloride gave a yield of 90% in one hour. This method can be applied successfully to label any iodinated organic compound, such as hypuran, thyroxine, tyrosine or aliphatic fatty acids, for application in nuclear medicine. 10 Ref

Investigation of the Makeup, Source, and Removal Strategies for Total Organic Carbon in the Oxygen Generation System Recirculation Loop

Science.gov (United States)

Bowman, Elizabeth M.; Carpenter, Joyce; Roy, Robert J.; Van Keuren, Steve; Wilson, Mark E.

2015-01-01

Since 2007, the Oxygen Generation System (OGS) on board the International Space Station (ISS) has been producing oxygen for crew respiration via water electrolysis. As water is consumed in the OGS recirculating water loop, make-up water is furnished by the ISS potable water bus. A rise in Total Organic Carbon (TOC) was observed beginning in February, 2011, which continues through the present date. Increasing TOC is of concern because the organic constituents responsible for the TOC were unknown and had not been identified; hence their impacts on the operation of the electrolytic cell stack components and on microorganism growth rates and types are unknown. Identification of the compounds responsible for the TOC increase, their sources, and estimates of their loadings in the OGA as well as possible mitigation strategies are presented.

Electron attachment to oxygen, ozone and other compounds of atmospheric relevance as studied with ultra-high energy resolution

International Nuclear Information System (INIS)

Maerk, T.D.; Matejcik, S.; Kiendler, A.; Cicman, P.; Senn, G.; Skalny, J.; Stampfli, P.; Illenberger, E.; Chu, Y.; Stamatovic, A.

1996-01-01

The processes of electron attachment to oxygen, ozone, ozone/oxygen cluster and oxygen cluster as well as other compounds of atmospheric relevance (CF 2 Cl 2 , CHCl 3 and CCl 3 Br) were studied with ultra-high energy resolution crossed beam technique

Recent N-Atom Containing Compounds from Indo-Pacific Invertebrates

Directory of Open Access Journals (Sweden)

Ashgan Bishara

2010-11-01

Full Text Available A large variety of unique N-atom containing compounds (alkaloids without terrestrial counterparts, have been isolated from marine invertebrates, mainly sponges and ascidians. Many of these compounds display interesting biological activities. In this report we present studies on nitrogenous compounds, isolated by our group during the last few years, from Indo-Pacific sponges, one ascidian and one gorgonian. The major part of the review deals with metabolites from the Madagascar sponge Fascaplysinopsis sp., namely, four groups of secondary metabolites, the salarins, tulearins, taumycins and tausalarins.

Caution on the storage of waters and aqueous solutions in plastic containers for hydrogen and oxygen stable isotope analysis.

Science.gov (United States)

Spangenberg, Jorge E

2012-11-30

The choice of containers for storage of aqueous samples between their collection, transport and water hydrogen ((2)H) and oxygen ((18)O) stable isotope analysis is a topic of concern for a wide range of fields in environmental, geological, biomedical, food, and forensic sciences. The transport and separation of water molecules during water vapor or liquid uptake by sorption or solution and the diffusive transport of water molecules through organic polymer material by permeation or pervaporation may entail an isotopic fractionation. An experiment was conducted to evaluate the extent of such fractionation. Sixteen bottle-like containers of eleven different organic polymers, including low and high density polyethylene (LDPE and HDPE), polypropylene (PP), polycarbonate (PC), polyethylene terephthalate (PET), and perfluoroalkoxy-Teflon (PFA), of different wall thickness and size were completely filled with the same mineral water and stored for 659 days under the same conditions of temperature and humidity. Particular care was exercised to keep the bottles tightly closed and prevent loss of water vapor through the seals. Changes of up to +5‰ for δ(2)H values and +2.0‰ for δ(18)O values were measured for water after more than 1 year of storage within a plastic container, with the magnitude of change depending mainly on the type of organic polymer, wall thickness, and container size. The most important variations were measured for the PET and PC bottles. Waters stored in glass bottles with Polyseal™ cone-lined PP screw caps and thick-walled HDPE or PFA containers with linerless screw caps having an integrally molded inner sealing ring preserved their original δ(2)H and δ(18)O values. The carbon, hydrogen, and oxygen stable isotope compositions of the organic polymeric materials were also determined. The results of this study clearly show that for precise and accurate measurements of the water stable isotope composition in aqueous solutions, rigorous sampling and

A gravimetric method for the determination of oxygen in uranium oxides and ternary uranium oxides by addition of alkaline earth compounds

International Nuclear Information System (INIS)

Fujino, Takeo; Tagawa, Hiroaki; Adachi, Takeo; Hashitani, Hiroshi

1978-01-01

A simple gravimetric determination of oxygen in uranium oxides and ternary uranium oxides is described. In alkaline earth uranates which are formed by heating in air at 800-1100 0 C, uranium is in the hexavalent state over certain continuous ranges of alkaline earth-to-uranium ratios. Thus, if an alkaline earth uranate or a compound containing an alkaline earth element, e.g. MgO, is mixed with the oxide sample and heated in air under suitable conditions, oxygen can be determined from the weight change before and after the reaction. The standard deviation of the O:U ratio for a UOsub(2+x) test sample is +-0.0008-0.001, if a correction is applied for atmospheric moisture absorbed during mixing. (Auth.)

Formation of emerging DBPs from the chlorination and chloramination of seawater algal organic matter and related model compounds

KAUST Repository

Nihemaiti, Maolida

2014-05-01

Limited studies focused on reactions occurring during disinfection and oxidation processes of seawater. The aim of this work was to investigate disinfection by-products (DBPs) formation from the chlorination and chloramination of seawater algal organic matter and related model compounds. Simulated algal blooms directly growing in Red Sea, red tide samples collected during an algal bloom event and Hymenomonas sp. monoculture were studied as algal organic matter sources. Experiments were conducted in synthetic seawater containing bromide ion. A variety of DBPs was formed from the chlorination and chloramination of algal organic matter. Brominated DBPs (bromoform, DBAA, DBAN and DBAcAm) were the dominant species. Iodinated DBPs (CIAcAm and iodinated THMs) were detected, which are known to be highly toxic compared to their chlorinated or brominated analogues. Algal organic matter was found to incorporate important precursors of nitrogenous DBPs (N-DBPs), which have been reported to be more toxic than regulated THMs and HAAs. Isotopically-labeled monochloramine (15N- NH2Cl) was used in order to investigate the nitrogen source in N-DBPs. High formation of N-DBPs was found from Hymenomonas sp. sample in exponential growth phase, which was enriched in nitrogen-containing organic compounds. High inorganic nitrogen incorporation was found from the algal samples enriched in humic-like compounds. HAcAms formation was studied from chlorination and chloramination of amino acids. Asparagine, aspartic acid and other amino acids with an aromatic structure were found to be important precursors of HAcAms and DCAN. Factors affecting HAcAms formation (Cl2/ amino acid molar ratio and pH) were evaluated. Studies on the formation kinetics of DCAcAm and DCAN from asparagine suggested a rapid formation of DCAcAm from organic nitrogen (amide group) and a slower incorporation of inorganic nitrogen coming from monochloramine to form DCAN. High amounts of DCAN and DCAcAm were detected from the

Method for determining the composition of the sugar moiety of a sugar containing compound

DEFF Research Database (Denmark)

2016-01-01

The present invention relates to methods of labeling sugar moieties of sugar containing compounds including glycopeptides. The compounds presented in the present invention facilitate reliable detection of sugar moieties of sugar containing compounds by a combination of spectroscopy methods...

A new method for determining gas phase heat of formation of aromatic energetic compounds

Energy Technology Data Exchange (ETDEWEB)

Keshavarz, Mohammad H. [Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr P. O. Box 83145/115 (Iran); Tehrani, Masoud K. [Department of Physics, Malek-ashtar University of Technology, Shahin-shahr P. O. Box 83145/115 (Iran)

2007-04-15

A new correlation is introduced for desk calculation of gas phase heat of formation of aromatic energetic compounds that contain the elements of carbon, hydrogen, nitrogen and oxygen. Predicted gas phase heats of formation for 26 energetic compounds have a root mean square of deviation from experiment of 20.67 kJ/mol, which is in good agreement with respect to measured values of oxygen-lean and oxygen-rich aromatic energetic compounds. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

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.

Gradual and stepwise pyrolyses of insoluble organic matter from the Murchison meteorite revealing chemical structure and isotopic distribution

Science.gov (United States)

Okumura, Fumiaki; Mimura, Koichi

2011-11-01

To study the detailed structural and isotopic heterogeneity of the insoluble organic matter (IOM) of the Murchison meteorite, we performed two types of pyrolytic experiments: gradual pyrolysis and stepwise pyrolysis. The pyrolysates from the IOM contained 5 specific organic groups: aliphatic hydrocarbons, aromatic hydrocarbons, sulfur-bearing compounds, nitrogen-bearing compounds, and oxygen-bearing compounds. The release temperatures and the compositions of these pyrolysates demonstrated that the IOM is composed of a thermally unstable part and a thermally stable part. The thermally unstable part mainly served as the linkage and substituent portion that bound the thermally stable part, which was dispersed throughout the IOM. The linkage and substituent portion consisted of aliphatic hydrocarbons from C 4 to C 8, aromatic hydrocarbons with up to 6 rings, sulfo and thiol groups (the main reservoirs of sulfur in the IOM), and carboxyl and hydroxyl groups (the main reservoirs of oxygen). However, the thermally stable part was composed of polycyclic aromatic hydrocarbons (PAHs) containing nitrogen heterocycles in the IOM. Isotopic data showed that the aliphatic and aromatic hydrocarbons in the linkage and substituent portion were rich in D and 13C, while the thermally stable part was deficient in D and 13C. The structural and isotopic features suggested that the IOM was formed by mixing sulfur- and oxygen-bearing compounds rich in D and 13C (e.g., polar compounds in the interstellar medium (ISM)) and nitrogen-bearing PAHs deficient in D and 13C (e.g., polymerized compounds in the ISM).

Toxic pollutants emitted from thermal decomposition of phthalimide compounds

Energy Technology Data Exchange (ETDEWEB)

Chen Kai; Mackie, John C.; Wojtalewicz, Dominika; Kennedy, Eric M. [Process Safety and Environmental Protection Research Group, School of Engineering, The University of Newcastle, Callaghan, New South Wales 2308 (Australia); Dlugogorski, Bogdan Z., E-mail: Bogdan.Dlugogorski@newcastle.edu.au [Process Safety and Environmental Protection Research Group, School of Engineering, University of Newcastle, Callaghan, New South Wales 2308 (Australia)

2011-03-15

Phthalimide (PI) and tetrahydrophthalimide (THPI) are two structurally similar compounds extensively used as intermediates for the synthesis of variety of industrial chemicals. This paper investigates the thermal decomposition of PI and THPI under oxygen rich to oxygen lean conditions, quantifying the production of toxicants and explaining their formation pathways. The experiments involved a plug flow reactor followed by silica cartridges, activated charcoal trap and a condenser, with the decomposition products identified and quantified by Fourier transform infrared spectroscopy (FTIR), gas chromatography-mass spectrometry (GC-MS) and micro gas chromatography ({mu}GC). The density functional theory (DFT) calculations served to obtain dissociation energies and reaction pathways, to elucidate the reaction mechanism. The oxidation of PI and THPI produced several toxic nitrogen-containing gases and volatile organic compounds, including hydrogen cyanide, isocyanic acid, nitrogen oxides, benzonitrile, maleimide and tentatively identified benzenemethanimine. The detection of dibenzo-p-dioxin (DD) and dibenzofuran (DF) suggests potential formation of the toxic persistent organic pollutants (POPs) in fires involving PI and THPI, in presence of a chlorine source. The oxidation of THPI produced 2-cyclohexen-1-one, a toxic unsaturated ketone. The results of the present study provide the data for quantitative risk assessments of emissions of toxicants in combustion processes involving PI and THPI.

Toxic pollutants emitted from thermal decomposition of phthalimide compounds

International Nuclear Information System (INIS)

Chen Kai; Mackie, John C.; Wojtalewicz, Dominika; Kennedy, Eric M.; Dlugogorski, Bogdan Z.

2011-01-01

Phthalimide (PI) and tetrahydrophthalimide (THPI) are two structurally similar compounds extensively used as intermediates for the synthesis of variety of industrial chemicals. This paper investigates the thermal decomposition of PI and THPI under oxygen rich to oxygen lean conditions, quantifying the production of toxicants and explaining their formation pathways. The experiments involved a plug flow reactor followed by silica cartridges, activated charcoal trap and a condenser, with the decomposition products identified and quantified by Fourier transform infrared spectroscopy (FTIR), gas chromatography-mass spectrometry (GC-MS) and micro gas chromatography (μGC). The density functional theory (DFT) calculations served to obtain dissociation energies and reaction pathways, to elucidate the reaction mechanism. The oxidation of PI and THPI produced several toxic nitrogen-containing gases and volatile organic compounds, including hydrogen cyanide, isocyanic acid, nitrogen oxides, benzonitrile, maleimide and tentatively identified benzenemethanimine. The detection of dibenzo-p-dioxin (DD) and dibenzofuran (DF) suggests potential formation of the toxic persistent organic pollutants (POPs) in fires involving PI and THPI, in presence of a chlorine source. The oxidation of THPI produced 2-cyclohexen-1-one, a toxic unsaturated ketone. The results of the present study provide the data for quantitative risk assessments of emissions of toxicants in combustion processes involving PI and THPI.

Potential of select intermediate-volatility organic compounds and consumer products for secondary organic aerosol and ozone formation under relevant urban conditions

Science.gov (United States)

Li, Weihua; Li, Lijie; Chen, Chia-li; Kacarab, Mary; Peng, Weihan; Price, Derek; Xu, Jin; Cocker, David R.

2018-04-01

Emissions of certain low vapor pressure-volatile organic compounds (LVP-VOCs) are considered exempt to volatile organic compounds (VOC) regulations due to their low evaporation rates. However, these compounds may still play a role in ambient secondary organic aerosol (SOA) and ozone formation. The LVP-VOCs selected for this work are categorized as intermediate-volatility organic compounds (IVOCs) according to their vapor pressures and molecular formulas. In this study, the evaporation rates of 14 select IVOCs are investigated with half of them losing more than 95% of their mass in less than one month. Further, SOA and ozone formation are presented from 11 select IVOCs and 5 IVOC-containing generic consumer products under atmospherically relevant conditions using varying radical sources (NOx and/or H2O2) and a surrogate reactive organic gas (ROG) mixture. Benzyl alcohol (0.41), n-heptadecane (0.38), and diethylene glycol monobutyl ether (0.16) are determined to have SOA yields greater than 0.1 in the presence of NOx and a surrogate urban hydrocarbon mixture. IVOCs also influence ozone formation from the surrogate urban mixture by impacting radical levels and NOx availability. The addition of lab created generic consumer products has a weak influence on ozone formation from the surrogate mixture but strongly affects SOA formation. The overall SOA and ozone formation of the generic consumer products could not be explained solely by the results of the pure IVOC experiments.

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

DEFF Research Database (Denmark)

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

years as well as soil types. The results showed that contents of neither polyacetylenes and carotenoids in carrots, flavonoids in onions, nor phenolic acids in carrots and potatoes were significantly influenced by growth system. Thus it could not be concluded that the organically grown crops had higher...... 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...

Hybrid energy storage systems utilizing redox active organic compounds

Science.gov (United States)

Wang, Wei; Xu, Wu; Li, Liyu; Yang, Zhenguo

2015-09-08

Redox flow batteries (RFB) have attracted considerable interest due to their ability to store large amounts of power and energy. Non-aqueous energy storage systems that utilize at least some aspects of RFB systems are attractive because they can offer an expansion of the operating potential window, which can improve on the system energy and power densities. One example of such systems has a separator separating first and second electrodes. The first electrode includes a first current collector and volume containing a first active material. The second electrode includes a second current collector and volume containing a second active material. During operation, the first source provides a flow of first active material to the first volume. The first active material includes a redox active organic compound dissolved in a non-aqueous, liquid electrolyte and the second active material includes a redox active metal.

Effect of some metal-containing compounds and fertilizers on ...

African Journals Online (AJOL)

USER

2010-06-28

Jun 28, 2010 ... grown on potato dextrose agar (PDA, BDH Ltd, UK 39 g/l) medium, maintained on PDA medium and stored at 4°C for further use. In this experiment, the mycelia growth capability of the Trichoderma isolates against some metal-containing compounds and fertilizers, consist of MgSO4.7H2O (containing ...

Gas phase reactions of organic iodine in containment conditions

International Nuclear Information System (INIS)

Kaerkalae, T.; Holm, J.; Auvinen, A.; Zilliacus, R.; Kajolinna, T.; Tapper, U.; Gaenneskog, H.; Ekberg, C.

2010-01-01

In case of a hypothetical severe accident it is very likely that iodine at least partly deposits on painted walls of a reactor containment building. Iodine may react with painted surfaces to form organic iodine species. These organic species are a possible source of volatile iodine, which may increase the fraction of releasable iodine. Therefore, it is important to study the transport of organic iodine in containment conditions. Another question is, in which form are the organic iodides transported as gaseous molecules or as aerosol particles resulting from organic iodides reacting with radiolysis products. To answer this last question methyl iodide was fed into the EXSI facility in an air mixture. In some experiments the flow contained also humidity. The reactions took place in a quartz tube heated either to 50 deg. C, 90 deg. C or 120 deg. C. UV-light was used as a source of radiation to produce ozone from oxygen. A separate generator was also applied to reach higher ozone concentrations. Nucleated aerosol particles were collected on plane filters and gaseous iodine species were trapped in trapping bottles. Aerosol mass flow rate and size distribution as well as speciation of gaseous reaction products were measured with several on-line instruments. Collected aerosol particles were analysed with SEM. It was found that the formation of aerosol particles was very fast when ozone and methyl iodide were present in the facility. Even a very low concentration of ozone produced high number concentration of particles. The measured aerosol mass concentration increased with increasing temperature and ozone concentration. Because the particle diameter was quite small (<180 nm), their settling velocity is low. Therefore, iodine containing aerosols may exist in containment atmosphere for a long period of time. Part of methyl iodide was always transported through the facility regardless of experimental conditions. All ozone was consumed in the reactions when only UV-light was

Mechanochemical synthesis of organic compounds and composites with their participation

Energy Technology Data Exchange (ETDEWEB)

Lyakhov, Nikolai Z; Grigorieva, Tatiana F; Barinova, Antonina P; Vorsina, I A [Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Novosibirsk (Russian Federation)

2010-05-13

The results of experimental studies in the mechanochemical synthesis of organic compounds and composites with their participation published over the last 15 years are described systematically. The key reactions of organic compounds are considered: synthesis of the salts of organic acids, acylation, substitution, dehalogenation, esterification, hydrometallation and other reactions. Primary attention is devoted to systems and compounds that cannot be obtained by traditional chemistry methods.

