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Sample records for acetone benzene toluene

  1. [Toluene, Benzene and Acetone Adsorption by Activated Carbon Coated with PDMS].

    PubMed

    Liu, Han-bing; Jiang, Xin; Wang, Xin; Yang, Bing; Xue, Nan-dong; Zhang, Shi-lei

    2016-04-15

    To improve the adsorption selectivity of volatile organic compounds ( VOCs) , activated carbon ( AC) was modified by polydimethylsiloxane (PDMS) and characterized by BET analysis and Boehm titration. Dynamic adsorption column experiments were conducted and Yoon-Neslon(Y-N) model was used to identify adsorption effect for toluene, beuzene and acetone on AC when relative humidity was 0%, 50% and 90%, respectively. The results showed that the BET area, micropore volume and surface functional groups decreased with the PDMS modification, and surface hydrophobicity of the modified AC was enhanced leading to a lower water adsorption capacity. The results of dynamic adsorption showed that the adsorption kinetics and capacity of Bare-AC decreased with the increase of relative humidity, and the adsorption capacities of PDMS coated AC were 1.86 times (toluene) and 1.92 times (benzene) higher than those of Bare-AC, while a significant improvement of adsorption capacity for acetone was not observed. These findings suggest that polarity of molecule can be an important influencing factor for adsorption on hydrophobic surface developed by PDMS.

  2. Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride.

    PubMed

    Guevara-Carrion, Gabriela; Janzen, Tatjana; Muñoz-Muñoz, Y Mauricio; Vrabec, Jadran

    2016-03-28

    Mutual diffusion coefficients of all 20 binary liquid mixtures that can be formed out of methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride without a miscibility gap are studied at ambient conditions of temperature and pressure in the entire composition range. The considered mixtures show a varying mixing behavior from almost ideal to strongly non-ideal. Predictive molecular dynamics simulations employing the Green-Kubo formalism are carried out. Radial distribution functions are analyzed to gain an understanding of the liquid structure influencing the diffusion processes. It is shown that cluster formation in mixtures containing one alcoholic component has a significant impact on the diffusion process. The estimation of the thermodynamic factor from experimental vapor-liquid equilibrium data is investigated, considering three excess Gibbs energy models, i.e., Wilson, NRTL, and UNIQUAC. It is found that the Wilson model yields the thermodynamic factor that best suits the simulation results for the prediction of the Fick diffusion coefficient. Four semi-empirical methods for the prediction of the self-diffusion coefficients and nine predictive equations for the Fick diffusion coefficient are assessed and it is found that methods based on local composition models are more reliable. Finally, the shear viscosity and thermal conductivity are predicted and in most cases favorably compared with experimental literature values.

  3. Reduction of benzene toxicity by toluene

    SciTech Connect

    Plappert, U.; Barthel, E.; Seidel, H.J.

    1994-12-31

    BDF{sub 1} mice were exposed in inhalation chambers to benzene (900 ppm, 300 ppm) and/or toluene (500 ppm, 250 ppm) 6 hr per day, 5 days per week, for up to 8 weeks. Benzene alone induced a slight anemia after 4 and 8 weeks and a reduction of BFU-E and CFU-E numbers in the marrow. The coexposure to toluene reduced the degree of anemia. These results confirm previous studies where toluene was found to reduce benzene toxicity. This protective effect was most pronounced when DNA damage was studied in peripheral blood cells, bone marrow, and liver using the single cell gel (SCG) assay. With benzene alone, either with 300 or 900 ppm, a significant increase in DNA damage was detected in cells sampled from all three organs. Toluene alone did not induce a significant increase in DNA damage. The coexposure of benzene and toluene reduced the extent of DNA damage to about 50% of benzene alone. This result is considered a clear indication for a protective effect of toluene on the genetic toxicity of benzene. 18 refs., 7 figs., 3 tabs.

  4. Oxidation Mechanisms of Toluene and Benzene

    NASA Technical Reports Server (NTRS)

    Bittker, David A.

    1995-01-01

    An expanded and improved version of a previously published benzene oxidation mechanism is presented and shown to model published experimental data fairly successfully. This benzene submodel is coupled to a modified version of a toluene oxidation submodel from the recent literature. This complete mechanism is shown to successfully model published experimental toluene oxidation data for a highly mixed flow reactor and for higher temperature ignition delay times in a shock tube. A comprehensive sensitivity analysis showing the most important reactions is presented for both the benzene and toluene reacting systems. The NASA Lewis toluene mechanism's modeling capability is found to be equivalent to that of the previously published mechanism which contains a somewhat different benzene submodel.

  5. The pyrolysis of toluene and ethyl benzene

    NASA Technical Reports Server (NTRS)

    Sokolovskaya, V. G.; Samgin, V. F.; Kalinenko, R. A.; Nametkin, N. S.

    1987-01-01

    The pyrolysis of toluene at 850 to 950 C gave mainly H2, CH4, and benzene; PhEt at 650 to 750 C gave mainly H2, CH4, styrene, benzene, and toluene. The rate constants for PhEt pyrolysis were 1000 times higher than those for toluene pyrolysis; the chain initiation rate constants differed by the same factor. The activation energy differences were 46 kJ/mole for the total reaction and 54 kJ/mole for chain initiation. The chain length was evaluated for the PhEt case (10 + or - 2).

  6. Excited state of protonated benzene and toluene

    SciTech Connect

    Esteves-López, Natalia; Dedonder-Lardeux, Claude; Jouvet, Christophe

    2015-08-21

    We present photo-fragmentation electronic spectra of the simplest protonated aromatic molecules, protonated benzene and toluene, recorded under medium resolution conditions and compared with the photo-fragmentation spectrum of protonated pyridine. Despite the resolution and cold temperature achieved in the experiment, the electronic spectra of protonated benzene and toluene are structure-less, thus intrinsically broadened. This is in agreement with the large geometrical changes and the fast dynamic toward internal conversion predicted by ab initio calculations for protonated benzene [Rode et al., J. Phys. Chem. A 113, 5865–5873 (2009)].

  7. The thermal conductivity of benzene and toluene

    NASA Astrophysics Data System (ADS)

    Ramires, M. L. V.; Vieira Dos Santos, F. J.; Mardolcar, U. V.; de Castro, C. A. Nieto

    1989-09-01

    The thermal conductivity of liquid toluene and benzene was measured in the temperature range 298 to 370 K, near the saturation line, using an absolute transient hot-wire technique. The measurements were made in a modified version of an existing instrument, equipped with a new automatic Wheatstone bridge, computer controlled. The bridge measures the time that the resistance of a 7- μm-diameter platinum wire takes to reach predetermined values, programmed by the computer. The computer can generate up to 1024 analog voltages, via a 12-bit D/A converter. The accuracy of the measurements with this new arrangement was assessed by measuring the thermal conductivity of a primary standard, toluene, at several temperatures and was found to be of the order of 0.3%. Benzene was chosen because it is under study as a possible secondary standard for liquid thermal conductivity by the Subcommittee on Transport Properties of IUPAC.

  8. Detailed mechanism of toluene oxidation and comparison with benzene

    NASA Technical Reports Server (NTRS)

    Bittker, David A.

    1988-01-01

    A detailed mechanism for the oxidation of toluene in both argon and nitrogen dilutents is presented. The mechanism was used to compute experimentally ignition delay times for shock-heated toluene-oxygen-argon mixtures with resonably good success over a wide range of initial temperatures and pressures. Attempts to compute experimentally measured concentration profiles for toluene oxidation in a turbulent reactor were partially successful. An extensive sensitivity analysis was performed to determine the reactions which control the ignition process and the rates of formation and destruction of various species. The most important step was found to be the reaction of toluene with molecular oxygen, followed by the reactions of hydroperoxyl and atomic oxygen with benzyl radicals. These findings contrast with the benzene oxidation, where the benzene-molecular oxygen reaction is quite unimportant and the reaction of phenyl with molecular oxygen dominates. In the toluene mechanism the corresponding reaction of benzyl radicals with oxygen is unimportant. Two reactions which are important in the oxidation of benzene also influence the oxidation of toluene for several conditions. These are the oxidations of phenyl and cyclopentadienyl radicals by molecular oxygen. The mechanism presented successfully computes the decrease of toluene concentration with time in the nitrogen diluted turbulent reactor. This fact, in addition to the good prediction of ignition delay times, shows that this mechanism can be used for modeling the ignition and combustion process in practical, well-mixed combustion systems.

  9. Instrument for benzene and toluene emission measurements of glycol regenerators

    NASA Astrophysics Data System (ADS)

    Hanyecz, Veronika; Mohácsi, Árpád; Puskás, Sándor; Vágó, Árpád; Szabó, Gábor

    2013-11-01

    We introduce an in-field and in-explosive atmosphere useable instrument, which can measure the benzene and toluene concentration in two gas and two glycol samples produced by natural gas dehydration units. It is a two-phase, on-line gas chromatograph with a photoacoustic spectroscopy based detector. The time resolution is 10 min per cycle and the minimum detectable concentrations are 2 mg m-3 for benzene, 3 mg m-3 for toluene in natural gas, and 5 g m-3 for benzene and 6 g m-3 for toluene in glycol. Test measurements were carried out at a dehydration plant belonging to MOL Hungarian Oil and Gas Company. Benzene and toluene emissions of gas dehydration unit are calculated from the measured values based on mass balance of a glycol regenerator. The relationship between the outdoor temperature and the measured concentration was observed which is caused by temperature-dependent operation of the whole dehydration unit. Emission decreases with increase of outdoor temperature.

  10. Uptake and transformation of benzene and toluene by plant leaves.

    PubMed

    Ugrekhelidze, D; Korte, F; Kvesitadze, G

    1997-06-01

    The [1-6(14)C]benzene and [1-(14)C]toluene vapors penetrate into hypostomatous leaves of Acer campestre, Malus domestica, and Vitis vinifera from both sides, whereas hydrocarbons are more intensively absorbed by the stomatiferous side and more actively taken up by young leaves. Benzene and toluene conversion in leaves occurs with the aromatic ring cleavage and their carbon atoms are mainly incorporated into nonvolatile organic acids, while their incorporation into amino acids is less intensive. Intact spinach chloroplasts oxidize benzene, and this process is strongly stimulated in light. Oxidation of benzene by spinach chloroplasts or by enzyme preparation from spinach leaves is almost completely inhibited by 8-oxyquinoline or sodium diethyldithiocarbamate, and slightly affected by alpha, alpha'-dipyridyl. Benzene oxidation by enzyme preparation is significantly stimulated by NADH and NADPH; in their presence, the benzene hydroxylation product, phenol, is formed in a determinable amount. It is supposed that the enzyme performing the first step of oxidative transformation of benzene in plant leaves contains copper as the prosthetic group.

  11. Cation transport in gaseous, critical, and liquid benzene and toluene

    NASA Astrophysics Data System (ADS)

    Huang, Sam S.-S.; Freeman, Gordon R.

    1980-02-01

    The mobilities μ+ of cations in the fluids of benzene and toluene are 200-3000 fold lower than those of electrons. However, the variations of the cation mobilities with density and temperature are qualitatively similar to those of electrons, to an unexpected degree. In the liquid phase under its vapor pressure at T/Tc<0.8 the cation mobility in benzene obeys Walden's rule (μ+∝η-x, x=1.0), but in toluene it does not (x=1.1). The ratio of the diffusion coefficients (cation/solvent molecule) is equal to about 0.25 in toluene and 0.50 in benzene. Near the critical point there is a slight maximum in μ+. The maximum is more marked in the density normalized mobility μ+n; it occurs at n/nc=2.0 in benzene and 1.6 in toluene. The mobilities in the critical fluids are 2.76×10-3 and 2.50×10-3 cm2/V s in benzene and toluene, respectively. In the low density gases the ion scattering cross sections, taken to have the form σv=Aα v-α, display α=1.4 for benzene and 1.5 for toluene. The cross sections, appropriately averaged over the Maxwellian distribution of velocities, have magnitudes similar to those expected from scattering by the r-4 polarization potential, but have a greater than expected value of α. The average ion scattering cross sections are about eightfold greater than the corresponding electron scattering cross sections. The value of μ+n in the coexistence vapor is 6.3×1018 molecule/cm V s in benzene up to n/nc=1.0, and is 6.0×1018 in toluene up to n/nc=0.15. At higher densities in the latter μ+n decreases gently, reaching (μ+n)min=4.4×1018 at n/nc=0.9. The temperature coefficient of μ+ at constant n increases with n up to nc, near the coexistence curve. The increased temperature coefficient is attributed to clustering, but the clusters are small.

  12. Sonochemical treatment of benzene/toluene contaminated wastewater

    SciTech Connect

    Thoma, G.; Gleason, M.; Popov, V.

    1998-12-31

    Studies of the destruction of benzene and toluene in water were undertaken using ultrasonic irradiation in a parallel place Near Field Acoustic Processor (NAP). This magnetostrictive system is capable of degrading both benzene and toluene in a continuous stirred tank reactor configuration. The reaction kinetics were characterized by first order rate constants for the disappearance of the parent compound; these ranged from 2.7 {times} 1{sup {minus}3} to 3.7 {times} 10{sup {minus}2} mm{sup {minus}1} over an applied power density range of 0.6 to 3.6 watt mL{sup {minus}1} and target concentration of approximately 25 to 900 {micro}M. The rate constant is shown to be inversely proportional to the target compound concentration, indicating higher order reaction kinetics. The conversion efficiency for the system was characterized through the G efficiency commonly used in radiation chemistry. The G efficiency ranged between 4 {times} 10{sup {minus}5} to 2.2 {times} 10{sup {minus}4} molecules destroyed per 100 eV of electrical energy drawn from the wall outlet. These values are comparable to those of other advanced oxidation processes. Suggestions are made regarding methods to improve this technology.