Release of non-methane organic compounds during simulated landfilling of aerobically pretreated municipal solid waste.

Science.gov (United States)

Zhang, Yuanyuan; Yue, Dongbei; Liu, Jianguo; Lu, Peng; Wang, Ying; Liu, Jing; Nie, Yongfeng

2012-06-30

Characteristics of non-methane organic compounds (NMOCs) emissions during the anaerobic decomposition of untreated (APD-0) and four aerobically pretreated (APD-20, APD-39, APD-49, and APD-63) samples of municipal solid waste (MSW) were investigated in laboratory. The cumulative mass of the NMOCs of APD-20, APD-39, APD-49, and APD-63 accounted for 15%, 9%, 16%, and 15% of that of APD-0, respectively. The intensities of the NMOC emissions calculated by dividing the cumulative NMOC emissions by the quantities of organic matter removed (Q(VS)) decreased from 4.1 mg/kg Q(VS) for APD-0 to 0.8-3.4 mg/kg Q(VS) for aerobically pretreated MSW. The lipid and starch contents might have significant impact on the intensity of the NMOC emissions. Alkanes dominated the NMOCs released from the aerobically pretreated MSW, while oxygenated compounds were the chief component of the NMOCs generated from untreated MSW. Aerobic pretreatment of MSW prior to landfilling reduces the organic content of the waste and the intensity of the NMOC emissions, and increases the odor threshold, thereby reducing the environmental impact of landfills. Copyright © 2012 Elsevier Ltd. All rights reserved.

The Formation of Complex Organic Compounds in Astrophysical Ices and their Implications for Astrobiology

Science.gov (United States)

Sandford, Scott A.

2015-01-01

Ices in astrophysical environments are generally dominated by very simple molecules like H2O, CH3OH, CH4, NH3, CO, CO2, etc, although they likely contain PAHs as well. These molecules, particularly H2O, are of direct interest to astrobiology in-and-of themselves since they represent some of the main carriers of the biogenic elements C, H, O, and N. In addition, these compounds are present in the dense interstellar clouds in which new stars and planetary systems are formed and may play a large role in the delivery of volatiles and organics to the surfaces of new planets. However, these molecules are all far simpler than the more complex organic compounds found in living systems.

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.

Comparison of the chemical composition of dissolved organic matter in three lakes in Minnesota

Science.gov (United States)

Cao, Xiaoyan; Aiken, George R.; Butler, Kenna D.; Mao, Jingdong; Schmidt-Rohr, Klaus

2018-01-01

New information on the chemical composition of dissolved organic matter (DOM) in three lakes in Minnesota has been gained from spectral editing and two-dimensional nuclear magnetic resonance (NMR) methods, indicating the effects of lake hydrological settings on DOM composition. Williams Lake (WL), Shingobee Lake (SL), and Manganika Lake (ML) had different source inputs, and the lake water residence time (WRT) of WL was markedly longer than that of SL and ML. The hydrophobic organic acid (HPOA) and transphilic organic acid (TPIA) fractions combined comprised >50% of total DOM in these lakes, and contained carboxyl-rich alicyclic molecules (CRAM), aromatics, carbohydrates, and N-containing compounds. The previously understudied TPIA fractions contained fewer aromatics, more oxygen-rich CRAM, and more N-containing compounds compared to the corresponding HPOA. CRAM represented the predominant component in DOM from all lakes studied, and more so in WL than in SL and ML. Aromatics including lignin residues and phenols decreased in relative abundances from ML to SL and WL. Carbohydrates and N-containing compounds were minor components in both HPOA and TPIA and did not show large variations among the three lakes. The increased relative abundances of CRAM in DOM from ML, SL to WL suggested the selective preservation of CRAM with increased residence time.

Photocatalytic oxidation of organic compounds in a hybrid system composed of a molecular catalyst and visible light-absorbing semiconductor.

Science.gov (United States)

Zhou, Xu; Li, Fei; Li, Xiaona; Li, Hua; Wang, Yong; Sun, Licheng

2015-01-14

Photocatalytic oxidation of organic compounds proceeded efficiently in a hybrid system with ruthenium aqua complexes as catalysts, BiVO4 as a light absorber, [Co(NH3)5Cl](2+) as a sacrificial electron acceptor and water as an oxygen source. The photogenerated holes in the semiconductor are used to oxidize molecular catalysts into the high-valent Ru(IV)=O intermediates for 2e(-) oxidation.

Determination of Fluorine in Fluoro-Organic Compounds in Low Concentrations in Air

Science.gov (United States)

1944-06-27

Analysis of 2-Fluoroethanol in Air ..... SUMMARY BIBLIOGRAPHY 15 APPENDIX , 16 FIGURE 1 Apparatus PLATE 1 CDS Scrubber SECRET ) SECRET...liter, and 68$ at 1 - 2 mg. per liter. By using two scrubbers in series, 90$ of di-isopropyl fluorophosphate was recovered at a concentration of 1 to 2...chromic acid and detection of HP by etching of the glass container ; (5) scrub- bing the gas with ammonia and decomposing the fluoro-organic compound4

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.

Si-O compound formation by oxygen ion implantation into silicon

International Nuclear Information System (INIS)

Hensel, E.; Wollschlaeger, K.; Kreissig, U.; Skorupa, W.; Schulze, D.; Finster, J.

1985-01-01

High dose oxygen ion implantation into silicon at 30 keV was performed to produce understoichiometric and stoichiometric surface oxide layers of approx. 160 nm thickness. The oxygen depth profile and oxide stoichiometry was determined by RBS and XPS. Si-O compound formation was found by IR spectroscopy and XPS in the unannealed samples as well as after target heating, furnace or flash lamp annealing. As implanted understoichiometric layers consist of random bonding like SiOsub(x) (O 2 after annealing. Unannealed stoichiometric layers are bond strained SiO 2 . The activation energies of demixing and of the annealing of bond strains are determined to 0.19 and 0.13 eV, respectively. The removing of bond strains occurs at temperatures >= 800 C in a time shorter than 1 s. The SiO 2 /Si transition region of unannealed stoichiometric layers consists of SiOsub(x) with an extent of about 10 nm. After annealing this extent diminishes to 0.8 to 1 nm in consequence of oxidation by excess oxygen from the overstoichiometric oxide region. This thickness is comparable with that of thermal oxide. (author)

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.

Phosphate incorporation in organic compounds in roots of maize

Energy Technology Data Exchange (ETDEWEB)

Michalik, I; Ivanko, S [Vysoka Skola Polnohospodarska, Nitra (Czechoslovakia)

1976-01-01

/sup 32/P incorporation and metabolism was investigated for short exposure times of 1 sec, 10 sec and 1, 10, 30 and 120 min. By stepwise extraction with a methanol-chloroform-formic acid-water mixture, various fractions of P compounds were obtained. Low-molecular acid-soluble P compounds were separated by one-dimensional paper chromatography. Of the total amount of /sup 32/P absorbed by the roots of maize in the form of phosphate ions during the short incubation time of 1 sec, more than 33% was incorporated into organic compounds. With increasing incubation time, the proportion of /sup 32/P in low-molecular organic compounds increased with the decreasing proportion of inorganic phosphorus. In the 1 sec, exposure incorporation was found in 3 low-molecular organic compounds only, namely ATP, ADP and diphosphoglyceric acid. The /sup 32/P incorporation into ATP and ADP, in contrast with incorporation into diphosphoglyceric acid, increased markedly with increased exposure time.

Phosphate incorporation in organic compounds in roots of maize

International Nuclear Information System (INIS)

Michalik, I.; Ivanko, S.

1976-01-01

32 P incorporation and metabolism was investigated for short exposure times of 1 sec, 10 sec and 1, 10, 30 and 120 min. By stepwise extraction with a methanol-chloroform-formic acid-water mixture, various fractions of P compounds were obtained. Low-molecular acid-soluble P compounds were separated by one-dimensional paper chromatography. Of the total amount of 32 P absorbed by the roots of maize in the form of phosphate ions during the short incubation time of 1 sec, more than 33% was incorporated into organic compounds. With increasing incubation time, the proportion of 32 P in low-molecular organic compounds increased with the decreasing proportion of inorganic phosphorus. In the 1 sec, exposure incorporation was found in 3 low-molecular organic compounds only, namely ATP, ADP and diphosphoglyceric acid. The 32 P incorporation into ATP and ADP, in contrast with incorporation into diphosphoglyceric acid, increased markedly with increased exposure time. (author)

Characteristics and Biodegradability of Wastewater Organic Matter in Municipal Wastewater Treatment Plants Collecting Domestic Wastewater and Industrial Discharge

Directory of Open Access Journals (Sweden)

Yun-Young Choi

2017-06-01

Full Text Available Municipal wastewater treatment plants (WWTPs in Korea collect and treat not only domestic wastewater, but also discharge from industrial complexes. However, some industrial discharges contain a large amount of non-biodegradable organic matter, which cannot be treated properly in a conventional biological WWTP. This study aimed to investigate the characteristics and biodegradability of the wastewater organic matter contained in the industrial discharges and to examine the fate of the industrial discharges in a biological WWTP. In contrast to most previous studies targeting a specific group of organic compounds or traditional water quality indices, such as biological oxygen demand (BOD and chemical oxygen demand (COD, this study was purposed to quantify and characterize the biodegradable and nonbiodegradable fractions of the wastewater organic matter. Chemical oxygen demand (COD fractionation tests and fluorescence spectroscopy revealed that the industrial discharge from dyeing or pulp mill factories contained more non-biodegradable soluble organic matter than did the domestic wastewater. Statistical analysis on the WWTPs’ monitoring data indicated that the industrial discharge containing non-biodegradable soluble organic matter was not treated effectively in a biological WWTP, but was escaping from the system. Thus, industrial discharge that contained non-biodegradable soluble organic matter was a major factor in the decrease in biodegradability of the discharge, affecting the ultimate fate of wastewater organic matter in a biological WWTP. Further application of COD fractionation and fluorescence spectroscopy to wastewaters, with various industrial discharges, will help scientists and engineers to better design and operate a biological WWTP, by understanding the fate of wastewater organic matter.

Mass spectrometric investigation of vinyl-substituted organic boron compounds

International Nuclear Information System (INIS)

Tarielashvili, V.O.; Ordzhonikidze, K.G.; Parulava, L.P.; Vakhaniya, G.V.

1992-01-01

Mass spectrometric investigation of vinyl-substituted organic compounds was conducted. Ionization was performed by electron shock. Possibility of determining boron isotope content is all analyzed organic boron vinyl-substituted compounds by direct method is shown. This simplifies sufficiently and lowers the price of analysis, improves its accuracy and rapidity

using stereochemistry models in teaching organic compounds

African Journals Online (AJOL)

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The purpose of the study was to find out the effect of stereochemistry models on students' ... consistent with the names given to organic compounds. Some of ... Considering class level, what is the performance of the students in naming organic.

In Vivo Metabolism in Rats of Cyanide -Containing Compounds ...

African Journals Online (AJOL)

Iayer chromatography indicated the presence of novel cyanide-containing compounds, which were shown chemically to be cyanohydrin (Rf, 0.25) ands nitrile (Rf, 0.645). Administration of the eluates of those chromatographically identified CN- ...

Developments in Synthetic Application of Selenium(IV Oxide and Organoselenium Compounds as Oxygen Donors and Oxygen-Transfer Agents

Directory of Open Access Journals (Sweden)

Jacek Młochowski

2015-06-01

Full Text Available A variety of selenium compounds were proven to be useful reagents and catalysts for organic synthesis over the past several decades. The most interesting aspect, which emerged in recent years, concerns application of hydroperoxide/selenium(IV oxide and hydroperoxide/organoselenium catalyst systems, as “green reagents” for the oxidation of different organic functional groups. The topic of oxidations catalyzed by organoselenium derivatives has rapidly expanded in the last fifteen years This paper is devoted to the synthetic applications of the oxidation reactions mediated by selenium compounds such as selenium(IV oxide, areneseleninic acids, their anhydrides, selenides, diselenides, benzisoselenazol-3(2H-ones and other less often used other organoselenium compounds. All these compounds have been successfully applied for various oxidations useful in practical organic syntheses such as epoxidation, 1,2-dihydroxylation, and α-oxyfunctionalization of alkenes, as well as for ring contraction of cycloalkanones, conversion of halomethyl, hydroxymethyl or active methylene groups into formyl groups, oxidation of carbonyl compounds into carboxylic acids and/or lactones, sulfides into sulfoxides, and secondary amines into nitrones and regeneration of parent carbonyl compounds from their azomethine derivatives. Other reactions such as dehydrogenation and aromatization, active carbon-carbon bond cleavage, oxidative amidation, bromolactonization and oxidation of bromide for subsequent reactions with alkenes are also successfully mediated by selenium (IV oxide or organoselenium compounds. The oxidation mechanisms of ionic or free radical character depending on the substrate and oxidant are discussed. Coverage of the literature up to early 2015 is provided. Links have been made to reviews that summarize earlier literature and to the methods of preparation of organoselenium reagents and catalysts.

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…

Sunlight creates oxygenated species in water-soluble fractions of Deepwater horizon oil

Energy Technology Data Exchange (ETDEWEB)

Ray, Phoebe Z. [Department of Chemistry, University of New Orleans, New Orleans, LA 70148 (United States); Chen, Huan [National High Magnetic Field Laboratory, Florida State University, 1800 East Paul Dirac Drive, Tallahassee, FL 32310-4005 (United States); Podgorski, David C. [National High Magnetic Field Laboratory, Florida State University, 1800 East Paul Dirac Drive, Tallahassee, FL 32310-4005 (United States); Future Fuels Institute, Florida State University, 1800 East Paul Dirac Drive, Tallahassee, FL 32310-4005 (United States); McKenna, Amy M. [National High Magnetic Field Laboratory, Florida State University, 1800 East Paul Dirac Drive, Tallahassee, FL 32310-4005 (United States); Tarr, Matthew A., E-mail: mtarr@uno.edu [Department of Chemistry, University of New Orleans, New Orleans, LA 70148 (United States)

2014-09-15

Graphical abstract: Sunlight oxygenates petroleum. - Highlights: • Oxidation seen in water-soluble oil fraction after exposure to simulated sunlight. • Oxygen addition occurred across a wide range of carbon number and DBE. • Oil compounds were susceptible to addition of multiple oxygens to each molecule. • Results provide understanding of fate of oil on water after exposure to sunlight. - Abstract: In order to assess the impact of sunlight on oil fate, Macondo well oil from the Deepwater Horizon (DWH) rig was mixed with pure water and irradiated with simulated sunlight. After irradiation, the water-soluble organics (WSO) from the dark and irradiated samples were extracted and characterized by ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Liquid–liquid extraction yielded two fractions from dark and irradiated water/oil mixtures: acidic WSOs (negative-ion electrospray (ESI)), and base/neutral WSOs (positive-ion ESI) coupled to FT-ICR MS to catalog molecular-level transformations that occur to Macondo-derived WSOs after solar irradiation. Such direct measure of oil phototransformation has not been previously reported. The most abundant heteroatom class detected in the irradiated WSO acid fractions correspond to molecules that contain five oxygens (O{sub 5}), while the most abundant acids in the dark samples contain two oxygen atoms per molecule (O{sub 2}). Higher-order oxygen classes (O{sub 5}–O{sub 9}) were abundant in the irradiated samples, but <1.5% relative abundance in the dark sample. The increased abundance of higher-order oxygen classes in the irradiated samples relative to the dark samples indicates that photooxidized components of the Macondo crude oil become water-soluble after irradiation. The base/neutral fraction showed decreased abundance of pyridinic nitrogen (N{sub 1}) concurrent with an increased abundance of N{sub 1}O{sub x} classes after irradiation. The predominance of higher

Identification of volatile organic compounds (VOCs in plastic products using gas chromatography and mass spectrometry (GC/MS

Directory of Open Access Journals (Sweden)

Nerlis Pajaro-Castro

2014-10-01

Full Text Available Plastic materials are widely used in daily life. They contain a wide range of compounds with low molecular mass, including monomeric and oligomeric residues of polymerization, solvent-related chemicals residues, and various additives. Plastic products made of expanded polystyrene (EPS are currently employed as food containers. This study therefore sought to identify volatile organic compounds released by EPS from food packages and utensils used in Cartagena, Colombia. EPS-based plates, food and soup containers were subjected to various temperatures and released chemicals captured by solid phase microextraction, followed by on-column thermal desorption and gas chromatography/mass spectrometry analysis. The results revealed the presence of at least 30 different compounds in the EPS-based products examined; the most frequently found were benzaldehyde, styrene, ethylbenzene and tetradecane. The release of these molecules was temperature-dependent. It is therefore advisable to regulate the use of EPS products which may be subjected to heating in order to protect human health by decreasing the exposure to these chemicals.

Contemporary 14C radiocarbon levels of oxygenated polybrominated diphenyl ethers (O-PBDEs) isolated in sponge–cyanobacteria associations

Science.gov (United States)

Guitart, Carlos; Slattery, Marc; Ankisetty, Sridevi; Radwan, Mohamed; Ross, Samir J.; Letcher, Robert J.; Reddy, Christopher M.

2016-01-01

Considerable debate surrounds the sources of oxygenated polybrominated diphenyl ethers (O-PBDEs) in wildlife as to whether they are naturally produced or result from anthropogenic industrial activities. Natural radiocarbon (14C) abundance has proven to be a powerful tool to address this problem as recently biosynthesized compounds contain contemporary (i.e. modern) amounts of atmospheric radiocarbon; whereas industrial chemicals, mostly produced from fossil fuels, contain no detectable 14C. However, few compounds isolated from organisms have been analyzed for their radiocarbon content. To provide a baseline, we analyzed the 14C content of four O-PBDEs. These compounds, 6-OH-BDE47, 2′-OHBDE68, 2′,6-diOH-BDE159, and a recently identified compound, 2′-MeO-6-OH-BDE120, were isolated from the tropical marine sponges Dysidea granulosa and Lendenfeldia dendyi. The modern radiocarbon content of their chemical structures (i.e. diphenyl ethers, C12H22O) indicates that they are naturally produced. This adds to a growing baseline on, at least, the sources of these unusual compounds. PMID:21276990

Oxygen enhancement of groundwater using an oxygen releasing compound in a funnel-and-gate system

Energy Technology Data Exchange (ETDEWEB)

Thomas, D G

1994-01-01

ORC is a fine white MgO[sub 2] powder treated with a patented process so that a slow, relatively steady release of oxygen occurs when the powder is in contact with water. Recent work suggests ORC could potentially be used to increase the dissolved oxygen (DO) concentration of ground water, thereby enhancing the biodegradation of dissolved phase contaminants such as benzene and toluene from gasoline spills. Field and laboratory tests were performed to evaluate the oxygen release characteristics of ORC when mixed with filter sand and exposed to groundwater from an aquifer in Ontario. Quasi steady state oxygen release rates of 0.013-0.030 and 0.030 mg O[sub 2]/d per g of ORC were determined from the column and field tests respectively. The column tests indicated that steady state oxygen release conditions from the ORC required ca 90 d after initial contact with water, but field data indicated that oxygen release rate may continue to decrease. Falling head permeameter tests indicated that a maximum drop in hydraulic conductivity occurred within the first 48 h of exposure of ORC to water. Both laboratory and field studies indicated that ORC-contacted water increased in pH. Field studies further suggested an inverse correlation between pH increases and the ability of ORC to enhance DO concentration of ground water. The use of ORC in a funnel-and-gate scheme appears to be an effective means of increasing the DO concentration in ground water, thereby stimulating the in-situ bioremediation of many organic contaminants. 30 refs., 17 figs., 12 tabs.

Microbial Communities and Organic Matter Composition in Surface and Subsurface Sediments of the Helgoland Mud Area, North Sea

Science.gov (United States)

Oni, Oluwatobi E.; Schmidt, Frauke; Miyatake, Tetsuro; Kasten, Sabine; Witt, Matthias; Hinrichs, Kai-Uwe; Friedrich, Michael W.

2015-01-01

The role of microorganisms in the cycling of sedimentary organic carbon is a crucial one. To better understand relationships between molecular composition of a potentially bioavailable fraction of organic matter and microbial populations, bacterial and archaeal communities were characterized using pyrosequencing-based 16S rRNA gene analysis in surface (top 30 cm) and subsurface/deeper sediments (30–530 cm) of the Helgoland mud area, North Sea. Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) was used to characterize a potentially bioavailable organic matter fraction (hot-water extractable organic matter, WE-OM). Algal polymer-associated microbial populations such as members of the Gammaproteobacteria, Bacteroidetes, and Verrucomicrobia were dominant in surface sediments while members of the Chloroflexi (Dehalococcoidales and candidate order GIF9) and Miscellaneous Crenarchaeota Groups (MCG), both of which are linked to degradation of more recalcitrant, aromatic compounds and detrital proteins, were dominant in subsurface sediments. Microbial populations dominant in subsurface sediments (Chloroflexi, members of MCG, and Thermoplasmata) showed strong correlations to total organic carbon (TOC) content. Changes of WE-OM with sediment depth reveal molecular transformations from oxygen-rich [high oxygen to carbon (O/C), low hydrogen to carbon (H/C) ratios] aromatic compounds and highly unsaturated compounds toward compounds with lower O/C and higher H/C ratios. The observed molecular changes were most pronounced in organic compounds containing only CHO atoms. Our data thus, highlights classes of sedimentary organic compounds that may serve as microbial energy sources in methanic marine subsurface environments. PMID:26635758

Synthesis of boronate-functionalized organic-inorganic hybrid monolithic column for the separation of cis-diol containing compounds at low pH.

Science.gov (United States)

Zhao, Heqing; Lyu, Haixia; Qin, Wenfei; Xie, Zenghong

2018-04-01

In this work, an organic-inorganic hybrid boronate affinity monolithic column was prepared via "one-pot" process using 4-vinylphenylboronic acid as organic monomer and divinylbenzene as cross-linker. The effects of reaction temperature, solvents and composition of organic monomers on the column properties (e.g. morphology, permeability, and mechanical stability) were investigated. A series of test compounds including small neutral molecules, aromatic amines, and cis-diol compounds were used to evaluate the retention behaviors of the prepared hybrid monolithic column. The results demonstrated that the prepared hybrid monolith exhibited mixed-interactions including hydrophilicity, cation exchange, and boronate affinity interaction. The run-to-run, day-to-day and batch-to-batch reproducibilities of the prepared hybrid monolith for thiourea's retention time were satisfactory with the relative standard deviations (RSDs) less than 0.09, 1.45 and 4.05% (n = 3), respectively, indicating the effectiveness and practicability of the proposed method. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Flame retardant finishing of cotton fabric based on synergistic compounds containing boron and nitrogen.

Science.gov (United States)

Xie, Kongliang; Gao, Aiqin; Zhang, Yongsheng

2013-10-15

Boric acid and compound containing nitrogen, 2,4,6-tri[(2-hydroxy-3-trimethyl-ammonium)propyl]-1,3,5-triazine chloride (Tri-HTAC) were used to finish cotton fabric. The flame retardant properties of the finished cotton fabrics and the synergetic effects of boron and nitrogen elements were investigated and evaluated by limited oxygen index (LOI) method. The mechanism of cross-linking reaction among cotton fiber, Tri-HTAC, and boric acid was discussed by FTIR and element analysis. The thermal stability and surface morphology of the finished cotton fabrics were investigated by thermogravimetric analysis (TGA) and scanning electron microscope (SEM), respectively. The finishing system of the mixture containing boron and nitrogen showed excellent synergistic flame retardancy for cotton fabric. The cotton fabric finished with mixture system had excellent flame retardancy. The LOI value of the treated cotton fabric increased over 27.5. Tri-HTAC could form covalent bonds with cellulose fiber and boric acid. The flame retardant cotton fabric showed a slight decrease in tensile strength and whiteness. The surface morphology of flame retardant cotton fiber was smooth. Copyright © 2013 Elsevier Ltd. All rights reserved.

Phase stability and oxygen diffusion in RBa2Cu3O6+x (R=Y, Nd)

International Nuclear Information System (INIS)

Mozhaev, A.P.; Mazo, G.N.; Galkin, A.A.; Khromova, N.V.

1996-01-01

Phase stability boundaries of RBa 2 Cu 3 O 6 + x (R=Y, Nd) compounds for oxygen partial pressure wide range were determined by means of Coulomb titration. Phase decomposition is shown to occur without formation of liquid phase. Principial differences in the chemical composition of decomposition product of Y- and Nd-containing phases were detected. Dependences of oxygen non-stoichiometry of the compounds on temperature were determined. Fragments of P o 2 -T-x-diagrams were plotted. Oxygen diffusion coefficients within wide range of temperatures and partial pressures of oxygen were determined. Dependence of diffusion parameters on oxygen non-stoichiometry and P o 2 was determined. Oxygen diffusion was determined to occur more rapidly in orthorhombic phase than in tetragonal one. Diffusion coefficients were shown to increase at transition from Y-to Nd-containing phase. 13 refs., 6 figs., 2 tabs

Biogenic volatile organic compounds in the Earth system.

Science.gov (United States)

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

2009-01-01

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

Emission and chemistry of organic compounds from biomass burning: measurements from an iodide time-of-flight chemical ionization mass spectrometer (I- ToF-CIMS) during the FIREX FireLab 2016 intensive

Science.gov (United States)

Yuan, B.; Krechmer, J. E.; Warneke, C.; Coggon, M.; Koss, A.; Lim, C. Y.; Selimovic, V.; Gilman, J.; Lerner, B. M.; Stark, H.; Kang, H.; Jimenez, J. L.; Yokelson, R. J.; Liggio, J.; Roberts, J. M.; Kroll, J. H.; De Gouw, J. A.

2017-12-01

Biomass burning can emit large amounts of many different organic compounds to the atmosphere. The emission strengths of these emitted organic compounds and their subsequent atmospheric chemistry are not well known. In this study, we deployed a time-of-flight chemical ionization mass spectrometer using iodide as reagent ions (Iodide ToF-CIMS) to measure direct emissions of organic compounds during the FIREX laboratory 2016 intensive in the USDA Fire Sciences Lab in Missoula, MT. An interpretation of the I­- TOF-CIMS mass spectra from biomass burning emissions will be presented. The dependence of the emissions of selected organic compounds with fuel types, combustion efficiency and fuel chemical compositions will be discussed. The I- TOF-CIMS also measured aged biomass burning smoke from a small smog chamber and an oxidative flow reactor (OFR). The I- TOF-CIMS consistently observed much higher signals of highly oxygenated organic compounds in the aged biomass burning smoke than in fresh emissions, indicative of strong secondary formation of these organic compounds in biomass burning plumes.

Compositions of volatile organic compounds emitted from melted virgin and waste plastic pellets.

Science.gov (United States)

Yamashita, Kyoko; Yamamoto, Naomichi; Mizukoshi, Atsushi; Noguchi, Miyuki; Ni, Yueyong; Yanagisawa, Yukio

2009-03-01

To characterize potential air pollution issues related to recycling facilities of waste plastics, volatile organic compounds (VOCs) emitted from melted virgin and waste plastics pellets were analyzed. In this study, laboratory experiments were performed to melt virgin and waste plastic pellets under various temperatures (150, 200, and 250 degrees C) and atmospheres (air and nitrogen [N2]). In the study presented here, low-density polyethylene (LDPE), polypropylene (PP), polystyrene (PS) and the recycled waste plastic pellets were used. The VOCs generated from each plastic pellets were collected by Tenax/Carboxen adsorbent tubes and analyzed by thermal desorption-gas chromatography/mass spectrometry (TD-GC/MS). The result showed the higher temperatures generated larger amounts of total VOCs (TVOCs). The VOCs emitted from the virgin plastic pellets likely originated from polymer degradation. Smaller TVOC emissions were observed in N2 atmosphere than in air atmosphere. In particular, larger amounts of the oxygenated compounds, which are generally hazardous and malodorous, were detected in air than in N2. In addition to the compounds originating from polymer degradation, the compounds originating from the plastic additives were also detected from LDPE and PS. Furthermore, various species of VOCs likely originating from contaminant inseparate polyvinyl chloride (PVC), food residues, cleaning agents, degreasers, and so on were detected from the waste plastic. Thus, melting waste plastics, as is conducted in recycling facilities, might generate larger amounts of potentially toxic compounds than producing virgin plastics.

Photochemical Properties and Reactivity of a Ru Compound Containing an NAD/NADH-Functionalized 1,10-Phenanthroline Ligand.

Science.gov (United States)

Kobayashi, Katsuaki; Ohtsu, Hideki; Nozaki, Koichi; Kitagawa, Susumu; Tanaka, Koji

2016-03-07

An NAD/NADH-functionalized ligand, benzo[b]pyrido[3,2-f][1,7]-phenanthroline (bpp), was newly synthesized. A Ru compound containing the bpp ligand, [Ru(bpp)(bpy)2](2+), underwent 2e(-) and 2H(+) reduction, generating the NADH form of the compound, [Ru(bppHH)(bpy)2](2+), in response to visible light irradiation in CH3CN/TEA/H2O (8/1/1). The UV-vis and fluorescent spectra of both [Ru(bpp)(bpy)2](2+) and [Ru(bppHH)(bpy)2](2+) resembled the spectra of [Ru(bpy)3](2+). Both complexes exhibited strong emission, with quantum yields of 0.086 and 0.031, respectively; values that are much higher than those obtained from the NAD/NADH-functionalized complexes [Ru(pbn)(bpy)2](2+) and [Ru(pbnHH)(bpy)2](2+) (pbn = (2-(2-pyridyl)benzo[b]-1.5-naphthyridine, pbnHH = hydrogenated form of pbn). The reduction potential of the bpp ligand in [Ru(bpp)(bpy)2](2+) (-1.28 V vs SCE) is much more negative than that of the pbn ligand in [Ru(pbn)(bpy)2](2+) (-0.74 V), although the oxidation potentials of bppHH and pbnHH are essentially equal (0.95 V). These results indicate that the electrochemical oxidation of the dihydropyridine moiety in the NADH-type ligand was independent of the π system, including the Ru polypyridyl framework. [Ru(bppHH)(bpy)2](2+) allowed the photoreduction of oxygen, generating H2O2 in 92% yield based on [Ru(bppHH)(bpy)2](2+). H2O2 production took place via singlet oxygen generated by the energy transfer from excited [Ru(bppHH)(bpy)2](2+) to triplet oxygen.

Hazardous organic compounds in biogas plant end products-Soil burden and risk to food safety

International Nuclear Information System (INIS)

Suominen, K.; Verta, M.; Marttinen, S.

2014-01-01

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: �

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: �

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.

Synthesis, characterization, and properties of peroxo-based oxygen-rich compounds for potential use as greener high energy density materials

Science.gov (United States)

Gamage, Nipuni-Dhanesha Horadugoda

One main aspect of high energy density material (HEDM) design is to obtain greener alternatives for HEDMs that produce toxic byproducts. Primary explosives lead azide, lead styphnate, and mercury fulminate contain heavy metals that cause heavy metal poisoning. Leaching of the widely used tertiary explosive NH4ClO4 into groundwater has resulted in human exposure to ClO4-- ions, which cause disruptions of thyroid related metabolic pathways and even thyroid cancer. Many research efforts to find replacements have gained little success. Thus, there is a need for greener HEDMs. Peroxo-based oxygen-rich compounds are proposed as a potential new class of greener HEDMs due to the evolution of CO2 and/or CO, H2O, and O 2 as the main decomposition products. Currently, triacetone triperoxide (TATP), diacetone diperoxide (DADP), hexamethylene triperoxide diamine (HMTD), and methyl ethyl ketone peroxide (MEKP) are the only well-studied highly energetic peroxides. However, due to their high impact and friction sensitivities, low thermal stabilities, and low detonation velocities they have not found any civil or military HEDM applications. In this dissertation research, we have synthesized and fully characterized four categories of peroxo-based compounds: tert-butyl peroxides, tert-butyl peroxy esters, hydroperoxides, and peroxy acids to perform a systematic study of their sensitivities and the energetic properties for potential use as greener HEDMs. tert-Butyl peroxides were not sensitive to impact, friction, or electrostatic spark. Hence, tert-butyl peroxides can be described as fairly safe peroxo-based compounds to handle. tert-Butyl peroxy esters were all surprisingly energetic (4896--6003 m/s), despite the low oxygen and nitrogen contents. Aromatic tert -butyl peroxy esters were much lower in impact and friction sensitivities with respect to the known peroxo-based explosives. These are among the first low sensitivity peroxo-based compounds that can be categorized as secondary

Removal of chlorinated organic compounds from gas phase using electron beam technology

Energy Technology Data Exchange (ETDEWEB)

Sun, Y.; Bulka, S.; Zimek, A. [Institute of Nuclear Chemistry and Technology, Warsaw (Poland); Chmielewski, A. G. [Institute of Nuclear Chemistry and Technology, Warsaw (Poland); Faculty of Chemical and Process Engineering, Warsaw University of Technology, Warsaw (Poland)

2011-07-01

Selected chlorinated organic compounds (Cl-HC), which are emitted from coal fired power plants, waste incinerators, chemical industry etc., are very harmful to the environment and human’s health. Some of them are listed as carcinogenic compounds by USA EPA. Recent studies show that some chlorinated organic compounds are suspected to be precursors for dioxins formation. Chlorinated organic compounds decomposition in air in an electron beam (EB) generated plasma reactor technology was studied. We selected cis-dichloroethylene (cis-DCE), 1,4-dichlorobenznene(1,4-DCB), 1-chloronaphthalene as studied objects. It is found that chlorinated organic compounds can be decomposed in an electron beam generated plasma reactor. The order of decomposition efficiency of these compounds are: cis-DCE > 1,4-DCB> 1-chloronaphthalene. (author)

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...... monolayers. The results of this work indicate that adhered organic compounds from the surrounding environment can affect the surface behaviour, depending on properties of the organic compound....

Electrochemical organic destruction in support of Hanford tank waste pretreatment

International Nuclear Information System (INIS)

Lawrence, W.E.; Surma, J.E.; Gervais, K.L.; Buehler, M.F.; Pillay, G.; Schmidt, A.J.

1994-10-01

The US Department of Energy's Hanford Site in Richland, Washington, has 177 underground storage tanks that contain approximately 61 million gallons of radioactive waste. The current cleanup strategy is to retrieve the waste and separate components into high-level and low-level waste. However, many of the tanks contain organic compounds that create concerns associated with tank safety and efficiency of anticipated separation processes. Therefore, a need exists for technologies that can safely and efficiently destroy organic compounds. Laboratory-scale studies conducted during FY 93 have shown proof-of-principle for electrochemical destruction of organics. Electrochemical oxidation is an inherently safe technology and shows promise for treating Hanford complexant concentrate aqueous/ slurry waste. Therefore, in support of Hanford tank waste pretreatment needs, the development of electrochemical organic destruction (ECOD) technology has been undertaken. The primary objective of this work is to develop an electrochemical treatment process for destroying organic compounds, including tank waste complexants. Electroanalytical analyses and bench-scale flow cell testing will be conducted to evaluate the effect of anode material and process operating conditions on the rate of organic destruction. Cyclic voltammetry will be used to identify oxygen overpotentials for the anode materials and provide insight into reaction steps for the electrochemical oxidation of complexants. In addition, a bench-scale flow cell evaluation will be conducted to evaluate the influence of process operating conditions and anode materials on the rate and efficiency of organic destruction using the nonradioactive a Hanford tank waste simulant

FIREX (Fire Influence on Regional and Global Environments Experiment): Measurements of Nitrogen Containing Volatile Organic Compounds

Science.gov (United States)

Warneke, C.; Schwarz, J. P.; Yokelson, R. J.; Roberts, J. M.; Koss, A.; Coggon, M.; Yuan, B.; Sekimoto, K.