  13. Competitive Nitration of Benzene-Fluorobenzene and Benzene-Toluene Mixtures: Orientation and Reactivity Studies Using HPLC

    ERIC Educational Resources Information Center

    Blankespoor, Ronald L.; Hogendoorn, Stephanie; Pearson, Andrea

    2007-01-01

    The reactivity and orientation effects of a substituent are analyzed by using HPLC to determine the competitive nitration of the benzene-toluene and benzene-fluorobenzene mixtures. The results have shown that HPLC is an excellent instrumental method to use in analyzing these mixtures.

  14. Benzene and toluene biodegradation down gradient of a zero-valent iron permeable reactive barrier.

    PubMed

    Chen, Liang; Liu, Fei; Liu, Yulong; Dong, Hongzhong; Colberg, Patricia J S

    2011-04-15

    This study simulated benzene and toluene biodegradation down gradient of a zero-valent iron permeable reactive barrier (ZVI PRB) that reduces trichloroethylene (TCE). The effects of elevated pH (10.5) and the presence of a common TCE dechlorination by product [cis-1,2-dichloroethene (cis-1,2-DCE)] on benzene and toluene biodegradation were evaluated in batch experiments. The data suggest that alkaline pH (pH 10.5), often observed down gradient of ZVI PRBs, inhibits Fe(III)-mediated biotransformation of both benzene and toluene. Removal was reduced by 43% for benzene and 26% for toluene as compared to the controls. The effect of the addition of cis-1,2-DCE on benzene and toluene biodegradation was positive and resulted in removal that was greater than or equal to the controls. These results suggest that, at least for cis-1,2-DCE, its formation may not be toxic to iron-reducing benzene and toluene degrading bacteria; however, for microbial benzene and toluene removal down gradient of a ZVI PRB, it may be necessary to provide pH control, especially in the case of a biological PRB that is downstream from a ZVI PRB.

  15. Quantitative analysis of trace-level benzene, toluene, ethylbenzene, and xylene in cellulose acetate tow using headspace heart-cutting multidimensional gas chromatography with mass spectrometry.

    PubMed

    Ji, Xiaorong; Zhang, Jing; Guo, Yinlong

    2016-06-01

    This study describes a method for the quantification of trace-level benzene, toluene, ethylbenzene, and xylene in cellulose acetate tow by heart-cutting multidimensional gas chromatography with mass spectrometry in selected ion monitoring mode. As the major volatile component in cellulose acetate tow samples, acetone would be overloaded when attempting to perform a high-resolution separation to analyze trace benzene, toluene, ethylbenzene, and xylene. With heart-cutting technology, a larger volume injection was achieved and acetone was easily cut off by employing a capillary column with inner diameter of 0.32 mm in the primary gas chromatography. Only benzene, toluene, ethylbenzene, and xylene were directed to the secondary column to result in an effective separation. The matrix interference was minimized and the peak shapes were greatly improved. Finally, quantitative analysis of benzene, toluene, ethylbenzene, and xylene was performed using an isotopically labeled internal standard. The headspace multidimensional gas chromatography mass spectrometry system was proved to be a powerful tool for analyzing trace volatile organic compounds in complex samples.

  16. Benzene, toluene and C 2-benzene emissions of 4-stroke motorbikes: Benefits and risks of the current TWC technology

    NASA Astrophysics Data System (ADS)

    Saxer, Christian J.; Forss, Anna-Maria; Rüdy, Claudio; Heeb, Norbert V.

    Chemical ionization mass spectrometry has been applied to determine benzene, toluene and C 2-benzene emission rates of 4-stroke motorbikes. Extra emissions and duration of the cold start were deduced from the legislative urban driving cycle. The Common Artemis driving cycle was investigated to study the emission characteristics at transient driving from 0 to 135 km h -1. In addition, the benefits and risks of the currently available 3-way catalyst technology (TWC) are explored. Benzene, toluene and C 2-benzene cold start emissions of 230-290, 920-980 and 950-1270 mg start -1 were obtained for the TWC motorbikes, exceeding those without catalyst by more than a factor of 3. At hot engine/catalyst, benzene, toluene and C 2-benzene emission factors in the range of 10-140, 10-160 and 10-170 mg km -1 were found for the TWC motorbikes. Without catalyst, the corresponding emission factors were higher, varying from 40 to 260, 100 to 500 and 110 to 480 mg km -1, respectively. A comparison with the latest passenger car technology, with reported aromatic hydrocarbon (HC) emission factors of 0.2-3.0 mg km -1, revealed that the investigated 4-stroke motorbikes, indeed, are an important source of air pollution. Furthermore, cold start duration, driving distance under cold start influence and velocity dependence of aromatic HC emissions were deduced from time-resolved data. In addition, variations of aromatic HC mixing ratios were studied. Narrow and unimodal distributions of, e.g. benzene/C 2-benzene mixing ratios with median values of 0.46-0.73 were found for all motorbikes but one. This motorcycle, equipped with a TWC, showed a broad and bimodal distribution with a median mixing ratio of 1.47. Catalyst-induced formation of benzene from alkylbenzenes is the assumed process, leading to increased benzene/alkylbenzene mixing ratios.

  17. TCE degradation by toluene/benzene monooxygenase of Pseudomonas aeruginosa JI104 and Escherichia coli recombinant

    SciTech Connect

    Koizumi, Junichi; Kitayama, Atsushi

    1995-12-31

    Pseudomonas aeruginosa JI104 incorporates more than three degradation pathways for aromatic compounds such as benzene, toluene, and xylene. A dioxygenase and two monooxygenases were cloned in Escherichia coli XL1-Blue. The dioxygenase yielding cis-toluene dihydrodiol and one of the monooxygenases producing o-cresol from toluene did not exhibit conspicuous activity in trichloroethylene (TCE) oxygenation, although DNA sequencing proved that the former enzyme was an isozyme of toluene dioxygenase of the known TCE decomposer P.putida F1. The other toluene/benzene monooxygenase that could generate o-, m-, and p-cresol simultaneously from toluene showed TCE oxygenation activity resulting in TCE decomposition in E. coli. The activity was inhibited competitively by toluene, ethylbenzene, and o- and m-xylene: their inhibition constants were greater than those of propylbenzene and p-xylene. When the E. coli recombinant harboring the monooxygenase was induced by isopropyl {beta}-D-thiogalactopyranoside (IPTG) and incubated in the absence of toluene, TCE degradation activity decreased during incubation, compared to that with toluene. Toluene probably controlled the lifetime of the enzyme.