2017-12-01

A combination of a warmer, drier climate with fire-control practices over the last century have produced a situation in which we can expect more frequent fires and fires of larger magnitude in the Western U.S. and Canada. There are urgent needs to better understand the impacts of wildfire and biomass burning (BB) on the atmosphere and climate system, and for policy-relevant science to aid in the process of managing fires. The FIREX (Fire Influence on Regional and Global Environment Experiment) research effort is a multi-year, multi-agency measurement campaign focused on the impact of BB on climate and air quality from western North American wild fires, where research takes place on scales ranging from the flame-front to the global atmosphere. FIREX includes methods development and small- and large-scale laboratory and field experiments. FIREX will include: emission factor measurements from typical North American fuels in the fire science laboratory in Missoula, Montana; mobile laboratory deployments; ground site measurements at sites influenced by BB from several western states. The main FIREX effort will be a large field study with multiple aircraft and mobile labs in the fire season of 2019. One of the main advances of FIREX is the availability of various new measurement techniques that allows for smoke evaluation in unprecedented detail. The first major effort of FIREX was the fire science laboratory measurements in October 2016, where a large number of previously understudied Nitrogen containing volatile organic compounds (NVOCs) were measured using H3O+CIMS and I-CIMS instruments. The contribution of NVOCs to the total reactive Nitrogen budget and the relationship to the Nitrogen content of the fuel are investigated.

Concentrations and flux measurements of volatile organic compounds (VOC) in boreal forest soil

Science.gov (United States)

Mäki, Mari; Aaltonen, Hermanni; Heinonsalo, Jussi; Hellén, Heidi; Pumpanen, Jukka; Bäck, Jaana

2017-04-01

Volatile organic compounds (VOC) impact soil processes as VOCs transmit signals between roots and rhizosphere (Ditengou et al., 2015), VOCs can regulate microbial activity (Asensio et al., 2012), and VOCs can also promote root growth (Hung et al., 2012). Belowground concentrations of VOCs have not been measured in situ and for this reason, knowledge of how different soil organisms such as roots, rhizosphere and decomposers contribute to VOC production is limited. The aim of this study was to determine and quantify VOC fluxes and concentrations of different horizons from boreal forest soil. The VOC concentrations and fluxes were measured from Scots pine (Pinus sylvestris) forest soil at the SMEAR II station in southern Finland from 21th of April to 2nd of December in 2016. VOC fluxes were measured using dynamic (flow-through) chambers from five soil collars placed on five different locations. VOC concentrations were also measured in each location from four different soil horizons with the measurement depth 1-107 cm. VOCs were collected from underground gas collectors into the Tenax-Carbopack-B adsorbent tubes using portable pumps ( 100 ml min-1). The VOC concentrations and fluxes of isoprene, 11 monoterpenes, 13 sesquiterpenes and different oxygenated VOCs were measured. Sample tubes were analyzed using thermal desorption-gas chromatograph-mass spectrometry (TD-GC-MS). Soil temperature and soil water content were continuously monitored for each soil horizon. Our preliminary results show that the primary source of VOCs is organic soil layer and the contribution of mineral soil to the VOC formation is minor. VOC fluxes and concentrations were dominated by monoterpenes such as α-pinene, camphene, β-pinene, and Δ3-carene. Monoterpene concentration is almost 10-fold in organic soil compared to the deeper soil layers. However, the highest VOC fluxes on the soil surface were measured in October, whereas the monoterpene concentrations in organic soil were highest in July

Biodegradation of NSO-compounds under different redox-conditions

DEFF Research Database (Denmark)

Dyreborg, S.; Arvin, E.; Broholm, K.

1997-01-01

Laboratory experiments were carried out to investigate the potential of groundwater microorganisms to degrade selected heterocyclic aromatic compounds containing nitrogen, sulphur, or oxygen (NSO-compounds) under four redox-conditions over a period of 846 days. Eight compounds (pyrrole, 1...... anaerobic conditions, even though the microorganisms present in the anaerobic microcosms were active throughout the incubation period. A high variability in the lag period among the NSO-compounds was observed under aerobic conditions. While quinoline, indole, and carbazole were degraded with a lag period...

Integrated modelling of two xenobiotic organic compounds

DEFF Research Database (Denmark)

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

2006-01-01

This paper presents a dynamic mathematical model that describes the fate and transport of two selected xenobiotic organic compounds (XOCs) in a simplified representation. of an integrated urban wastewater system. A simulation study, where the xenobiotics bisphenol A and pyrene are used as reference...... 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....

Explicit modeling of volatile organic compounds partitioning in the atmospheric aqueous phase

Directory of Open Access Journals (Sweden)

C. Mouchel-Vallon

2013-01-01

Full Text Available The gas phase oxidation of organic species is a multigenerational process involving a large number of secondary compounds. Most secondary organic species are water-soluble multifunctional oxygenated molecules. The fully explicit chemical mechanism GECKO-A (Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere is used to describe the oxidation of organics in the gas phase and their mass transfer to the aqueous phase. The oxidation of three hydrocarbons of atmospheric interest (isoprene, octane and α-pinene is investigated for various NO_x conditions. The simulated oxidative trajectories are examined in a new two dimensional space defined by the mean oxidation state and the solubility. The amount of dissolved organic matter was found to be very low (yield less than 2% on carbon atom basis under a water content typical of deliquescent aerosols. For cloud water content, 50% (isoprene oxidation to 70% (octane oxidation of the carbon atoms are found in the aqueous phase after the removal of the parent hydrocarbons for low NO_x conditions. For high NO_x conditions, this ratio is only 5% in the isoprene oxidation case, but remains large for α-pinene and octane oxidation cases (40% and 60%, respectively. Although the model does not yet include chemical reactions in the aqueous phase, much of this dissolved organic matter should be processed in cloud drops and modify both oxidation rates and the speciation of organic species.

Chemical Characteristics of Organic Aerosols in Shanghai: A Study by Ultrahigh-Performance Liquid Chromatography Coupled With Orbitrap Mass Spectrometry

Science.gov (United States)

Wang, Xinke; Hayeck, Nathalie; Brüggemann, Martin; Yao, Lei; Chen, Hangfei; Zhang, Ci; Emmelin, Corinne; Chen, Jianmin; George, Christian; Wang, Lin

2017-11-01

Particulate matter 2.5 (PM2.5) filter samples were collected in July and October 2014 and January and April 2015 in urban Shanghai and analyzed using ultrahigh-performance liquid chromatography coupled to Orbitrap mass spectrometry. The measured chromatogram-mass spectra were processed by a nontarget screening approach to identify significant signals. In total, 810-1,510 chemical formulas of organic compounds in the negative polarity (negative electrospray ionization (ESI-)) and 860-1,790 in the positive polarity (ESI+), respectively, were determined. The chemical characteristics of organic aerosols (OAs) in Shanghai varied among different months and between daytime and nighttime. In the January samples, organics were generally richer in terms of both number and abundance, whereas those in the July samples were far lower. More CHO- (compounds containing only carbon, hydrogen, and oxygen and detected in ESI-) and CHOS- (sulfur-containing organics) were found in the daytime samples, suggesting a photochemical source, whereas CHONS- (nitrogen- and sulfur-containing organics) were more abundant in the nighttime samples, due to nocturnal nitrate radical chemistry. A significant number of monocyclic and polycyclic aromatic compounds, and nitrogen- and sulfur-containing heterocyclic compounds, were detected in all samples, indicating that biomass burning and fossil fuel combustion made important contributions to the OAs in urban Shanghai. Additionally, precursor-product pair analysis indicates that the epoxide pathway is an important formation route for organosulfates observed in Shanghai. Moreover, a similar analysis suggests that 35-57% of nitrogen-containing compounds detected in ESI+ could be formed through reactions between ammonia and carbonyls. Our study presents a comprehensive overview of OAs in urban Shanghai, which helps to understand their characteristics and sources.

Formation of nitrogen-containing compounds during microwave pyrolysis of microalgae: Product distribution and reaction pathways.

Science.gov (United States)

Huang, Feng; Tahmasebi, Arash; Maliutina, Kristina; Yu, Jianglong

2017-12-01

The formation of nitrogen-containing compounds in bio-oil during microwave pyrolysis of Chlorella and Spirulina microalgae has been investigated in this study. Activated carbon (AC) and magnetite (Fe 3 O 4 ) were used as microwave receptors during microwave pyrolysis experiments. It has been found that the use of Fe 3 O 4 increased the total yield of bio-oil. The use of different microwave receptors did not seem to have affected the total yield of nitrogen-containing compounds in the bio-oil. However, Fe 3 O 4 promoted the formation of nitrogen-containing aliphatics, thereby reducing the formation of nitrogen-containing aromatics. The use of AC promoted the dehydration reactions during amino acid decomposition, thereby enhancing the formation of nitrogen-containing aromatics during pyrolysis. From the gas chromatography-mass spectrometry (GC-MS) analysis results, the major high-value nitrogen-containing compounds in the pyrolysis bio-oil of Chlorella and Spirulina were identified as indole and dodecamide. The formation mechanisms of nitrogen-containing compounds were proposed and discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Destruction and formation of organic micropollutants in incineration process

International Nuclear Information System (INIS)

Mascolo, G.; Bagnuolo, G.; Lotito, V.; Spinosa, L.; Mininni, G.

2001-01-01

In this paper are presented the results obtained from a lab-scale investigation carried out with a system for Thermal Diagnostic Studies (STDS) aimed to study the effect of some process variables during incineration. The study has been focused on (I) gas phase dioxins formation during precursors thermal degradation, (II) thermal degradation of toxic organic compounds, (III) products of incomplete combustion (PICs) formation during thermal degradation of urban sludge spiked with toxic organics, (IV) PICs formation during process failure modes, (V) polynuclear aromatic hydrocarbons (PAHs) formation during urban sludge thermal degradation and (VI) influence of conditioning polymer on PICs emission during sludge incineration. The study about gas phase dioxins formation during precursors thermal degradation has been carried out with 2, 4, 6-trichloro- and 2, 4, 6 -tribromo-phenol that were thermal degraded at temperatures between 300 and 800 0 C in an air atmosphere. Both phenols showed the formation of the same tetra-halo-dioxin isomers that were further degraded at higher temperature. Furthermore, chlorine-containing dioxins showed higher thermal stability than bromine-containing dioxins. The study about thermal degradation of toxic organic compounds has been carried out with chlorobenzene, tetrachloroethylene and toluene that were thermal degraded at temperatures between 300 and 1000 0 C in an inert as well as air atmosphere. Results show that in all experimental conditions tetrachloroethylene and toluene are the most and less thermal stable compounds respectively. Also, all compounds are more thermal resistant during pyrolytic experiments and less thermal resistant when they are treated as a whole mixture. The study about PICs formation during thermal degradation of urban sludge spiked with toxic organics has been carried out by thermally degrading urban sludge alone or spiked with the above reported three organics at different conditions of temperature and oxygen

Detection of volatile organic compounds using an optical fiber sensor coated with a sol-gel silica layer containing immobilized Nile red

Science.gov (United States)

Liu, Dejun; Lian, Xiaokang; Mallik, Arun Kumar; Han, Wei; Wei, Fangfang; Yuan, Jinhui; Yu, Chongxiu; Farrell, Gerald; Semenova, Yuliya; Wu, Qiang

2017-04-01

A simple volatile organic compound (VOC) sensor based on a tapered small core singlemode fiber (SCSMF) structure is reported. The tapered SCSMF fiber structure with a waist diameter of 7.0 μm is fabricated using a customized microheater brushing technique. Silica based material containing immobilized Nile red was prepared by a sol-gel method and was used as a coating applied to the surface of the tapered fiber structure. Different coating thicknesses created by a 2-pass and 4-pass coating process are investigated. The experiments demonstrate that both sensors show a linear response at different gas concentrations to all three tested VOCs (methanol, ethanol and acetone). The sensor with a thicker coating shows better sensitivities but longer response and recovery times. The best measurement resolutions for the 4-pass coating sensor are estimated to be 2.3 ppm, 1.5 ppm and 3.1 ppm for methanol, ethanol and acetone, respectively. The fastest response and recovery time of 1 min and 5 min are demonstrated by the sensor in the case of methanol.

Characterization of selected volatile organic compounds, polycyclic aromatic hydrocarbons and carbonyl compounds at a roadside monitoring station

Science.gov (United States)

Ho, K. F.; Lee, S. C.; Chiu, Gloria M. Y.

Volatile organic compounds (VOCs), PAHs and carbonyl compounds are the major toxic components in Hong Kong. Emissions from motor vehicles have been one of the primary pollution sources in the metropolitan areas throughout Hong Kong for a long time. A 1-yr monitoring program for VOCs, PAHs and carbonyl compounds had been performed at a roadside urban station at Hong Kong Polytechnic University in order to determine the variations and correlations of each selected species (VOCs, PAHs and carbonyl compounds). This study is aimed to analyze toxic volatile organic compounds (benzene, toluene, ethylbenzene and xylene), two carbonyl compounds (formaldehyde, acetaldehyde), and selective polycyclic aromatic hydrocarbons. The monitoring program started from 16 April 1999 to 30 March 2000. Ambient VOC concentrations, many of which originate from the same sources as particulate PAHs and carbonyls compounds, show significant quantities of benzene, toluene and xylenes. Correlations and multivariate analysis of selected gaseous and particulate phase organic pollutants were performed. Source identification by principle component analysis and hierarchical cluster analysis allowed the identification of four sources (factors) for the roadside monitoring station. Factor 1 represents the effect of diesel vehicle exhaust. Factor 2 shows the contribution of aromatic compounds. Factor 3 explains photochemical products—formaldehyde and acetaldehyde. Factor 4 explains the effect of gasoline vehicle exhaust.

Preliminary study on the occurrence of brominated organic compounds in Dutch marine organisms

NARCIS (Netherlands)

Kotterman, M.J.J.; Veen, van der I.; Hesselingen, van J.M.; Leonards, P.E.G.; Osinga, R.; Boer, de J.

2003-01-01

The extracts of three marine organisms; the ascidian Ciona intestinalis, the brown seaweed Sargassum muticum and the sponge Halichondria panicea, all elicited a number of brominated compounds, some of which were tentatively identified. Tribromophenol was observed in all species. This compound, also

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.

Synthesis, biological evaluation and SAR analysis of novel poly-heterocyclic compounds containing pyridylpyrazole group.

Science.gov (United States)

Wang, Bao-Lei; Zhu, Hong-Wei; Li, Zheng-Ming; Wang, Li-Zhong; Zhang, Xiao; Xiong, Li-Xia; Song, Hai-Bin

2018-03-01

In recent years, pyridylpyrazole derivatives, such as pyridylpyrazole-containing anthranilic diamide have attracted much attention by virtue of their useful insecticidal properties and unique action mode. Moreover, some pyridylpyrazole-containing compounds have also been found to possess significant fungicidal activities. With the aim of discovering new bioactive agrochemicals for crop protection, a series of poly-heterocyclic compounds containing pyridylpyrazole and aziridine, or β-lactam, or thiazolinone moieties were synthesized. A series of pyridylpyrazole-containing poly-heterocyclic compounds were obtained, and confirmed through IR, 1 H NMR, 13 C NMR, HRMS and elemental analysis. The crystalline structure of 4-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-3-chloro-1-mesitylazetidin-2-one (compound 13f) was determined to further illustrate a trans- configuration of the β-lactam motif. In addition, bioassays showed that most of these new compounds exhibited modest insecticidal activity towards Mythimna separate Walker at 200 µg mL -1 . Some of the compounds displayed excellent fungicidal activity towards some plant fungi, including Cercospora arachidicola (13j: EC 50 = 14.5 µg mL -1 ), Physalospora piricola (12d and 13d: EC 50 = 10.5 and 9.70 µg mL -1 ), Alternaria solani Sorauer (13j: EC 50 = 7.29 µg mL -1 ), Puccinia sorghi Schw. (13d: control efficacy 99.0 ± 2.1% at 200 µg mL -1 ) and Erysiphe graminis (14d: control efficacy 95.0 ± 1.4% at 200 µg mL -1 ). Compounds 12b-12e, 13a, 13d, 13f, 13j, 13 k and 14d could be considered potential fungicidal lead compounds to do further structural optimization. The structure-activity relationship analysis in this study brings some new understanding to the biological activities of N-pyridylpyrazole-containing compounds, and provides important information for the research and development of novel agricultural fungicides with poly-heterocyclic structures. © 2017 Society of Chemical Industry. © 2017 Society

Evaluation of containment hydrogen and oxygen analyzers

International Nuclear Information System (INIS)

Booth, H.R.; Stanley, L.

1993-02-01

This report contains information concerning operation and calibration of detectors utilized at US nuclear power plants for determining concentration of hydrogen and oxygen within the containment structure.A study was prompted by reports that several plants had experienced problems in operating, calibrating, and maintaining the detectors supplied by various vendors. A survey of all nuclear power plants was conducted to identify the specific problems. Discussions were held with key vendors concerning these problems. The major area of interest was centered around problems associated with calibration of the detectors. Many variations from plant-to-plant concerning calibration accuracies, calibration time periods, and frequencies were identified. Another area of prime consideration involved variations as to maintenance of the equipment. Some plants devoted considerable effort to in-house maintenance of equipment while others relied heavily on the vendor for such maintenance. A workshop was conducted with key utility and vendor personnel in attendance to discuss findings of the survey. It was resolved that a much improved coordinated effort between the vendors and utilities would be initiated as a means to resolve existing problems

Singlet oxygen: photosensitized generation, detection and reaction with organic molecules

Energy Technology Data Exchange (ETDEWEB)

Barik, Atanu; Indira Priyadarsini, K; Mohan, Hari; Bajaj, P N; Sapre, A V; Mittal, J P; Mukherjee, T [Radiation and Photochemistry Div., Bhabha Atomic Research Centre, Mumbai (India)

2006-10-15

Singlet molecular oxygen ({sup 1}O{sub 2}) is an excited state of molecular oxygen, having antiparallel spin in the same {pi} antibonding orbital. The study of singlet oxygen production and reactivity has emerged as a rich and diverse area, with implication in diverse fields, such as synthetic chemistry, polymer chemistry, photodynamic therapy, etc. There are several known methods to produce singlet oxygen, and also various techniques employed to detect it. Out of these, photosensitization method is the most popular one. In this article, photosensitized production of singlet oxygen from triplet oxygen and photosensitizers in presence of light, and its detection by the infrared luminescence at 1270 nm have been presented. Further, some results using different types of photosensitizers, effect of solvent on singlet oxygen quantum yields and lifetime have been discussed. The quenching rate constants of singlet oxygen have been determined with different types of organic molecules such as derivatives of thiourea and its analogues, hydroxy indoles and antioxidants and the results have been presented. (author)

Singlet oxygen: photosensitized generation, detection and reaction with organic molecules

International Nuclear Information System (INIS)

Barik, Atanu; Indira Priyadarsini, K.; Hari Mohan; Bajaj, P.N.; Sapre, A.V.; Mittal, J.P.; Mukherjee, T.