  18. Modulation of affinity of a marine pseudomonad for toluene and benzene by hydrocarbon exposure.

    PubMed

    Law, A T; Button, D K

    1986-03-01

    Trace (microgram liter) quantities of either toluene or benzene injected into an amino-acid-limited continuous culture of Pseudomonas sp. strain T2 were utilized immediately with affinities of 2.6 and 6.8 liters g of cells h, respectively, and yielded large amounts of organic products, carbon dioxide, and cells. The immediate utilization of hydrocarbons by hydrocarbon-deprived organisms helps to establish the nutritional value of nonpolar substrates in the environment. The observation of small Michaelis constants for toluene transport led to tests of metabolic competition between hydrocarbons; however, competitive inhibition of toluene metabolism was not found for benzene, naphthalene, xylene, dodecane, or amino acids. Benzene and terpenes were inhibitory at milligram liter concentrations. Toluene was metabolized by a strongly inducible system when compared with benzene. The capacity of toluene to effect larger affinity values increased with exposure time and concentration. The kinetics of induction suggested saturation phenomena, resulting in an induction constant, K(ind), of 96 mug of toluene liter. Maximal induction of amino-acid-grown cells required about 80 h, with the affinity reaching 317 liters g of cells h.

  19. Ignition delay times of benzene and toluene with oxygen in argon mixtures

    NASA Technical Reports Server (NTRS)

    Burcat, A.; Snyder, C.; Brabbs, T.

    1985-01-01

    The ignition delay times of benzene and toluene with oxygen diluted in argon were investigated over a wide range of conditions. For benzene the concentration ranges were 0.42 to 1.69 percent fuel and 3.78 to 20.3 percent oxygen. The temperature range was 1212 to 1748 K and the reflected shock pressures were 1.7 to 7.89 atm. Statistical evaluation of the benzene experiments provided an overall equation which is given. For toluene the concentration ranges were 0.5 to 1.5 percent fuel and 4.48 to 13.45 percent oxygen. The temperature range was 1339 to 1797 K and the reflected shock pressures were 1.95 to 8.85 atm. The overall ignition delay equation for toluene after a statistical evaluation is also given. Detailed experimental information is provided.

  20. Toluene and benzene inhalation influences on ventricular arrhythmias in the rat.

    PubMed

    Magos, G A; Lorenzana-Jiménez, M; Vidrio, H

    1990-01-01

    We have previously found that toluene did not share the capacity of benzene for increasing the arrhythmogenic action of epinephrine in the rat, but appeared to elicit the opposite effect. The present experiments were carried out to verify this observation in rats subjected to more severe ventricular arrhythmias. In animals previously inhaling either air, toluene or benzene and anesthetized with pentobarbital, arrhythmias were produced by coronary ligation or aconitine. In both models, toluene decreased and benzene increased the number of ectopic ventricular beats in the 30 min following induction of arrhythmia. Gas chromatographic measurement of toluene levels in the heart during and after inhalation revealed essentially constant concentrations at the time of arrhythmia evaluation, equivalent to approximately one-third the peak levels observed at the end of inhalation. Although the mechanism of the effect of toluene on arrhythmia could not be ascertained, nonspecific membrane stabilization or central serotonergic stimulation were considered as possible explanations. Since both mechanisms could be operant also in the case of benzene, the opposite effects of the solvents on arrhythmia could not be readily accounted for.

  1. Photoacoustic spectroscopy-based detector for measuring benzene and toluene concentration in gas and liquid samples

    NASA Astrophysics Data System (ADS)

    Hanyecz, Veronika; Mohácsi, Árpád; Puskás, Sándor; Vágó, Árpád; Szabó, Gábor

    2011-12-01

    Here we present a novel instrument for on-line, automatic measurement of benzene and toluene concentration in gas and liquid samples produced in the natural gas industry. Operation of the instrument is based on the collection of analytes on an adsorbent, separation using a chromatographic column and detection by near-infrared diode laser-based photoacoustic spectroscopy. Sample handling, measurement and data evaluation are carried out fully automatically, using an integrated, programmable electronic unit. The instrument was calibrated in the laboratory for natural gas, nitrogen and liquid glycol samples, and tested under field conditions at a natural gas dehydration unit of the MOL Hungarian Oil and Gas Company. Minimum detectable concentrations (3σm-1) were found to be 2.5 µg l-1 for benzene and 4 µg l-1 for toluene in gas samples, while 1.5 mg l-1 for benzene and 3 mg l-1 for toluene in liquid samples, which is suitable for measuring benzene and toluene concentration in natural gas and glycol samples occurring at natural gas dehydration plants.

  2. Low temperature oxidation of benzene and toluene in mixture with n-decane

    PubMed Central

    Herbinet, Olivier; Husson, Benoit; Ferrari, Maude; Glaude, Pierre-Alexandre; Battin-Leclerc, Frédérique

    2013-01-01

    The oxidation of two blends, benzene/n-decane and toluene/n-decane, was studied in a jet-stirred reactor with gas chromatography analysis (temperatures from 500 to 1100 K, atmospheric pressure, stoichiometric mixtures). The studied hydrocarbon mixtures contained 75% of aromatics in order to highlight the chemistry of the low-temperature oxidation of these two aromatic compounds which have a very low reactivity compared to large alkanes. The difference of behavior between the two aromatic reactants is highly pronounced concerning the formation of derived aromatic products below 800 K. In the case of benzene, only phenol could be quantified. In the case of toluene, significant amounts of benzaldehyde, benzene, and cresols were also formed, as well as several heavy aromatic products such as bibenzyl, phenylbenzylether, methylphenylbenzylether, and ethylphenylphenol. A comparison with results obtained with neat n-decane showed that the reactivity of the alkane is inhibited by the presence of benzene and, to a larger extent, toluene. An improved model for the oxidation of toluene was developed based on recent theoretical studies of the elementary steps involved in the low-temperature chemistry of this molecule. Simulations using this model were successfully compared with the obtained experimental results. PMID:23762017

  3. Biotransformation of benzene and toluene to catechols by phenol hydroxylase from Arthrobacter sp. W1.

    PubMed

    Ma, Fang; Shi, Sheng-Nan; Sun, Tie-Heng; Li, Ang; Zhou, Ji-Ti; Qu, Yuan-Yuan

    2013-06-01

    Phenol hydroxylase gene engineered microorganism (PHIND) was used to synthesize catechols from benzene and toluene by successive hydroxylation reaction. HPLC-MS and (1)H NMR analysis proved that the products of biotransformation were the corresponding catechols via the intermediate production of phenols. It was indicated that the main products of toluene oxidation were o-cresol and p-cresol. 3-Methylcatechol was the predominant product for m-cresol biotransformation. Formation rate of catechol (25 μM/min/g cell dry weight) was 1.43-fold higher than that of methylcatechols. It was suggested that phenol hydroxylase could be successfully used to transform both benzene and toluene to catechols by successive hydroxylation.

  4. Assessment of benzene and toluene emissions from automobile exhaust in Bangkok.

    PubMed

    Muttamara, S; Leong, S T; Lertvisansak, I

    1999-07-01

    The use of unleaded gasoline, together with an increase in the number of vehicles in Bangkok, has significantly influenced benzene and toluene concentrations in vehicular emissions and contributes to the air pollution problem. As a matter of practical necessity, a quick test program is done for the measurement of emission concentrations/rates for vehicles driven on the road. Exhaust emission measurement at idle mode was conducted in a fleet of 12 vehicles of different model years and manufacturers. The study revealed that the benzene and toluene concentrations in the exhaust effluent averaged 4.4-22.02 and 12.24-44.75 mg/m3, respectively for 1990-1992 cars and decreased to 0.76-4.14 and 0.89-6.26 mg/m3, respectively for 1994-1995 cars. In another study, exhaust emission measurement on a chassis dynamometer was carried out in a fleet of nine selected, in-use cars. It was observed that benzene and toluene emission rates were considerably higher-in the range of 70.84-85.82 and 354.15- 429.00 mg/km, respectively, for 1990-1991 model year cars. Lower benzene and toluene emission rates of 0.43-95.07 and 2. 15-475.35 mg/km, respectively, were represented by newer cars with model years 1994-1995. These results indicated that there was a significant increase in benzene and toluene emission concentrations and rates with increasing car mileage and model year. The finding also revealed that only 28% of the tested vehicles complied to the approved emission standard.

  5. Physiological and transcriptional responses of Nitrosomonas europaea to toluene and benzene inhibition.

    PubMed

    Radniecki, Tyler S; Dolan, Mark E; Semprini, Lewis

    2008-06-01

    Ammonia oxidizing bacteria (AOB) are inhibited by many compounds found in wastewater treatment plant (WWTP) influent, including aromatic hydrocarbons. The detection of "sentinel genes" to identify the presence of aromatic hydrocarbons could be useful to WWTP operators. In this study, the transcriptomic responses of Nitrosomonas europaea during the cometabolism of benzene to phenol and toluene to benzyl alcohol and benzaldehyde were evaluated using whole genome Affymetrix microarrays and qRT-PCR. Benzyl alcohol and benzaldehyde were found not to inhibit N. europaea. However, phenol concentrations as low as 5 microM directly inhibited ammonia oxidation. Surprisingly, there were no significant up- or down-regulation of genes in N. europaea cells exposed to 20 microM toluene, which caused 50% inhibition of ammonia oxidation. Exposing N. europaea to 40 microM benzene, which caused a similar degree of inhibition, resulted in the up-regulation of seven adjacent genes, including NE 1545 (a putative pirin protein) and NE 1546 (a putative membrane protein), that appear to be involved with fatty-acid metabolism, lipid biosynthesis, and membrane protein synthesis. qRT-PCR analysis revealed that NE 1545 and NE 1546 were significantly up-regulated upon exposure to benzene and phenol, but not upon exposure to toluene. Transmission electron microscope images revealed a shift in outer cell structure in response to benzene exposure.

  6. Benzene and toluene concentrations in a hemodialysis room in a medium sized South Korean city

    PubMed Central

    Kang, Moon-Soo; Hong, Joong-Rock; Yang, Jong-Oh; Lee, Eun-Young; Hong, Sae-Yong; Jun, Yong-Taek; Son, Bu-Soon

    2008-01-01

    Background/Aims The current study was designed to determine whether the indoor air pollution in a hemodialysis room (HD) was different from that of other comparable areas in a hospital. Methods Five air monitor samplers were hung on the ceiling and placed on the table in both the HD and general ward nursing stations, respectively. In addition, five samplers were placed in the nurse's breathing zone of the HD and the general ward, respectively. Ten air monitor samplers were also placed on the edge of the bed in the HD, which represented the patient's breathing zone. The levels of benzene and toluene were analyzed by GC/MS. Results In the general ward, the toluene concentration was significantly higher in the nurse breathing zone than that for the ceiling or table samples (p=0.001). The benzene concentration was also significantly higher in the general ward nurse breathing zone than that in the HD (p=0.006). In addition, the benzene concentrations on the table were higher at the general ward as compared to the HD (p=0.028), but there was no significant difference between the ceiling, general ward station and HD. Conclusions Both the benzene and toluene concentrations in the HD appear to be more affected by the outdoor atmospheric conditions than by any potential indoor internal sources. PMID:18787362

  7. Sorption equilibria of benzene and toluene on two New Jersey coastal plain ground water aquifer solids

    SciTech Connect

    Uchrin, C.G.; Mangels, G.

    1987-01-01

    Studies examining sorption equilibria of benzene and toluene to New Jersey coastal plain aquifer solids were performed. Adsorption to the Cohansey aquifer solids, a coarse to fine grade sand with a 2.6% organic carbon content, and to the Potomac-Raritan-Magothy aquifer solids, a sandy loam with a 1.3% organic carbon content, was found to be dependent on adsorber mass. Equilibrium adsorption could be characterized by either linear or Freundlich isotherms. Toluene exhibited a greater affinity to sorb than benzene. Greater adsorption was in general observed for both substances to the Cohansey material, which was attributed to its greater organic matter (carbon) content. Consecutive desorption experiments displayed an apparent hysteresis.