2006-10-01

Singlet molecular oxygen ( 1 O 2 ) is an excited state of molecular oxygen, having antiparallel spin in the same π antibonding orbital. The study of singlet oxygen production and reactivity has emerged as a rich and diverse area, with implication in diverse fields, such as synthetic chemistry, polymer chemistry, photodynamic therapy, etc. There are several known methods to produce singlet oxygen, and also various techniques employed to detect it. Out of these, photosensitization method is the most popular one. In this article, photosensitized production of singlet oxygen from triplet oxygen and photosensitizers in presence of light, and its detection by the infrared luminescence at 1270 nm have been presented. Further, some results using different types of photosensitizers, effect of solvent on singlet oxygen quantum yields and lifetime have been discussed. The quenching rate constants of singlet oxygen have been determined with different types of organic molecules such as derivatives of thiourea and its analogues, hydroxy indoles and antioxidants and the results have been presented. (author)

Response surface modeling for optimization heterocatalytic Fenton oxidation of persistence organic pollution in high total dissolved solid containing wastewater.

Science.gov (United States)

Sekaran, G; Karthikeyan, S; Boopathy, R; Maharaja, P; Gupta, V K; Anandan, C

2014-01-01

The rice-husk-based mesoporous activated carbon (MAC) used in this study was precarbonized and activated using phosphoric acid. N2 adsorption/desorption isotherm, X-ray powder diffraction, electron spin resonance, X-ray photoelectron spectroscopy and scanning electron microscopy, transmission electron microscopy, (29)Si-NMR spectroscopy, and diffuse reflectance spectroscopy were used to characterize the MAC. The tannery wastewater carrying high total dissolved solids (TDS) discharged from leather industry lacks biodegradability despite the presence of dissolved protein. This paper demonstrates the application of free electron-rich MAC as heterogeneous catalyst along with Fenton reagent for the oxidation of persistence organic compounds in high TDS wastewater. The heterogeneous Fenton oxidation of the pretreated wastewater at optimum pH (3.5), H2O2 (4 mmol/L), FeSO4[Symbol: see text]7H2O (0.2 mmol/L), and time (4 h) removed chemical oxygen demand, biochemical oxygen demand, total organic carbon and dissolved protein by 86, 91, 83, and 90%, respectively.

Differential transport of platinum compounds by the human organic cation transporter hOCT2 (hSLC22A2)

NARCIS (Netherlands)

H. Burger (Herman); A. Zoumaro-Djayoon (Adja); A.W.M. Boersma (Anton); J. Helleman (Jozien); P.M.J.J. Berns (Els); A.H.J. Mathijssen (Ron); W.J. Loos (Walter); E.A.C. Wiemer (Erik)

2010-01-01

textabstractAbstract BACKGROUND: Solute carriers (SLCs), in particular organic cation transporters (OCTs), have been implicated in the cellular uptake of platinum-containing anticancer compounds. The activity of these carriers may determine the pharmacokinetics and the severity of side effects,

From biomass to fuels: Hydrotreating of oxygenated compounds

Energy Technology Data Exchange (ETDEWEB)

Gandarias, I.; Barrio, V.L.; Requies, J.; Arias, P.L.; Cambra, J.F.; Gueemez, M.B. [School of Engineering (UPV/EHU), c/ Alameda Urquijo s/n, 48013 Bilbao (Spain)

2008-07-15

Biomass is a renewable alternative to fossil raw materials in the production of liquid fuels and chemicals. Pyrolyzed biomass derived liquids contain oxygenated molecules that need to be removed to improve the stability of these liquids. A hydrotreating process, hydrodeoxygenation (HDO), is commonly used for this purpose. Thus, the aim of this work is to examine the role of advanced NiMo and NiW catalysts developed for HDS purposes in a HDO reaction. In addition, product distribution and catalyst stability are studied against changes in the feed composition, the solvent, and the catalyst pretreatment. (author)

Radiocarbon content of synthetic and natural semi-volatile halogenated organic compounds

International Nuclear Information System (INIS)

Reddy, C.M.; Xu Li; Eglinton, T.I.; Boon, J.P.; Faulkner, D.J.

2002-01-01

New developments in molecular-level 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 14 C analysis may be beneficial since most synthetic compounds are manufactured from petrochemicals ( 14 C-free) and natural compounds should have 'modern' or 'contemporary' 14 C levels. As a baseline study, we measured, for the first time, the 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 14 C-free except for the pesticide toxaphene, which had a modern 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 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

Abiotic synthesis of organic compounds from carbon disulfide under hydrothermal conditions.

Science.gov (United States)

Rushdi, Ahmed I; Simoneit, Bernd R T

2005-12-01

Abiotic formation of organic compounds under hydrothermal conditions is of interest to bio, geo-, and cosmochemists. Oceanic sulfur-rich hydrothermal systems have been proposed as settings for the abiotic synthesis of organic compounds. Carbon disulfide is a common component of magmatic and hot spring gases, and is present in marine and terrestrial hydrothermal systems. Thus, its reactivity should be considered as another carbon source in addition to carbon dioxide in reductive aqueous thermosynthesis. We have examined the formation of organic compounds in aqueous solutions of carbon disulfide and oxalic acid at 175 degrees C for 5 and 72 h. The synthesis products from carbon disulfide in acidic aqueous solutions yielded a series of organic sulfur compounds. The major compounds after 5 h of reaction included dimethyl polysulfides (54.5%), methyl perthioacetate (27.6%), dimethyl trithiocarbonate (6.8%), trithianes (2.7%), hexathiepane (1.4%), trithiolanes (0.8%), and trithiacycloheptanes (0.3%). The main compounds after 72 h of reaction consisted of trithiacycloheptanes (39.4%), pentathiepane (11.6%), tetrathiocyclooctanes (11.5%), trithiolanes (10.6%), tetrathianes (4.4%), trithianes (1.2%), dimethyl trisulfide (1.1%), and numerous minor compounds. It is concluded that the abiotic formation of aliphatic straight-chain and cyclic polysulfides is possible under hydrothermal conditions and warrants further studies.

Organolanthanoid compounds

International Nuclear Information System (INIS)

Schumann, H.

1984-01-01

Up to little more than a decade ago organolanthanoid compounds were still a curiosity. Apart from the description of an isolated number of cyclopentadienyl and indenyl derivatives, very few significant contributions had been made to this interesting sector of organometallic chemistry. However, subsequent systematic studies using modern preparative and analytical techniques, together with X-ray single crystal structure determinations, enabled the isolation and characterization of a large number of very interesting homoleptic and heteroleptic compounds in which the lanthanoid is bound to hydrogen, to substituted or unsubstituted cyclopentadienyl groups, to allyl or alkynyl groups, or even to phosphorus ylides, trimethylsilyl, and carbonylmetal groups. These compounds, which are all extremely sensitive to oxygen and water, open up new possibilities in the field of catalysis and have great potential in organic synthesis - as recent studies with pentamethylcyclopentadienyl derivatives, organolanthanoid(II) compounds, and hexamethyllanthanoid complexes have already shown. (orig.) [de

User's guide for polyethylene-based passive diffusion bag samplers to obtain volatile organic compound concentrations in wells. Part I, Deployment, recovery, data interpretation, and quality control and assurance

Science.gov (United States)

Vroblesky, Don A.

2001-01-01

Diffusion samplers installed in observation wells were found to be capable of yielding representative water samples for chlorinated volatile organic compounds. The samplers consisted of polyethylene bags containing deionized water and relied on diffusion of chlorinated volatile organic compounds through the polyethylene membrane. The known ability of polyethylene to transmit other volatile compounds, such as benzene and toluene, indicates that the samplers can be used for a variety of volatile organic compounds. In wells at the study area, the volatile organic compound concentrations in water samples obtained using the samplers without prior purging were similar to concentrations in water samples obtained from the respective wells using traditional purging and sampling approaches. The low cost associated with this approach makes it a viable option for monitoring large observation-well networks for volatile organic compounds.

Pulsed electron-beam-sustained discharge in oxygen-containing gas mixtures: electrical characteristics, spectroscopy,and singlet oxygen yield

International Nuclear Information System (INIS)

Vagin, Nikolai P; Ionin, Andrei A; Klimachev, Yu M; Kotkov, A A; Podmar'kov, Yu P; Seleznev, L V; Sinitsyn, D V; Frolov, M P; Yuryshev, Nikolai N; Kochetov, Igor' V; Napartovich, A P; Hager, G D

2004-01-01

The electrical and spectroscopic characteristics of electron-beam-sustained discharge (EBSD) in oxygen and oxygen-containing gas mixtures are studied experimentally under gas pressures up to 100 Torr in a large excitation volume (∼18 L). It is shown that the EBSD in pure oxygen and its mixtures with inert gases is unstable and is characterised by a small specific energy contribution. The addition of small amounts (∼1%-10%) of carbon monoxide or hydrogen to oxygen or its mixtures with inert gases considerably improves the stability of the discharge, while the specific energy contribution W increases by more then an order of magnitude, achieving ∼6.5 kJ L -1 atm -1 per molecular component of the gas mixture. A part of the energy supplied to the EBSD is spent to excite vibrational levels of molecular additives. This was demonstrated experimentally by the initiation of a CO laser based on the O 2 : Ar : CO = 1 : 1 : 0.1 mixture. Experimental results on spectroscopy of the excited electronic states O 2 (a 1 Δ g ) and O 2 (b 1 Σ g + ), of oxygen formed in the EBSD are presented. A technique was worked out for measuring the concentration of singlet oxygen in the O 2 (a 1 Δ g ) state in the afterglow of the pulsed EBSD by comparing with the radiation intensity of singlet oxygen of a given concentration produced in a chemical generator. Preliminary measurements of the singlet-oxygen yield in the EBSD show that its value ∼3% for W ∼ 1.0 kJ L -1 atm -1 is in agreement with the theoretical estimate. Theoretical calculations performed for W ∼ 6.5 kJ L -1 atm -1 at a fixed temperature show that the singlet-oxygen yield may be ∼20%, which is higher than the value required to achieve the lasing threshold in an oxygen-iodine laser at room temperature. (laser applications and other topics in quantum electronics)

Degradation of air polluted by organic compounds

International Nuclear Information System (INIS)

Santoyo O, E.L.; Lizama S, B.E.; Vazquez A, O.; Luna C, P.C.; Arredondo H, S.

1999-01-01

According to the Mexican standard NOM-010-STPS-1994 it has been established concentrations of maximum permissible levels in workable air for styrene in the range 420-1710 mg/m 3 and for xylene between 218-870 mg/m 3 . In this work it is studied a biological treatment (bio filtration) for air polluted by xylene and styrene where the microorganisms are adhered at synthetic fiber, these degrade to the organic compounds that across in gaseous state and they are mineralized toward CO 2 and H 2 O. The characteristics of temperature, p H, concentration of organic compound and mineral parameters, as well as, the biomass quantity have been optimized for that bio filters efficiency were greater than those reported in other works. (Author)

Radiolytic generation of chloro-organic compounds in transuranic and low-level radioactive waste

International Nuclear Information System (INIS)

Reed, D.T.; Armstrong, S.C.; Krause, T.R.

1993-01-01

The radiolytic degradation of chloro-plastics is being investigated to evaluate the formation of chlorinated volatile organic compounds in radioactive waste. These chlorinated VOCs, when their subsequent migration in the geosphere is considered, are potential sources of ground-water contamination. This contamination is an important consideration for transuranic waste repositories being proposed for the Waste Isolation Pilot Plant project and the several additional low-level radioactive waste sites being considered throughout the United States. The production of chlorinated volatile organic compounds due to the interaction of ionizing radiation with chloro-plastic materials has been well-established in both this work and past studies. This occurs as a result of gamma, beta, and alpha particle interactions with the plastic material. The assemblage of organic compounds generated depends on the type of plastic material, the type of ionizing radiation, the gaseous environment present and the irradiation temperature. In the authors' experiments, gas generation data were obtained by mounting representative plastics near (3 mm) an alpha particle source (Am-241 foil). This assembly was placed in an irradiation vessel which contained air, nitrogen, or a hydrogen/carbon dioxide mixture, at near-atmospheric pressures, to simulate the range of atmospheres likely to be encountered in the subsurface. The gas phase in the vessels are periodically sampled for net gas production. The gas phase concentrations are monitored over time to determine trends and calculate the radiolytic yield for the various gaseous products

Volatile organic compounds in emissions from brown-coal-fired residential stoves

International Nuclear Information System (INIS)

Engewald, W.; Knobloch, T.; Efer, J.

1993-01-01

Volatile organic compounds were determined in stack-gas emissions from the residential burning of brown-coal briquets using adsorptive enrichment on hydrophobic adsorbents, thermal desorption and capillary-gas chromatographic analysis. 152 compounds were identified and quantified. Quantitative emission factors of the identified individual compounds were determined in relation to the amount of the fuel used. These factors permit assessment of the pollution of the city of Leipzig with volatile organic compounds resulting from the burning of indigenous lignite. (orig.) [de

Organic astatine compounds, their preparation and properties

Energy Technology Data Exchange (ETDEWEB)

Vasaros, L; Berei, K

1985-01-01

Aromatic astatine compounds of possible medical application were prepared by high energy substitutions, by astatine-halogen, and by electrophil astatine-hydrogen substitutions at the Joint Institute of Nuclear Researches, Dubna. Physico-chemical properties of organic astatine compounds such as boiling point and evaporation heat, and the refraction and dissociation energy of carbon-astatine bonds were determined experimentally by gas chromatography. The results are compared with extrapolated data. (V.N.). 41 refs.; 7 figs.; 5 tables.

Mesoporous nitrogen-doped carbon microfibers derived from Mg-biquinoline-dicarboxy compound for efficient oxygen electroreduction

Energy Technology Data Exchange (ETDEWEB)

Kong, Aiguo, E-mail: agkong@chem.ecnu.edu.cn [School of Chemistry and Molecular Engineering, East China Normal University, 500 Dongchuan Road, Shanghai 200241 (China); Fan, Xiaohong; Chen, Aoling [School of Chemistry and Molecular Engineering, East China Normal University, 500 Dongchuan Road, Shanghai 200241 (China); Zhang, Hengiang [School of Chemistry and Chemical Engineering, Hebei Normal University for Nationalities, Chengde 067000 (China); Shan, Yongkui, E-mail: agkong@chem.ecnu.edu.cn [School of Chemistry and Molecular Engineering, East China Normal University, 500 Dongchuan Road, Shanghai 200241 (China)

2017-02-15

An in-situ MgO-templating synthesis route was introduced to obtain the mesoporous nitrogen-doped carbon microfibers by thermal conversion of new Mg-2,2′-biquinoline 4,4-dicarboxy acid coordination compound (Mg-DCA) microfibers. The investigated crystal structure of Mg-DCA testified that the assembling of Mg{sup 2+} and DCA through Mg-O coordination bond and hydrogen bond contributed to the formation of one-dimensional (1D) crystalline Mg-DCA microfibers. The nitrogen-doped carbons derived from the pyrolysis of Mg-DCA showed the well-defined microfiber morphology with high mesopore-surface area. Such mesoporous microfibers exhibited the efficient catalytic activity for oxygen reduction reaction (ORR) in alkaline solutions with better stability and methanol-tolerance performance. - Graphical abstract: Mesoporous nitrogen-doped carbon microfibers with efficient oxygen electroreduction activity were prepared by thermal conversion of new Mg-biquinoline-based coordination compound microfibers.

Performance specifications for technology development: Application for characterization of volatile organic compounds in the environment

Energy Technology Data Exchange (ETDEWEB)

Carpenter, S.E.; Doskey, P.V.; Erickson, M.D.; Lindahl, P.C.

1994-07-01

This report contains information about technology development for the monitoring and remediation of environmental pollution caused by the release of volatile organic compounds. Topics discussed include: performance specification processes, gas chromatography, mass spectrometer, fiber-optic chemical sensors, infrared spectroscopy, Raman spectroscopy, piezoelectric sensors and electrochemical sensors. These methods are analyzed for their cost efficiency, accuracy, and the ability to meet the needs of the customer.

Detection of organic compounds with whole-cell bioluminescent bioassays.

Science.gov (United States)

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 assessment. Although these detections have traditionally been performed using analytical chemical approaches that offer highly sensitive and specific identification of target compounds, these methods require specialized equipment and trained operators, and fail to describe potential bioavailable effects on living organisms. Alternatively, the integration of bioluminescent systems into whole-cell bioreporters presents a new capacity for organic compound detection. These bioreporters are constructed by incorporating reporter genes into catabolic or signaling pathways that are present within living cells and emit a bioluminescent signal that can be detected upon exposure to target chemicals. Although relatively less specific compared to analytical methods, bioluminescent bioassays are more cost-effective, more rapid, can be scaled to higher throughput, and can be designed to report not only the presence but also the bioavailability of target substances. This chapter reviews available bacterial and eukaryotic whole-cell bioreporters for sensing organic pollutants and their applications in a variety of sample matrices.

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 plant species, and can be extracted from decaying litter. Naturally occurring monoterpenes in the rhizosphere provide a specialised carbon source for micro-organisms, helping to define the micro-organism community structure, and impacting on nutrient cycles which are partly controlled by microorganisms. Naturally occurring monoterpenes in the soil system could also affect the aboveground structure of ecosystems because of their role in plant defence strategies and as mediating chemicals in 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

Effect of micro-oxygenation on color and anthocyanin-related compounds of wines with different phenolic contents.