  8. Phytoremediation of benzene, toluene, ethylbenzene and xylene contaminated air by D. deremensis and O. microdasys plants

    PubMed Central

    2014-01-01

    Background People usually spent about 90% of their time indoors, which are probably more polluted than outside the buildings. High levels of volatile organic compounds (VOCs) are known as causes of sick building syndrome. The present study was designed to determine the quantitative effects of some plants to improve the quality of the environmental air. Results D. deremensis and O. microdasys were chosen for the present study. There is no report of using O. microdasys for cleaning the air from pollutants. So, in this study, the effectiveness of O. microdasys in air removing from pollutants was studied and compared with D. dermensis. O. microdasys plant can remove 2 ppm concentration benzene, toluene, xylene and ethylbenzene from air in test chambers completely after 48, 55, 47 and 57 hours, respectively. The removal rates of benzene, toluene, xylene and ethylbenzene (BTEX) from air in the test chambers were 1.18, 0.54, 1.64 and 1.35 mg/ m2d1, respectively. Conclusions If an office containing 2.5 ppm of each of BTEX and had an approximate volume of 30 m3, it contains 16, 8, 22 and 22 mg/m3 benzene, toluene, xylene and ethylbenzene, respectively. Using ten O. microdasys pots with the same size used in this study, can remove benzene, toluene, xylene and ethylbenzene totally after 36, 40, 30 and 39 hours. The authors recommended studying the efficiency of the plants for removal of BTEX from air at higher range of concentrations such as 20-30 ppm. PMID:24451679

  9. Simultaneous Determination of Benzene and Toluene in Pesticide Emulsifiable Concentrate by Headspace GC-MS

    PubMed Central

    Jiang, Hua; Yang, Jing; Fan, Li; Li, Fengmin; Huang, Qiliang

    2013-01-01

    The toxic inert ingredients in pesticide formulations are strictly regulated in many countries. In this paper, a simple and efficient headspace-gas chromatography-mass spectrometry (HSGC-MS) method using fluorobenzene as an internal standard (IS) for rapid simultaneous determination of benzene and toluene in pesticide emulsifiable concentrate (EC) was established. The headspace and GC-MS conditions were investigated and developed. A nonpolar fused silica Rtx-5 capillary column (30 m × 0.20 mm i.d. and 0.25 μm film thickness) with temperature programming was used. Under optimized headspace conditions, equilibration temperature of 120°C, equilibration time of 5 min, and sample size of 50 μL, the regression of the peak area ratios of benzene and toluene to IS on the concentrations of analytes fitted a linear relationship well at the concentration levels ranging from 3.2 g/L to 16.0 g/L. Standard additions of benzene and toluene to blank different matrix solutions 1ead to recoveries of 100.1%–109.5% with a relative standard deviation (RSD) of 0.3%–8.1%. The method presented here stands out as simple and easily applicable, which provides a way for the determination of toxic volatile adjuvant in liquid pesticide formulations. PMID:23607048

  10. Determination of Benzene, Toluene, and Xylene by means of an ion mobility spectrometer device using photoionization

    NASA Technical Reports Server (NTRS)

    Leonhardt, J. W.; Bensch, H.; Berger, D.; Nolting, M.; Baumbach, J. I.

    1995-01-01

    The continuous monitoring of changes on the quality of ambient air is a field of advantage of ion mobility spectrometry. Benzene, Toluene, and Xylene are substances of special interest because of their toxicity. We present an optimized drift tube for ion mobility spectrometers, which uses photo-ionization tubes to produce the ions to be analyzed. The actual version of this drift tube has a length of 45 mm, an electric field strength established within the drift tube of about 180 V/cm and a shutter-opening-time of 400 mus. With the hydrogen tube used for ionisation a mean flux of 10(exp 12) photons/sq cm s was established for the experiments described. We discuss the results of investigations on Benzene, Toluene, and Xylene in normal used gasoline SUPER. The detection limits obtained with the ion mobility spectrometer developed in co-operation are in the range of 10 ppbv in this case. Normally, charge transfer from Benzene ions to Toluene takes place. Nevertheless the simultaneous determination in mixtures is possible by a data evaluation procedure developed for this case. The interferences found between Xylene and others are rather weak. The ion mobility spectra of different concentrations of gasoline SUPER are attached as an example for the resolution and the detection limit of the instrument developed. Resolution and sensitivity of the system are well demonstrated. A hand-held portable device produced just now is to be tested for special environmental analytical problems in some industrial and scientific laboratories in Germany.

  11. Chemical kinetic modeling of benzene and toluene oxidation behind shock waves

    NASA Technical Reports Server (NTRS)

    Mclain, A. G.; Jachimowski, C. J.; Wilson, C. H.

    1979-01-01

    The oxidation of stoichiometric mixtures of benzene and toluene behind incident shock waves was studied for a temperature range from 1700 to 2800 K and a pressure range from 1.1 to 1.7 atm. The concentration of CO and CO2 produced were measured as well as the product of the oxygen atom and carbon monoxide concentrations. Comparisons between the benzene experimental data and results calculated by use of a reaction mechanism published in the open literature were carried out. With some additional reactions and changes in rate constants to reflect the pressure-temperature range of the experimental data, a good agreement was achieved between computed and experimental results. A reaction mechanism was developed for toluene oxidation based on analogous rate steps from the benzene mechanism. Measurements of NOx levels in an actual flame device, a jet-stirred combustor, were reproduced successfully by use of the reaction mechanism developed from the shock-tube experiments on toluene. These experimental measurements of NOx levels were reproduced from a computer simulation of a jet-stirred combustor.

  12. Flux measurements of benzene and toluene from landfill cover soils.

    PubMed

    Tassi, Franco; Montegrossi, Giordano; Vaselli, Orlando; Morandi, Andrea; Capecchiacci, Francesco; Nisi, Barbara

    2011-01-01

    Carbon dioxide and CH(4), C(6)H(6) and C(7)H(8) fluxes from the soil cover of Case Passerini landfill site (Florence, Italy) were measured using the accumulation and static closed chamber methods, respectively. Results show that the CH(4)/CO(2), CH(4)/C(6)H(6) and CH(4)/C(7)H(8) ratios of the flux values are relatively low when compared with those of the 'pristine' biogas produced by degradation processes acting on the solid waste material disposed in the landfill. This suggests that when biogas transits through the cover soil, CH(4) is affected by degradation processes activated by oxidizing bacteria at higher extent than both CO(2) and mono-aromatics. Among the investigated hydrocarbons, C(6)H(6) has shown the highest stability in a wide range of redox conditions. Toluene behaviour only partially resembles that of C(6)H(6), possibly because de-methylation processes require less energy than that necessary for the degradation of C(6)H(6), the latter likely occurring via benzoate at anaerobic conditions and/or through various aerobic metabolic pathways at relatively shallow depth in the cover soil where free oxygen is present. According to these considerations, aromatics are likely to play an important role in the environmental impact of biogas released into the atmosphere from such anthropogenic emission sites, usually only ascribed to CO(2) and CH(4). In this regard, flux measurements using accumulation and static closed chamber methods coupled with gas chromatography and gas chromatography-mass spectrometry analysis may properly be used to obtain a dataset for the estimation of the amount of volatile organic compounds dispersed from landfills.

  13. UV Fourier transform measurements of tropospheric O3, NO2, SO2, benzene, and toluene.

    PubMed

    Vandaele, A C; Tsouli, A; Carleer, M; Colin, R

    2002-01-01

    Using the differential optical absorption spectroscopy (DOAS) technique and a Fourier transform spectrometer, NO2, SO2, O3, benzene. and toluene were measured during three measurement campaigns held in Brussels in 1995, 1996, and 1997. The O3 concentrations could be explained as the results of the local photochemistry and the dynamical properties of the mixing layer. NO2 concentrations were anti-correlated to the O3 concentrations, as expected. SO2 also showed a pronounced dependence on car traffic. Average benzene and toluene concentrations were, respectively 1.7 ppb and between 4.4 and 6.6 pbb, but high values of toluene up to 98.8 ppb were observed. SO2 concentrations and to a lesser extent, those of NO2 and 03, were dependent on the wind direction. Ozone in Brussels has been found to be influenced by the meteorological conditions prevailing in central Europe. Comparisons with other measurements have shown that 03 and SO2 data are in general in good agreement, but our NO2 concentrations seem to be generally higher.

  14. Start-up, performance and optimization of a compost biofilter treating gas-phase mixture of benzene and toluene.

    PubMed

    Rene, Eldon R; Kar, Saurajyoti; Krishnan, Jagannathan; Pakshirajan, K; López, M Estefanía; Murthy, D V S; Swaminathan, T

    2015-08-01

    The performance of a compost biofilter inoculated with mixed microbial consortium was optimized for treating a gas-phase mixture of benzene and toluene. The biofilter was acclimated to these VOCs for a period of ∼18d. The effects of concentration and flow rate on the removal efficiency (RE) and elimination capacity (EC) were investigated by varying the inlet concentration of benzene (0.12-0.95g/m(3)), toluene (0.14-1.48g/m(3)) and gas-flow rate (0.024-0.072m(3)/h). At comparable loading rates, benzene removal in the mixture was reduced in the range of 6.6-41% in comparison with the individual benzene degradation. Toluene removal in mixture was even more affected as observed from the reductions in REs, ranging from 18.4% to 76%. The results were statistically interpreted by performing an analysis of variance (ANOVA) to elucidate the main and interaction effects.

  15. Carbon and hydrogen isotope fractionation of benzene and toluene during hydrophobic sorption in multistep batch experiments.

    PubMed

    Imfeld, G; Kopinke, F-D; Fischer, A; Richnow, H-H

    2014-07-01

    The application of compound-specific stable isotope analysis (CSIA) for evaluating degradation of organic pollutants in the field implies that other processes affecting pollutant concentration are minor with respect to isotope fractionation. Sorption is associated with minor isotope fractionation and pollutants may undergo successive sorption-desorption steps during their migration in aquifers. However, little is known about isotope fractionation of BTEX compounds after consecutive sorption steps. Here, we show that partitioning of benzene and toluene between water and organic sorbents (i.e. 1-octanol, dichloromethane, cyclohexane, hexanoic acid and Amberlite XAD-2) generally exhibits very small carbon and hydrogen isotope effects in multistep batch experiments. However, carbon and hydrogen isotope fractionation was observed for the benzene-octanol pair after several sorption steps (Δδ(13)C=1.6 ± 0.3‰ and Δδ(2)H=88 ± 3‰), yielding isotope fractionation factors of αC=1.0030 ± 0.0005 and αH=1.195 ± 0.026. Our results indicate that the cumulative effect of successive hydrophobic partitioning steps in an aquifer generally results in insignificant isotope fractionation for benzene and toluene. However, significant carbon and hydrogen isotope fractionation cannot be excluded for specific sorbate-sorbent pairs, such as sorbates with π-electrons and sorbents with OH-groups. Consequently, functional groups of sedimentary organic matter (SOM) may specifically interact with BTEX compounds migrating in an aquifer, thereby resulting in potentially relevant isotope fractionation.

  16. Velocity-dependent emission factors of benzene, toluene and C 2-benzenes of a passenger car equipped with and without a regulated 3-way catalyst

    NASA Astrophysics Data System (ADS)

    Heeb, Norbert V.; Forss, Anna-Maria; Bach, Christian; Mattrel, Peter

    Time-resolved chemical ionization mass spectrometry (CI-MS) has been used to investigate the velocity-dependent emission factors for benzene, toluene, the C 2-benzenes (xylenes and ethyl benzene) and nitrogen monoxide of a gasoline-driven passenger car (1.4 l, model year 1995) driven with or without catalytic exhaust gas treatment. A set of seven different driving cycles - including the European Driving Cycle (EDC), the US Urban (FTP 75) and the Highway driving cycles - with a total driving time of 12,000 s have been studied. From the obtained emission data, two sets of 15,300 and 17,200 data points which represent transient driving in the velocity range of 0-150 km h -1 and in an acceleration window of -2-3 m s -2 were explored to gain velocity-dependent emission factors. The passenger car, equipped with a regulated rhodium-platinum based three-way catalyst, showed optimal conversion efficiency (>95%) for benzene in the velocity range of 60-120 km h -1. The conversion of benzene was reduced (<80%) when driving below 50 km h -1 and the BTXE emissions significantly increased when driven at higher speed and engine load (>130 km h -1). Whereas the conversion efficiency for the class of C 2-benzenes was reduced to 10%, no net conversion could be found for toluene and benzene when driven above 130 km h -1. In contrast, the benzene and toluene emissions exceeded those of the untreated exhaust gas in the velocity range of 130-150 km h -1 by 50-92% and by 10-34%, respectively. Thus, benzene and toluene were formed across the examined three-way catalyst if the engine is operated for an extended time in a fuel-rich mode (lambda<1).

  17. Acute toxicity of toluene, hexane, xylene, and benzene to the rotifers Brachionus calyciflorus and Brachionus plicatilis

    SciTech Connect

    Ferrando, M.D.; Andreu-Moliner, E. )

    1992-08-01

    A large number of studies on the biological effects of oil pollution in the aquatic environment deal with the effects of whole crude or refined oils or their water-soluble fractions. However, low boiling, aromatic hydrocarbons, which are probably the most toxic constituents of oil, have until now not been examined in sufficient detail. Toluene, benzene and xylene, constitute a major component of various oils. They may be readily lost by weathering but are toxic in waters that are relatively stagnant and are chronically polluted. Korn et al. have stated that toluene is more toxic than many other hydrocarbons such as benzene, though the latter are more water-soluble. Report of the effects of exposure to organic solvents like hexane or toluene are still limited although organic solvents are a well-known group of neurointoxicants. Various benzene derivates continue to be used as chemical intermediates, solvents, pesticides, so on, in spite of incomplete knowledge of their chronic toxicity. The majority of toxicity studies about the effects of pollution on aquatic organisms under controlled conditions have used either fish or the cladoceran Daphnia magna and there are few studies reported using rotifers. The effects of herbicides on population variables of laboratory rotifer cultures have been investigated. Rotifers are one of the main sources of zooplankton production and they have an important ecological significance in the aquatic environment. The present work was designed to investigate the effect of short-term exposure to some petroleum derivates which might be expected to occur immediately under an oil-slick, on freshwater and brackish environment rotifers. 18 refs., 1 tab.