Science.gov (United States)

Cano-López, Marta; Pardo-Mínguez, Francisco; Schmauch, Gregory; Saucier, Cedric; Teissedre, Pierre-Louis; López-Roca, Jose María; Gómez-Plaza, Encarna

2008-07-23

Several factors may affect the results obtained when micro-oxygenation is applied to red wines, the most important being the moment of application, the doses of oxygen, and the wine phenolic characteristics. In this study, three red wines, made from Vitis vinifera var. Monastrell (2005 vintage) and with different phenolic characteristics, were micro-oxygenated to determine as to how this technique affected the formation of new pigments in the wines and their chromatic characteristics. The results indicated that the different wines were differently affected by micro-oxygenation. In general, the micro-oxygenated wines had a higher percentage of new anthocyanin-derived pigments, being that this formation is more favored in the wines with the highest total phenol content. These compounds, in turn, significantly increased the wine color intensity. The wine with the lowest phenolic content was less influenced by micro-oxygenation, and the observed evolution in the degree of polymerization of tannins suggested that it might have suffered overoxygenation.

Characterization of organic matter in cloud waters sampled at the puy de Dôme mountain using FT-ICR-MS

Science.gov (United States)

Bianco, A.; Chaumerliac, N.; Vaitilingom, M.; Deguillaume, L.; Bridoux, M. C.

2017-12-01

The chemical composition of organic matter in cloud water is highly complex. The organic species result from their dissolution from the gas phase or from the soluble fraction of the particle phase. They are also produced by aqueous phase reactivity. Several low molecular weight organic species have been quantified such as aldehydes and carboxylic acids. Recently, amino acids were also detected in cloud water and their presence is related to the presence of microorganisms. Compounds presenting similarities with high molecular weight organic substances or HULIS found in aerosols were also observed in clouds. Overall, these studies mainly focused on individual compounds or functional groups rather than the complex mixture at the molecular level. This study presents a non-targeted approach to characterize the organic matter in clouds. Samples were collected at the puy de Dôme Mountain (France). Two cloud water samples (June & July 2016) were analyzed using high resolution mass spectrometry (ESI-FT-ICR-MS 9.4T). A reversed solid phase extraction (SPE) procedure was performed to concentrate dissolved organic matter components. Composer (v.1.5.3) software was used to filter the mass spectral data, recalibrate externally the dataset and calculate all possible formulas for detected anions. The first cloud sample (June) resulted from air mass coming from the North (North Sea) while the second one (July) resulted from air mass coming from the West (Atlantic Ocean). Thus, both cloud events derived from marine air masses but were characterized by different hydrogen peroxide concentration and dissolved organic carbon content and were sampled at different periods during the day. Elemental compositions of 6487 and 3284 unique molecular species were identified in each sample. Nitrogen-containing compounds (CHNO compounds), sulfur-containing compounds (CHOS & CHNOS compounds) and other oxygen-containing compounds (CHO compounds) with molecular weights up to 800 Da were detected

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.

Snowpack concentrations and estimated fluxes of volatile organic compounds in a boreal forest

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H. Aaltonen

2012-06-01

Full Text Available Soil provides an important source of volatile organic compounds (VOCs to atmosphere, but in boreal forests these fluxes and their seasonal variations have not been characterized in detail. Especially wintertime fluxes are almost completely unstudied. In this study, we measured the VOC concentrations inside the snowpack in a boreal Scots pine (Pinus sylvestris L. forest in southern Finland, using adsorbent tubes and air samplers installed permanently in the snow profile. Based on the VOC concentrations at three heights inside the snowpack, we estimated the fluxes of these gases. We measured 20 VOCs from the snowpack, monoterpenes being the most abundant group with concentrations varying from 0.11 to 16 μg m⁻³. Sesquiterpenes and oxygen-containing monoterpenes were also detected. Inside the pristine snowpack, the concentrations of terpenoids decreased from soil surface towards the surface of the snow, suggesting soil as the source for terpenoids. Forest damages (i.e. broken treetops and branches, fallen trees resulting from heavy snow loading during the measurement period increased the terpenoid concentrations dramatically, especially in the upper part of the snowpack. The results show that soil processes are active and efficient VOC sources also during winter, and that natural or human disturbance can increase forest floor VOC concentrations substantially. Our results stress the importance of soil as a source of VOCs during the season when other biological sources, such as plants, have lower activity.

Volatile organic compounds in a residential and commercial urban area with a diesel, compressed natural gas and oxygenated gasoline vehicular fleet.

Science.gov (United States)

Martins, Eduardo Monteiro; Arbilla, Graciela; Gatti, Luciana Vanni

2010-02-01

Air samples were collected in a typical residential and commercial area in Rio de Janeiro, Brazil, where buses and trucks use diesel and light duty vehicles use compressed natural gas, ethanol, and gasohol (gasoline blended with ethanol) as fuel. A total of 66 C3-C12 volatile organic compounds (VOCs) were identified. The most abundant compounds, on a mass concentration basis, included propane, isobutane, i-pentane, m,p-xylene, 1,3,5-trimethylbenzene, toluene, styrene, ethylbenzene, isopropylbenzene, o-xylene and 1,2,4-trimethylbenzene. Two VOCs photochemical reactivity rankings are presented: one involves reaction with OH and the other involves production of ozone.

Adsorption of volatile sulphur compounds onto modified activated carbons: Effect of oxygen functional groups

International Nuclear Information System (INIS)

Vega, Esther; Lemus, Jesús; Anfruns, Alba; Gonzalez-Olmos, Rafael; Palomar, José; Martin, María J.

2013-01-01

Highlights: • HNO 3 oxidation incorporates a higher amount of functionalities than O 3 oxidation. • The loss of porosity is compensated by the massive incorporation of oxygen groups. • HNO 3 oxidation increases OH groups in AC and the ETM and DMS adsorption capacities. • The oxygen functional groups in the AC surface did not affect the DMDS adsorption. • COSMO-RS predicts the important role of OH groups for VSC adsorption. -- Abstract: The effect of physical and chemical properties of activated carbon (AC) on the adsorption of ethyl mercaptan, dimethyl sulphide and dimethyl disulphide was investigated by treating a commercial AC with nitric acid and ozone. The chemical properties of ACs were characterised by temperature programme desorption and X-ray photoelectron spectroscopy. AC treated with nitric acid presented a larger amount of oxygen functional groups than materials oxidised with ozone. This enrichment allowed a significant improvement on adsorption capacities for ethyl mercaptan and dimethyl sulphide but not for dimethyl disulphide. In order to gain a deeper knowledge on the effect of the surface chemistry of AC on the adsorption of volatile sulphur compounds, the quantum-chemical COSMO-RS method was used to simulate the interactions between AC surface groups and the studied volatile sulphur compounds. In agreement with experimental data, this model predicted a greater affinity of dimethyl disulphide towards AC, unaffected by the incorporation of oxygen functional groups in the surface. Moreover, the model pointed out to an increase of the adsorption capacity of AC by the incorporation of hydroxyl functional groups in the case of ethyl mercaptan and dimethyl sulphide due to the hydrogen bond interactions

Adsorption of volatile sulphur compounds onto modified activated carbons: Effect of oxygen functional groups

Energy Technology Data Exchange (ETDEWEB)

Vega, Esther, E-mail: esther@lequia.udg.cat [LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, Girona, Catalonia E-17071 (Spain); Lemus, Jesús [Universidad de Madrid, Sección de Ingeniería Química, Cantoblanco, Madrid E-28049 (Spain); Anfruns, Alba; Gonzalez-Olmos, Rafael [LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, Girona, Catalonia E-17071 (Spain); Palomar, José [Universidad de Madrid, Sección de Ingeniería Química, Cantoblanco, Madrid E-28049 (Spain); Martin, María J. [LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, Girona, Catalonia E-17071 (Spain)

2013-08-15

Highlights: • HNO{sub 3} oxidation incorporates a higher amount of functionalities than O{sub 3} oxidation. • The loss of porosity is compensated by the massive incorporation of oxygen groups. • HNO{sub 3} oxidation increases OH groups in AC and the ETM and DMS adsorption capacities. • The oxygen functional groups in the AC surface did not affect the DMDS adsorption. • COSMO-RS predicts the important role of OH groups for VSC adsorption. -- Abstract: The effect of physical and chemical properties of activated carbon (AC) on the adsorption of ethyl mercaptan, dimethyl sulphide and dimethyl disulphide was investigated by treating a commercial AC with nitric acid and ozone. The chemical properties of ACs were characterised by temperature programme desorption and X-ray photoelectron spectroscopy. AC treated with nitric acid presented a larger amount of oxygen functional groups than materials oxidised with ozone. This enrichment allowed a significant improvement on adsorption capacities for ethyl mercaptan and dimethyl sulphide but not for dimethyl disulphide. In order to gain a deeper knowledge on the effect of the surface chemistry of AC on the adsorption of volatile sulphur compounds, the quantum-chemical COSMO-RS method was used to simulate the interactions between AC surface groups and the studied volatile sulphur compounds. In agreement with experimental data, this model predicted a greater affinity of dimethyl disulphide towards AC, unaffected by the incorporation of oxygen functional groups in the surface. Moreover, the model pointed out to an increase of the adsorption capacity of AC by the incorporation of hydroxyl functional groups in the case of ethyl mercaptan and dimethyl sulphide due to the hydrogen bond interactions.

On the enrichment of hydrophobic organic compounds in fog droplets

Science.gov (United States)

Valsaraj, K. T.; Thoma, G. J.; Reible, D. D.; Thibodeaux, L. J.

The unusual degree of enrichment of hydrophobic organics in fogwater droplets reported by several investigators can be interpreted as a result of (a) the effects of temperature correction on the reported enrichment factors, (b) the effects of colloidal organic matter (both filterable and non-filterable) in fog water and (c) the effects of the large air-water interfacial adsorption of neutral hydrophobic organics on the tiny fog droplets. The enrichment factor was directly correlated to the hydrophobicity (or the activity coefficient in water) of the compounds, as indicated by their octanol-water partition constants. Compounds with large octanol-water partition coefficients (high activity coefficients in water) showed the largest enrichment. Available experimental data on the adsorption of hydrophobic compounds at the air-water interface and on colloidal organic carbon were used to show that the large specific air-water interfacial areas of fog droplets contribute significantly to the enrichment factor.

Hexamethyldisiloxane thin films as sensitive coating for quartz crystal microbalance based volatile organic compounds sensors

International Nuclear Information System (INIS)

Boutamine, M.; Bellel, A.; Sahli, S.; Segui, Y.; Raynaud, P.

2014-01-01

Hexamethyldisiloxane (HMDSO) thin films coated quartz crystal microbalance (QCM) electrodes have been characterized for the detection of volatile organic compounds (VOCs). The sensitive coatings were plasma polymerized in pure vapor of HMDSO and HMDSO/O 2 mixture. The sensor sensitivity was evaluated by monitoring the frequency shift (∆f) of the coated QCM electrode exposed to different concentrations of VOC vapors, such as ethanol, methanol, benzene and chloroform. The isotherm response characteristics showed good reproducibility and reversibility. For all types of analyte, ∆f were found to be linearly correlated with the concentration of VOC vapor. It was shown that it is possible to tune the chemical affinity of the sensor by changing the oxygen ratio in the deposition gas mixture. Contact angle measurements (CA), attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, atomic force microscopy (AFM) and scanning electron microscopy (SEM) were used to study surface wettability, chemical composition and surface morphology of the coated QCM electrodes. ATR-FTIR analysis showed the presence of methyl groups around 840 cm −1 due to Si-(CH 3 ) 3 rocking vibration making the elaborated sensor surface hydrophobic. When the coating is performed in HMDSO/O 2 mixture, AFM and SEM images showed an increase in the effective specific surface area of the sensor due to the increase in surface roughness. Surface morphology combined with chemical composition significantly affects the sensitivity of the QCM-based sensor. - Highlights: • Hexamethyldisiloxane layers were evaluated for volatile organic compounds detection. • The kinetic response of the sensor showed good reproducibility and reversibility. • Hydrophobic coating and high specific surface area increase the sensor sensitivity. • Sensor affinity can be controlled by controlling oxygen proportion in the mixture

Source apportionment of airborne particulate matter using organic compounds as tracers

Science.gov (United States)

Schauer, James J.; Rogge, Wolfgang F.; Hildemann, Lynn M.; Mazurek, Monica A.; Cass, Glen R.; Simoneit, Bernd R. T.

A chemical mass balance receptor model based on organic compounds has been developed that relates source contributions to airborne fine particle mass concentrations. Source contributions to the concentrations of specific organic compounds are revealed as well. The model is applied to four air quality monitoring sites in southern California using atmospheric organic compound concentration data and source test data collected specifically for the purpose of testing this model. The contributions of up to nine primary particle source types can be separately identified in ambient samples based on this method, and approximately 85% of the organic fine aerosol is assigned to primary sources on an annual average basis. The model provides information on source contributions to fine mass concentrations, fine organic aerosol concentrations and individual organic compound concentrations. The largest primary source contributors to fine particle mass concentrations in Los Angeles are found to include diesel engine exhaust, paved road dust, gasoline-powered vehicle exhaust, plus emissions from food cooking and wood smoke, with smaller contribution from tire dust, plant fragments, natural gas combustion aerosol, and cigarette smoke. Once these primary aerosol source contributions are added to the secondary sulfates, nitrates and organics present, virtually all of the annual average fine particle mass at Los Angeles area monitoring sites can be assigned to its source.

Carotenoids from Marine Organisms: Biological Functions and Industrial Applications

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Christian Galasso

2017-11-01

Full Text Available As is the case for terrestrial organisms, carotenoids represent the most common group of pigments in marine environments. They are generally biosynthesized by all autotrophic marine organisms, such as bacteria and archaea, algae and fungi. Some heterotrophic organisms also contain carotenoids probably accumulated from food or partly modified through metabolic reactions. These natural pigments are divided into two chemical classes: carotenes (such as lycopene and α- and β-carotene that are composed of hydrogen and carbon; xanthophylls (such as astaxanthin, fucoxanthin and lutein, which are constituted by hydrogen, carbon and oxygen. Carotenoids, as antioxidant compounds, assume a key role in the protection of cells. In fact, quenching of singlet oxygen, light capture and photosynthesis protection are the most relevant biological functions of carotenoids. The present review aims at describing (i the biological functions of carotenoids and their benefits for human health, (ii the most common carotenoids from marine organisms and (iii carotenoids having large success in pharmaceutical, nutraceutical and cosmeceutical industries, highlighting the scientific progress in marine species cultivation for natural pigments production.

Oxidation of refractory sulfur compounds over Ti-containing mesoporous molecular sieves prepared by using a fluorosilicon compound.

Science.gov (United States)

Jeong, Kwang-Eun; Cho, Chin-Soo; Chae, Ho-Jeong; Kim, Chul-Ung; Jeong, Soon-Yong

2010-05-01

Titanium containing mesoporous molecular sieve (Ti-MMS) catalysts were studied for the oxidative desulfurization of refractory sulfur compounds. Ti-MMS catalysts were synthesized from fluorosilicon compounds and Ti with the hydrolysis reaction of H2SiF6 in an ammonia-surfactant mixed solution. The solid products were characterized by XRD, XRF, nitrogen adsorption, and diffuse reflectance UV-vis spectroscopy. Effects of Ti loading and oxidant/sulfur mole ratio, and sulfur species on ODS activity were investigated.

Phosphorus sorption on marine carbonate sediment: phosphonate as model organic compounds.

Science.gov (United States)

Huang, Xiao-Lan; Zhang, Jia-Zhong

2011-11-01

Organophosphonate, characterized by the presence of a stable, covalent, carbon to phosphorus (C-P) bond, is a group of synthetic or biogenic organophosphorus compounds. The fate of these organic phosphorus compounds in the environment is not well studied. This study presents the first investigation on the sorption of phosphorus (P) in the presence of two model phosphonate compounds, 2-aminothylphosphonoic acid (2-AEP) and phosphonoformic acid (PFA), on marine carbonate sediments. In contrast to other organic P compounds, no significant inorganic phosphate exchange was observed in seawater. P was found to adsorb on the sediment only in the presence of PFA, not 2-AEP. This indicated that sorption of P from phosphonate on marine sediment was compound specific. Compared with inorganic phosphate sorption on the same sediments, P sorption from organic phosphorus is much less in the marine environment. Further study is needed to understand the potential role of the organophosphonate compounds in biogeochemical cycle of phosphorus in the environment. Copyright © 2011 Elsevier Ltd. All rights reserved.

Nonlinear optical and optical limiting properties of fullerene, multi-walled carbon nanotubes, graphene and their derivatives with oxygen-containing functional groups

International Nuclear Information System (INIS)

Zhang, Xiao-Liang; Li, Xiao-Chun; Liu, Zhi-Bo; Yan, Xiao-Qing; Tian, Jian-Guo; Chen, Yong-Sheng

2015-01-01

Nonlinear optical properties (NLO) and optical limiting effect of fullerene (C 60 ), multi-walled carbon nanotubes (MWNTs), reduced graphene oxide (RGO) and their oxygenated derivatives were investigated by open-aperture Z-scan technique with nanosecond pulses at 532 nm. C 60 functionalized by oxygen-containing functional groups exhibits weaker NLO properties than that of pristine C 60 . Graphene oxide (GO) with many oxygen-containing functional groups also shows weaker NLO properties than that of RGO. That can be attributed to the disruption of conjugative structures of C 60 and graphene by oxygen-containing functional groups. However, MWNTs and their oxygenated derivatives exhibit comparable NLO properties due to the small weight ratio of these oxygen-containing groups. To investigate the correlation between structures and NLO response for these carbon nanomaterials with different dimensions, nonlinear scattered signal spectra versus input fluence were also measured. (paper)

Arylsulfotransferase from Clostridium innocuum-A new enzyme catalyst for sulfation of phenol-containing compounds.

Science.gov (United States)

Mozhaev, Vadim V; Khmelnitsky, Yuri L; Sanchez-Riera, Fernando; Maurina-Brunker, Julie; Rosson, Reinhardt A; Grund, Alan D

2002-06-05

Arylsulfotransferase (AST, EC 2.8.2.22), an enzyme capable of sulfating a wide range of phenol-containing compounds was purified from a Clostridium innocuum isolate (strain 554). The enzyme has a molecular weight of 320 kDa and is composed of four subunits. Unlike many mammalian and plant arylsulfotransferases, AST from Clostridium utilizes arylsulfates, including p-nitrophenyl sulfate, as sulfate donors, and is not reactive with 3-phosphoadenosine-5'-phosphosulfate (PAPS). The enzyme possesses broad substrate specificity and is active with a variety of phenols, quinones and flavonoids, but does not utilize primary and secondary alcohols and sugars as substrates. Arylsulfotransferase tolerates the presence of 10 vol% of polar cosolvents (dimethyl formamide, acetonitrile, methanol), but loses significant activity at higher solvent concentrations of 30-40 vol%. The enzyme retains high arylsulfotransferase activity in biphasic systems composed of water and nonpolar solvents, such as cyclohexane, toluene and chloroform, while in biphasic systems with more polar solvents (ethyl acetate, 2-pentanone, methyl tert-butyl ether, and butyl acetate) the enzyme activity is completely lost. High yields of AST-catalyzed sulfation were achieved in reactions with several phenols and tyrosine-containing peptides. Overall, AST studied in this work is a promising biocatalyst in organic synthesis to afford efficient sulfation of phenolic compounds under mild reaction conditions. Copyright 2002 Wiley Periodicals, Inc. Biotechnol Bioeng 78: 567-575, 2002.

Method for extraction of neutral substances containing oxygen from oils containing them, for example, from oils obtained by means of thermic treatment of combustible and bituminous substances

Energy Technology Data Exchange (ETDEWEB)

1942-01-05

A method is described for the production of neutral substances containing oxygen from the oils containing them and which boil below about 180/sup 0/C and particularly between about 30 and 150/sup 0/C characterized by the fact that the oils are treated with an alkaline solution of alkaline phenolate and that from alkaline solutions are recovered by means of distillation or extraction the neutral substances containing oxygen which they had absorbed.

Synthesis and Odor Evaluation of Five New Sulfur-Containing Ester Flavor Compounds from 4-Ethyloctanoic Acid

Directory of Open Access Journals (Sweden)

Baoguo Sun

2010-07-01

Full Text Available Five sulfur-containing flavor compounds were synthesized for the first time by the reaction of 4-ethyloctanoyl chloride with sulfur-containing alcohols or mercaptans. The synthesized compounds are 3-(methylthiopropyl 4-ethyloctanoate, 2-methyl-3-tetrahydro-furanthiol 4-ethyloctanoate, 4-methyl-5-thiazoleethanol 4-ethyloctanoate, 2-furan-methanethiol 4-ethyloctanoate and 2-methyl-3-furanthiol 4-ethyloctanoate. These five synthetic sulfur-containing ester flavor compounds all have meaty odor and might be used in foods if approved for this purpose in the future.

Synthesis and odor evaluation of five new sulfur-containing ester flavor compounds from 4-ethyloctanoic acid.

Science.gov (United States)

Liu, Yuping; Chen, Haitao; Yin, Decai; Sun, Baoguo

2010-07-29

Five sulfur-containing flavor compounds were synthesized for the first time by the reaction of 4-ethyloctanoyl chloride with sulfur-containing alcohols or mercaptans. The synthesized compounds are 3-(methylthio)propyl 4-ethyloctanoate, 2-methyl-3-tetrahydro-furanthiol 4-ethyloctanoate, 4-methyl-5-thiazoleethanol 4-ethyloctanoate, 2-furan-methanethiol 4-ethyloctanoate and 2-methyl-3-furanthiol 4-ethyloctanoate. These five synthetic sulfur-containing ester flavor compounds all have meaty odor and might be used in foods if approved for this purpose in the future.

Molecular characterization of water soluble organic nitrogen in marine rainwater by ultra-high resolution electrospray ionization mass spectrometry

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K. E. Altieri

2012-04-01

Full Text Available Atmospheric water soluble organic nitrogen (WSON is a subset of the complex organic matter in aerosols and rainwater, which impacts cloud condensation processes and aerosol chemical and optical properties and may play a significant role in the biogeochemical cycle of N. However, its sources, composition, connections to inorganic N, and variability are largely unknown. Rainwater samples were collected on the island of Bermuda (32.27° N, 64.87° W, which experiences both anthropogenic and marine influenced air masses. Samples were analyzed by ultra-high resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry to chemically characterize the WSON. Elemental compositions of 2281 N containing compounds were determined over the mass range m/z⁺ 50 to 500. The five compound classes with the largest number of elemental formulas identified, in order from the highest number of formulas to the lowest, contained carbon, hydrogen, oxygen, and nitrogen (CHON+, CHON compounds that contained sulfur (CHONS+, CHON compounds that contained phosphorus (CHONP+, CHON compounds that contained both sulfur and phosphorus (CHONSP+, and compounds that contained only carbon, hydrogen, and nitrogen (CHN+. Compared to rainwater collected in the continental USA, average O:C ratios of all N containing compound classes were lower in the marine samples whereas double bond equivalent values were higher, suggesting a reduced role of secondary formation mechanisms. Despite their prevalence in continental rainwater, no organonitrates or nitrooxy-organosulfates were detected, but there was an increased presence of organic S and organic P containing compounds in the marine rainwater. Cluster analysis showed a clear chemical distinction between samples collected during the cold season (October to March which have anthropogenic air mass origins and samples collected during the warm season (April to September with remote

A study on the photo catalytic decomposition reactions of organics dissolved in water (II)

International Nuclear Information System (INIS)

Sung, K.W.; Na, J. W.; Cho, Y. H.; Chung, H. H.

2000-01-01

Experiments on aqueous TiO 2 photo catalytic reaction of nitrogen containing organic compounds such as ethylamine, phenylhydrazine, pyridine, urea and EDTA were carried out. Based on the values calculated for the distribution of ionic species and atomic charge, the characteristics of their photo catalytic decomposition were estimated. It was shown that the decomposition characteristics was linearly proportional to nitrogen atomic charge value. On the other hand, the effects of aqueous pH, oxygen content and concentration on the TiO 2 photo catalytic characteristics of EDTA, EDTA-Cu(II) and EDTA-Fe(III) were experimentally investigated. All EDTA systems were decomposed better in the pH range of 2.5-3.0 and with more dissolved oxygen. These results could be applied to construction of a process for removal of organic impurities dissolved in a source of system water, or for treatment of EDTA-containing liquid waste produced by a chemical cleaning in the domestic NPPs. (author)

A study on the photo catalytic decomposition reactions of organics dissolved in water (II)

Energy Technology Data Exchange (ETDEWEB)

Sung, K.W.; Na, J. W.; Cho, Y. H.; Chung, H. H

2000-01-01

Experiments on aqueous TiO{sub 2} photo catalytic reaction of nitrogen containing organic compounds such as ethylamine, phenylhydrazine, pyridine, urea and EDTA were carried out. Based on the values calculated for the distribution of ionic species and atomic charge, the characteristics of their photo catalytic decomposition were estimated. It was shown that the decomposition characteristics was linearly proportional to nitrogen atomic charge value. On the other hand, the effects of aqueous pH, oxygen content and concentration on the TiO{sub 2} photo catalytic characteristics of EDTA, EDTA-Cu(II) and EDTA-Fe(III) were experimentally investigated. All EDTA systems were decomposed better in the pH range of 2.5-3.0 and with more dissolved oxygen. These results could be applied to construction of a process for removal of organic impurities dissolved in a source of system water, or for treatment of EDTA-containing liquid waste produced by a chemical cleaning in the domestic NPPs. (author)

Chemical Modification of Radiation Copolymerized of [N-Vinyl-2-Pyrrolidone/2-(4-Methoxy-Benzylidine)-Malononitrile] with Some Organic Compounds and Their Biological Activity

International Nuclear Information System (INIS)

El Sawy, N.M.; Mostafa, T.B.

2012-01-01

N-Vinyl-2-Pyrrolidone (NVP) was copolymerized with 2-(4-methoxy benzylidine)-malononitrile (MBM) monomers to form a new copolymer, P(MBM-co-NVP), containing nitrile groups. The characterization of copolymer and their modified with organic compounds such as thiourea, thiosemicarbazide,2-aminothiazole, N-Glycyl glycine, 4-amino-N-[5-methyl-3-isoxazolyl]benzene sulfonamide and 4-amino-N-[4-methyl-2-pyrimidnyl]benzene sulfonamide was carried out by Fourier transform infrared spectroscopy (FTIR), Elemental analysis (EA), Gel Permeation Chromatograph (GPC), Differential Scanning Calorimetry (DSC) and Thermal Gravimetric analysis (TGA). The changes in surface morphology of the prepared copolymer and its modified copolymers were observed by scanning electron microscopy (SEM). The biological activity of the modified copolymers with some organic compounds containing with or without sulfur was investigated. The results revealed that the biological activity of the modified copolymers was higher than that of the copolymer ones, under the same conditions. An improvement of prepared copolymers by modification with various organic compounds showed great promise in some practical applications in the field of antibacterial activity.

Preparation of radioactive labelled compounds Pt.1. 82Br labelled organic bromine compounds

International Nuclear Information System (INIS)

Otto, R.

1988-05-01

A simple method allowing the preparation of 82 Br labelled organic bromine compounds from olefins with chemical and radiochemical yields between 75 and 95% and the specific activities required, is described [fr

Trace element, semivolatile organic, and chlorinated organic compound concentrations in bed sediments of selected streams at Fort Gordon, Georgia, February-April 2010

Science.gov (United States)

Thomas, Lashun K.; Journey, Celeste A.; Stringfield, Whitney J.; Clark, Jimmy M.; Bradley, Paul M.; Wellborn, John B.; Ratliff, Hagan; Abrahamsen, Thomas A.

2011-01-01

sediment samples from most nonreference sites exceeded concentrations in samples from reference sites at Fort Gordon. Bed sediments from one of the nonreference sites sampled contained the highest concentrations of copper and lead with elevated levels of zinc and chromium relative to reference sites. The percentage change of major ions, trace elements, and total organic carbon that had been detected at sites previously sampled in May 1998 and current bed sediment sites ranged from -4 to 8 percent with an average percentage change of less than 1 percent. Concentrations of major ions and trace elements in bed sediments exceeded probable effect levels for aquatic life (based on the amphipod Hyalella azteca) established by the U.S. Environmental Protection Agency at 46 and 69 percent of the current and previously sampled locations, respectively. The greatest frequency of exceedances for major ions and trace elements in bed sediments was observed for lead. Concentrations of semivolatile organic compounds, organochlorine pesticides, and polychlorinated biphenyls were detected in bed sediment samples at 94 percent of the sites currently sampled. Detections of these organic compounds were reported with greater frequency in bed sediments at upstream sampling locations, when compared to downstream locations. The greatest number of detections of these compounds was reported for bed sediment samples collected from two creeks above a lake. The percentage change of semivolatile organic compounds detected at previously sampled and current bed sediment sites ranged from -68 to 100 percent with the greatest percentage increase reported for one of the creeks above the lake. Concentrations of semivolatile organic compounds and polychlorinated biphenyls in bed sediments exceeded aquatic life criteria established by the U.S. Environmental Protection Agency at three sites. Contaminant compounds exceeding aquatic life criteria included fluoranthene, phenanthrene, anthracene, benzo(a)anthracene

Volatile Organic Compounds from Logwood Combustion: Emissions and Transformation under Dark and Photochemical Aging Conditions in a Smog Chamber.

Science.gov (United States)

Hartikainen, Anni; Yli-Pirilä, Pasi; Tiitta, Petri; Leskinen, Ari; Kortelainen, Miika; Orasche, Jürgen; Schnelle-Kreis, Jürgen; Lehtinen, Kari E J; Zimmermann, Ralf; Jokiniemi, Jorma; Sippula, Olli

2018-04-17

Residential wood combustion (RWC) emits high amounts of volatile organic compounds (VOCs) into ambient air, leading to formation of secondary organic aerosol (SOA), and various health and climate effects. In this study, the emission factors of VOCs from a logwood-fired modern masonry heater were measured using a Proton-Transfer-Reactor Time-of-Flight Mass Spectrometer. Next, the VOCs were aged in a 29 m 3 Teflon chamber equipped with UV black lights, where dark and photochemical atmospheric conditions were simulated. The main constituents of the VOC emissions were carbonyls and aromatic compounds, which accounted for 50%-52% and 30%-46% of the detected VOC emission, respectively. Emissions were highly susceptible to different combustion conditions, which caused a 2.4-fold variation in emission factors. The overall VOC concentrations declined considerably during both dark and photochemical aging, with simultaneous increase in particulate organic aerosol mass. Especially furanoic and phenolic compounds decreased, and they are suggested to be the major precursors of RWC-originated SOA in all aging conditions. On the other hand, dark aging produced relatively high amounts of nitrogen-containing organic compounds in both gas and particulate phase, while photochemical aging increased especially the concentrations of certain gaseous carbonyls, particularly acid anhydrides.

Some methods for labelling organic compounds by deuterium

International Nuclear Information System (INIS)

Moustapha, C.

1988-01-01

The rapid growth of knowledge in the fields of biochemistry, physiology, and molecular biology reflects to a considerable degree the utilization of stable isotopes (specially deuterium) in the study of chemical reactions and fragmentation mechanisms in mass spectrometry, as well as in the pharmacological and biological studies. Organic compounds maybe labelled by deuterium through classic organic reactions by using special deuterated solvents and reagents. This article discusses some reactions, with examples on how to prepare labelled compounds with high isotopic purety. These reactions are: exchange reactions in acid and alkaline media (the exchange in the chromatographic column in liquid and gas phases, the exchange in homogenous medium), reduction reactions of functional groups as well as saturation of the double bounds by deuterium using hydrogenation catalystes, electrochemical reactions using KOLBE, and photochemical reactions. This article also deals with spectroscopic properties of deuterium and the methods which are used to identify its compounds such as infrared, nuclear magnetic resonance, and mass spectroscopy. 37 refs., 2 figs

Volatile organic compounds

International Nuclear Information System (INIS)

Silseth, May Liss

1998-01-01

The goal is: Not more emission of volatile organic compounds (VOCs) than necessary. The items discussed in this presentation are the VOCs, how to calculate emission of VOCs, how to reduce or avoid them, and different recovery processes. The largest source of Norwegian emissions of non methane VOCs (NMVOCs) is offshore loading of raw petroleum. Emissions of VOCs should be reduced mainly for two reasons: (1) on sunny days NMVOCs may react with NOx to form ozon and smog close to the surface, (2) ozone and smog close to the surface may be harmful to plants and animals, and they are hazardous to human health. As for the calculation of VOC emissions, the VOCON project will release the calculation program HCGASS in 1999. This project is a cooperative project headed by SINTEF/Marintek

Structure and optical properties of several organic-inorganic hybrids containing corner-sharing chains of bismuth iodide octahedra.

Science.gov (United States)

Mitzi, D B; Brock, P

2001-04-23

Two organic-inorganic bismuth iodides of the form (H3N-R-NH3)BiI5 are reported, each containing long and relatively flexible organic groups, R. The norganic framework in each case consists of distorted BiI6 octahedra sharing cis vertexes to form zigzag chains. Crystals of (H3NC18H24S2NH3)BiI5 were grown from a slowly cooled ethylene glycol/2-butanol solution containing bismuth(III) iodide and AETH.2HI, where AETH = 1,6-bis[5'-(2' '-aminoethyl)-2'-thienyl]hexane. The new compound, (H2AETH)BiI5, adopts an orthorhombic (Aba2) cell with the lattice parameters a = 20.427(3) A, b = 35.078(5) A, c = 8.559(1) A, and Z = 8. The structure consists of corrugated layers of BiI5(2-) chains, with Bi-I bond lengths ranging from 2.942(3) to 3.233(3) A, separated by layers of the organic (H2AETH)(2+) cations. Crystals of the analogous (H3NC12H24NH3)BiI5 compound were also prepared from a concentrated aqueous hydriodic acid solution containing bismuth(III) iodide and the 1,12-dodecanediamine (DDDA) salt, DDDA.2HI. (H2DDDA)BiI5 crystallizes in an orthorhombic (Ibam) cell with a = 17.226(2) A, b = 34.277(4) A, c = 8.654(1) A, and Z = 8. The Bi-I bonds range in length from 2.929(1) to 3.271(1) A. While the inorganic chain structure is nearly identical for the two title compounds, as well as for the previously reported (H3NC6H12NH3)BiI5 [i.e., (H2DAH)BiI5] structure, the packing of the chains is strongly influenced by the choice of organic cation. Optical absorption spectra for thermally ablated thin films of the three organic-inorganic hybrids containing BiI5(2-) chains are reported as a function of temperature (25-290 K). The dominant long-wavelength feature in each case is attributed to an exciton band, which is apparent at room temperature and, despite the similar inorganic chain structure, varies in position from 491 to 541 nm (at 25 K).

Plant for producing an oxygen-containing additive as an ecologically beneficial component for liquid motor fuels

Science.gov (United States)

Siryk, Yury Paul; Balytski, Ivan Peter; Korolyov, Volodymyr George; Klishyn, Olexiy Nick; Lnianiy, Vitaly Nick; Lyakh, Yury Alex; Rogulin, Victor Valery

2013-04-30

A plant for producing an oxygen-containing additive for liquid motor fuels comprises an anaerobic fermentation vessel, a gasholder, a system for removal of sulphuretted hydrogen, and a hotwell. The plant further comprises an aerobic fermentation vessel, a device for liquid substance pumping, a device for liquid aeration with an oxygen-containing gas, a removal system of solid mass residue after fermentation, a gas distribution device; a device for heavy gases utilization; a device for ammonia adsorption by water; a liquid-gas mixer; a cavity mixer, a system that serves superficial active and dispersant matters and a cooler; all of these being connected to each other by pipelines. The technical result being the implementation of a process for producing an oxygen containing additive, which after being added to liquid motor fuels, provides an ecologically beneficial component for motor fuels by ensuring the stability of composition fuel properties during long-term storage.

Organic compounds and suspended matter in the White Sea snow-ice cover

International Nuclear Information System (INIS)

Nemirovskaya, I.; Shevchenko, V.

2008-01-01

The pollution of the White Sea snow-ice cover was estimated by examining the distribution of organic compounds, including oil and pyrogenic hydrocarbons. Ice and snow cores were taken from Chupa Bay and the Kandalaksha Gulf in the Cape Kartesh area in the spring of 2004 and from the mouth of the Severnaya Dvina River in the spring of 2005, 2006, and 2007. This paper presented data on the lipid content, aliphatic hydrocarbons (AHC), polycyclic aromatic hydrocarbons (PAH) and suspended particulate matter in snow, ice and under-ice water. This paper focused on organic compounds and suspended matter (SM) concentrations in the sea snow-ice cover and described the ice forming conditions and interactions of the substances with ice, snow and sub-ice water. The amount of particulate matter and organic compounds in the snow increased sharply near industrial centres. The concentration of compounds decreased further away from these centres, suggesting that most pollutants are deposited locally. The study revealed that organic compounds concentrate in barrier zones, such as snow-ice and water-ice, depending on the source of pollution. There was no obvious evidence of petrogenic sources of PAHs in particulate matter from the White Sea snow-ice cover. The SM and organic compounds accumulated in layers characterized by local depositional processes. The zones remained biogeochemically active even under low temperature conditions, but the accumulation of both SM and organic compounds was at its highest during the initial stage of ice formation. 16 refs., 2 tabs., 4 figs

Compound C prevents Hypoxia-Inducible Factor-1α protein stabilization by regulating the cellular oxygen availability via interaction with Mitochondrial Complex I

Directory of Open Access Journals (Sweden)

Hagen Thilo

2011-04-01

Full Text Available Abstract The transcription factor Hypoxia-Inducible Factor-1α is a master regulator of the cellular response to low oxygen concentration. Compound C, an inhibitor of AMP-activated kinase, has been reported to inhibit hypoxia dependent Hypoxia-Inducible Factor-1α activation via a mechanism that is independent of AMP-activated kinase but dependent on its interaction with the mitochondrial electron transport chain. The objective of this study is to characterize the interaction of Compound C with the mitochondrial electron transport chain and to determine the mechanism through which the drug influences the stability of the Hypoxia-Inducible Factor-1α protein. We found that Compound C functions as an inhibitor of complex I of the mitochondrial electron transport chain as demonstrated by its effect on mitochondrial respiration. It also prevents hypoxia-induced Hypoxia-Inducible Factor-1α stabilization in a dose dependent manner. In addition, Compound C does not have significant effects on reactive oxygen species production from complex I via both forward and reverse electron flux. This study provides evidence that similar to other mitochondrial electron transport chain inhibitors, Compound C regulates Hypoxia-Inducible Factor-1α stability by controlling the cellular oxygen concentration.

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.

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)....

Metal organic frameworks for removal of compounds from a fluid

KAUST Repository

Eddaoudi, Mohamed; Belmabkhout, Youssef

2016-01-01

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.

Inventory of volatile organic compound emissions in Finland, 1985

International Nuclear Information System (INIS)

Mroueh, U.M.

1988-01-01

The aim of the study was to compile an inventory of the emissions of volatile organic compounds in Finland for the year 1985. The report was prepared for the ECE Task Force on Emissions of Volatile Organic Compounds from Stationary Sources according to the classification given by the Task Force. It considers anthropogenic as well as natural sources. Mobile sources are excluded. The quantities as well as the main components are listed, as far as possible. The values given exclude methane which according to the present understanding is regarded as unreactive

Semivolatile organic compounds in indoor environments

DEFF Research Database (Denmark)

Weschler, Charles J.; Nazaroff, W.W.

2008-01-01

Semivolatile organic compounds (SVOCs) are ubiquitous in indoor environments, redistributing from their original sources to all indoor surfaces. Exposures resulting from their indoor presence contribute to detectable body burdens of diverse SVOCs, including pesticides, plasticizers, and flame ret...... remarkably well with levels measured in dermal hand wipes for SVOCs possessing a wide range of octanol-air partition coefficients....

Trichomes of tobacco excrete zinc as zinc-substituted calcium carbonate and other zinc-containing compounds

International Nuclear Information System (INIS)

Sarret, G.; Harada, E.; Choi, Y-E.; Isaure, M.-P.; Geoffroy, N.; Fakra, S.; Marcus, M.A.; Birschwilks, M.; Clemens, S.; Manceau, A.

2006-01-01

Tobacco (Nicotiana tabacum L. cv Xanthi) plants were exposed to toxic levels of zinc (Zn). Zn exposure resulted in toxicity signs in plants, and these damages were partly reduced by a calcium (Ca) supplement. Confocal imaging of intracellular Zn using Zinquin showed that Zn was preferentially accumulated in trichomes. Exposure to Zn and Zn + Ca increased the trichome density and induced the production of Ca/Zn mineral grains on the head cells of trichomes. These grains were aggregates of submicrometer-sized crystals and poorly crystalline material and contained Ca as major element, along with subordinate amounts of Zn, manganese, potassium, chlorine, phosphorus, silicon, and magnesium. Micro x-ray diffraction revealed that the large majority of the grains were composed essentially of metal-substituted calcite (CaCO3). CaCO3 polymorphs (aragonite and vaterite) and CaC2O4 (Ca oxalate) mono- and dihydrate also were identified, either as an admixture to calcite or in separate grains. Some grains did not diffract, although they contained Ca, suggesting the presence of amorphous form of Ca. The presence of Zn-substituted calcite was confirmed by Zn K-edge micro-extended x-ray absorption fine structure spectroscopy. Zn bound to organic compounds and Zn-containing silica and phosphate were also identified by this technique. The proportion of Zn-substituted calcite relative to the other species increased with Ca exposure. The production of Zn-containing biogenic calcite and other Zn compounds through the trichomes is a novel mechanism involved in Zn detoxification. This study illustrates the potential of laterally resolved x-ray synchrotron radiation techniques to study biomineralization and metal homeostasis processes in plants

Synthesis and Antibacterial Evaluation of Novel Heterocyclic Compounds Containing a Sulfonamido Moiety

Directory of Open Access Journals (Sweden)

Eman A. El-Bordany

2013-01-01

Full Text Available Aiming for the synthesis of new heterocyclic compounds containing a sulfonamido moiety suitable for use as antibacterial agents, the precursor ethyl {[4-N-(4,6-dimethylpyrimidin-2-ylsulfamoyl]phenylazo}cyanoacetate was reacted with a variety of active methylene compounds producing pyran, pyridine and pyridazine derivatives. Also, the reactivity of the precursor hydrazone towards hydrazine derivatives to give pyrazole and oxazole derivatives was studied. On the other hand, treatment of the same precursor with urea, thiourea and/or guanidine hydrochloride furnished pyrimidine and thiazine derivatives, respectively. The newly synthesized compounds were tested for antibacterial activity, whereby eight compounds were found to have high activities.

Leaf, branch, stand and landscape scale measurements of volatile organic compound fluxes from U. S. woodlands

Energy Technology Data Exchange (ETDEWEB)

Guenther, A.; Greenberg, J.; Harley, P.; Helmig, D.; Klinger, L.; Vierling, L.; Zimmerman, P. [National Center for Atmospheric Research, Boulder, CO (United States). Atmospheric Chemistry Div.; Geron, C. [Environmental Protection Agency, Research Triangle Park, NC (United States)

1996-01-01

Natural volatile organic compound (VOC) fluxes were measured in three U.S. woodlands. Fluxes from individual leaves and branches were estimated with enclosure techniques and used to initialize and evaluate VOC emission model estimates. Ambient measurements were used to estimate above canopy fluxes for entire stands. A total of 78 VOCs were identified, with hexenol derivatives being the most commonly observed oxygenated compounds. There was also evidence of high rates of isoprene emission and high rates of monoterpenes in some genera of trees. Model predictions of diurnal variations were within + or - 35 per cent of observed flux variations. Fluxes predicted by a recent version of a biogenic emission model were within 10 per cent to 50 per cent of observed fluxes, leading to the conclusion that existing databases can provide isoprene and monoterpene emission rate potentials within acceptable limits for the dominant plant species at these three woodland sites. 21 refs., 5 tabs., 2 figs.

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

Formation mechanisms of trichloromethyl-containing compounds in the terrestrial environment

DEFF Research Database (Denmark)

Breider, Florian; Albers, Christian Nyrop

2015-01-01

Natural trichloromethyl compounds present in the terrestrial environment are important contributors to chlorine in the lower atmosphere and may be also a cause for concern when high concentrations are detected in soils and groundwater. During the last decade our knowledge of the mechanisms involved...... of trichloromethyl compounds and then to compare these mechanisms with the much more comprehensive literature on the reactions occurring during chemical chlorination of organic material. It turns out that the reaction mechanisms during chemical chlorination are likely to be similar to those occurring naturally...

Prediction of Partition Coefficients of Organic Compounds for SPME/PDMS

OpenAIRE

Liao Hsuan-Yu; Huang Miao-Ling; Lu Yu-Ting; Chao Keh-Ping

2016-01-01

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 ...

Removal of organic compounds from shale gas flowback water

NARCIS (Netherlands)

Butkovskyi, Andrii; Faber, Ann-Hélène; Wang, Yue; Grolle, Katja; Hofman-Caris, Roberta; Bruning, Harry; Van Wezel, Annemarie P.; Rijnaarts, Huub H M

2018-01-01

Ozonation, sorption to granular activated carbon and aerobic degradation were compared as potential treatment methods for removal of dissolved organic carbon (DOC) fractions and selected organic compounds from shale gas flowback water after pre-treatment in dissolved air flotation unit. Flowback

Antibacterial and antifungal activity of sulfur-containing compounds from Petiveria alliacea L.

Science.gov (United States)

Kim, Seokwon; Kubec, Roman; Musah, Rabi A

2006-03-08

A total of 18 organosulfur compounds originating from Petiveria alliacea L. roots have been tested for their antibacterial and antifungal activities. These represent compounds occurring in fresh homogenates as well as those present in various macerates, extracts and other preparations made from Petiveria alliacea. Of the compounds assayed, the thiosulfinates, trisulfides and benzylsulfinic acid were observed to be the most active, with the benzyl-containing thiosulfinates exhibiting the broadest spectrum of antimicrobial activity. The effect of plant sample preparation conditions on the antimicrobial activity of the extract is discussed.

an improved solution of first order kinetics for biochemical oxygen ...

African Journals Online (AJOL)

DELL

Accuracies of these methods were evaluated using relative error, Akaike ... Keywords: Wastewater, Environmental Engineering, Biochemical Oxygen Demand Kinetic Parameters,. Statistical ... evaluating organic pollution level and quality of wastewaters. ... compounds ...... method can be applied on electronic devices, and.

Mixing ratios and eddy covariance flux measurements of volatile organic compounds from an urban canopy (Manchester, UK

Directory of Open Access Journals (Sweden)

B. Langford

2009-03-01

Full Text Available Mixing ratios and fluxes of six selected volatile organic compounds (VOCs were measured above the city of Manchester (UK during the summer of 2006. A proton transfer reaction-mass spectrometer was used for the measurement of mixing ratios, and fluxes were calculated from these using both the disjunct and the virtual disjunct eddy covariance techniques. The two flux systems, which operated in alternate half hours, showed good agreement, with R² values ranging between 0.74 and 0.9 for the individual analytes. On average, fluxes measured in the disjunct mode were approximately 20% lower than those measured in the virtual mode. This difference is due to both the dampening of the VOC signal by the disjunct flux sampler and carry over from one sample to the next. Correcting for these effects reduced the difference to less than 7%. Observed fluxes are thought to be largely controlled by anthropogenic sources, with vehicle emissions the major contributor. However, both evaporative and biogenic emissions may account for some of the VOCs present. Concentrations and fluxes of the oxygenated compounds were highest on average, ranging between 0.15 to 1 mg m⁻² h⁻¹; the fluxes of aromatic compounds were lower, between 0.12 to 0.28 mg m⁻² h⁻¹. The observed fluxes were up-scaled to give city wide emission estimates for each compound and the results compared to estimates made by the National Atmospheric Emission Inventory (NAEI for the same flux footprint. Fluxes of toluene and benzene compared most closely differing by approximately 50%, while in contrast the oxygenated fluxes were found to be between 3.6–6.3 times larger than the annual average predicted by the NAEI.

Production of fungal volatile organic compounds in bedding materials

Directory of Open Access Journals (Sweden)

S. LAPPALAINEN

2008-12-01

Full Text Available The high relative humidity of the air and many potential growth media, such as bedding materials, hay and grains in the horse stable, for example, provide suitable conditions for fungal growth. Metabolic activity of four common agricultural fungi incubated in peat and wood shavings at 25°C and 4°C was characterized in this study using previously specified volatile metabolites of micro-organisms and CO 2 production as indicators. The volatile organic compounds were collected into Tenax resin and analysed by gas chromatography. Several microbial volatile organic compounds (MVOCs, e.g. 1-butanol, 2-hexanone, 2-heptanone, 3-octanone, 1-octen-3-ol and 1-octanol were detected in laboratory experiments; however, these accounted for only 0.08-1.5% of total volatile organic com-pounds (TVOCs. Emission rates of MVOCs were 0.001-0.176 mg/kg of bedding materials per hour. Despite some limitations of the analytical method, certain individual MVOCs, 2-hexanone, 2-hep-tanone and 3-octanone, were also detected in concentrations of less than 4.6 mg/m 3 (0.07-0.31% of TVOC in a horse stable where peat and shavings were used as bedding materials. MVOC emission rate was estimated to be 0.2-2.0 mg/kg ´ h -1 from bedding materials in the stable, being about ten times higher than the rates found in the laboratory experiments. Some compounds, e.g. 3-octanone and 1-octen-3-ol, can be assumed to originate mainly from microbial metabolisms.;

Solubility of corrosion products of plain steel in oxygen-containing water solutions at high parameters

International Nuclear Information System (INIS)

Martynova, O.I.; Samojlov, Yu.F.; Petrova, T.I.; Kharitonova, N.L.

1983-01-01

Technique for calculation of solubility of iron corrosion products in oxygen-containing aqueous solutions in the 298-573 K temperature range is presented. Solubility of corrosion products of plain steel in deeply-desalinizated water in the presence of oxygen for the such range of the temperatures is experimentally determined. Rather good convergence between calculated and experimental data is noted

Performance of metal compound on thermolysis and electrolysis on sugar industries waste water treatment: COD and color removal with sludge analysis (batch-experiment)

Science.gov (United States)

Sahu, Omprakash

2017-10-01

The sugar cane industry is one of the most water demanding industries. Sugar industries consume and generate excess amount of water. The generated water contains organic compounds, which would cause pollution. The aim of this research work is to study the effectiveness of metal compound for treatment of sugar industry waste water by thermolysis and electrolysis process. The result shows ferrous metal catalyst shows 80 and 85 % chemical oxygen demand and color removal at pH 6, optimum mass loading 4 kg/m3, treatment temperature 85 °C and treatment time 9 h. When ferrous material was used as electrode, maximum 81 % chemical oxygen demand and 84 % color removal at pH 6, current density 156 Am-2, treatment time 120 min and anode consumption 0.7 g for 1.5 L wastewater were obtained.

Effect of Lignocellulose Related Compounds on Microalgae Growth and Product Biosynthesis: A Review

Directory of Open Access Journals (Sweden)

Krystian Miazek

2014-07-01

Full Text Available Microalgae contain valuable compounds that can be harnessed for industrial applications. Lignocellulose biomass is a plant material containing in abundance organic substances such as carbohydrates, phenolics, organic acids and other secondary compounds. As growth of microalgae on organic substances was confirmed during heterotrophic and mixotrophic cultivation, lignocellulose derived compounds can become a feedstock to cultivate microalgae and produce target compounds. In this review, different treatment methods to hydrolyse lignocellulose into organic substrates are presented first. Secondly, the effect of lignocellulosic hydrolysates, organic substances typically present in lignocellulosic hydrolysates, as well as minor co-products, on growth and accumulation of target compounds in microalgae cultures is described. Finally, the possibilities of using lignocellulose hydrolysates as a common feedstock for microalgae cultures are evaluated.

Evaluation of soluble organic compounds generated by radiological degradation of asphalt

International Nuclear Information System (INIS)

Fukumoto, M.; Nishikawa, Y.; Kagawa, A.; Kawamura, K.

2000-12-01

The soluble organic compounds generated by radiological degradation of asphalt (γ ray) were confirmed as a part of influence of the bituminized waste degradation in the TRU waste repository. Especially, the influence of the nitrate was focused on. As a result, the concentration of the soluble organic compounds generated by radiological degradation of asphalt (10 MGy, γ ray which is correspond to absorbed dose of asphalt for 1,000,000 years) were lower (each formic acid: about 50 mg/dm 3 , acetic acid: about 30 mg/dm 3 and oxalic acid: about 2 mg/dm 3 ) than that of the formic acid, the acetic acid and the oxalic acid which Valcke et al. had shown (the influence of the organic at the solubility examination which uses Pu and Am). Moreover, the change in the concentration of TOC and the soluble organic compounds (formic acid, acetic acid and oxalic acid) is little under the existence of nitrate ion. That is, the formic acid and acetic acid which can be organic ligands were generated little by oxidative decomposition of asphalt in the process that nitrate ion becomes nitride ion by radiation. The influence of the soluble organic compounds by the radiological degradation of the asphalt (γ ray) on adsorption and solubility by the complexation of radionuclides in the performance assessment can be limited. (author)

Characterization of organic compounds in biochars derived from municipal solid waste.

Science.gov (United States)

Taherymoosavi, Sarasadat; Verheyen, Vince; Munroe, Paul; Joseph, Stephen; Reynolds, Alicia

2017-09-01

Municipal solid waste (MSW) generation has been growing in many countries, which has led to numerous environmental problems. Converting MSW into a valuable biochar-based by-product can manage waste and, possibly, improve soil fertility, depending on the soil properties. In this study, MSW-based biochars, collected from domestic waste materials and kerbsides in two Sydney's regions, were composted and pyrolysed at 450°C, 550°C and 650°C. The characteristics of the organic components and their interactions with mineral phases were investigated using a range of analytical techniques, with special attention given to polycyclic aromatic hydrocarbons and heavy metal concentrations. The MSW biochar prepared at 450°C contained the most complex organic compounds. The highest concentration of fixed C, indicating the stability of biochar, was detected in the high-temperature-biochar. Microscopic analysis showed development of pores and migration of mineral phases, mainly Ca/P/O-rich phases, into the micro-pores and Si/Al/O-rich phases on the surface of the biochar in the MSW biochar produced at 550°C. Amalgamation of organic phases with mineral compounds was observed, at higher pyrolysis temperatures, indicating chemical reactions between these two phases at 650°C. XPS analysis showed the main changes occurred in C and N bonds. During heat treatment, N-C/C=N functionalities decomposed and oxidized N configurations, mainly pyridine-N-oxide groups, were formed. The majority of the dissolved organic carbon fraction in both MSW biochar produced at 450°C and 550°C was in the form of building blocks, whereas LMW acids was the main fraction in high-temperature-biochar (59.9%). Copyright © 2017 Elsevier Ltd. All rights reserved.