  18. Reactions of the CN Radical with Benzene and Toluene: Product Detection and Low-Temperature Kinetics

    SciTech Connect

    Trevitt, Adam J.; Goulay, Fabien; Taatjes, Craig A.; Osborn, David L.; Leone, Stephen R.

    2009-12-23

    Low temperature rate coefficients are measured for the CN + benzene and CN + toluene reactions using the pulsed Laval nozzle expansion technique coupled with laser-induced fluorescence detection. The CN + benzene reaction rate coefficient at 105, 165 and 295 K is found to be relatively constant over this temperature range, 3.9 - 4.9 x 10-10 cm3 molecule-1 s-1. These rapid kinetics, along with the observed negligible temperature dependence, are consistent with a barrierless reaction entrance channel and reaction efficiencies approaching unity. The CN + toluene reaction is measured to have a slower rate coefficient of 1.3 x 10-10 cm3 molecule-1 s-1 at 105 K. At room temperature, non-exponential decay profiles are observed for this reaction that may suggest significant back-dissociation of intermediate complexes. In separate experiments, the products of these reactions are probed at room temperature using synchrotron VUV photoionization mass spectrometry. For CN + benzene, cyanobenzene (C6H5CN) is the only product recorded with no detectable evidence for a C6H5 + HCN product channel. In the case of CN + toluene, cyanotoluene (NCC6H4CH3) constitutes the only detected product. It is not possible to differentiate among the ortho, meta and para isomers of cyanotoluene because of their similar ionization energies and the ~;; 40 meV photon energy resolution of the experiment. There is no significant detection of benzyl radicals (C6H5CH2) that would suggest a H-abstraction or a HCN elimination channel is prominent at these conditions. As both reactions are measured to be rapid at 105 K, appearing to have barrierless entrance channels, it follows that they will proceed efficiently at the temperatures of Saturn?s moon Titan (~;;100 K) and are also likely to proceed at the temperature of interstellar clouds (10-20 K).

  19. Comparison of Benzene & Toluene removal from synthetic polluted air with use of Nano photocatalyticTiO2/ ZNO process

    PubMed Central

    2014-01-01

    Background Mono aromatic hydrocarbons (BTEX) are a group of hazardous pollutants which originate from sources such as refineries, gas, and oil extraction fields, petrochemicals and paint and glue industries. Conventional methods, including incineration, condensation, adsorption and absorption have been used for removal of VOCs. None of these methods is economical for removal of pollutants of polluted air with low to moderate concentrations. The heterogeneous photocatalytic processes involve the chemical reactions to convert pollutant to carbon dioxide and water. The aim of this paper is a comparison of Benzene & Toluene removal from synthetic polluted air using a Nano photocatalytic TiO2/ ZNO process. Results The X-ray diffraction (XRD) patterns showed that Nano crystals of TiO2 and ZNO were in anatase and rutile phases. Toluene & benzene were decomposed by TiO2/ ZNO Nano photocatalyst and UV radiation. Kruskal-wallis Test demonstrated that there are significant differences (pvalue < 0.05) between pollutant concentrations in different operational conditions. Conclusions Degradation of toluene & benzene increases with increasing UV intensity and decreasing initial concentrations. Effect of TiO2/ZNO Nano photocatalyst on benzene is less than that on toluene. In this research, Toluene & benzene removal by TiO2/ZNO and UV followed first-order reactions. PMID:24499601

  20. Sulfur and oxygen isotope fractionation during benzene, toluene, ethyl benzene, and xylene degradation by sulfate-reducing bacteria.

    PubMed

    Knöller, Kay; Vogt, Carsten; Richnow, Hans-Herrmann; Weise, Stephan M

    2006-06-15

    We examined the oxygen and sulfur isotope fractionation of sulfate during anaerobic degradation of toluene by sulfate-reducing bacteria in culture experiments with Desulfobacula toluolica as a type strain and with an enrichment culture Zz5-7 obtained from a benzene, toluene, ethylbenzene, and xylene (BTEX)-contaminated aquifer. Sulfur isotope fractionation can show considerable variation upon sulfate reduction and may react extremely sensitively to changes in environmental conditions. In contrast, oxygen isotope fractionation seems to be less sensitive to environmental changes. Our results clearly indicate that oxygen isotope fractionation is dominated by isotope exchange with ambient water. To verify our experimental results and to test the applicability of oxygen and sulfur isotope investigations under realistic field conditions, we evaluated isotope data from two BTEX-contaminated aquifers presented in the recent literature. On a field scale, bacterial sulfate reduction may be superimposed by processes such as dispersion, adsorption, reoxidation, or mixing. The dual isotope approach enables the identification of such sulfur transformation processes. This identification is vital for a general qualitative evaluation of the natural attenuation potential of the contaminated aquifer.

  1. Acetone

    Integrated Risk Information System (IRIS)

    EPA / 635 / R - 03 / 004 www.epa.gov / iris TOXICOLOGICAL REVIEW OF ACETONE ( CAS No . 67 - 64 - 1 ) In Support of Summary Information on the Integrated Risk Information System ( IRIS ) May 2003 U.S . Environmental Protection Agency Washington , DC DISCLAIMER This document has been reviewed in accor

  2. Simulating Retention in Gas-Liquid Chromatography: Benzene, Toluene, and Xylene Solutes

    SciTech Connect

    WICK,COLLIN D.; MARTIN,MARCUS G.; SIEPMANN, J. ILJA; SCHURE,MARK R.

    2000-07-12

    Accurate predictions of retention times, retention indices, and partition constants are a long sought-after goal for theoretical studies in chromatography. Although advances in computational chemistry have improved the understanding of molecular interactions, little attention has been focused on chromatography, let alone calculations of retention properties. Configurational-bias Monte Carlo simulations in the isobaric-isothermal Gibbs ensemble were used to investigate the partitioning of benzene, toluene, and the three xylene isomers between a squalane liquid phase and a helium vapor phase. The united-atom representation of the TraPPE (Transferable Potentials for Phase Equilibria) force field was used for all solutes and squalane. The Gibbs free energies of transfer and Kovats retention indices of the solutes were calculated directly from the partition constants (which were averaged over several independent simulations). While the calculated Kovats indices of benzene and toluene at T = 403 K are significantly higher than their experimental counterparts, much better agreement is found for the xylene isomers at T = 365 K.

  3. Interaction of benzene and toluene vapors with Ru(0001) surface: relevance to MLM contamination

    NASA Astrophysics Data System (ADS)

    Yakshinskiy, B. V.; Shen, Q.; Bartynski, R. A.

    2011-04-01

    We report studies of the thermal and non-thermal interaction of benzene and toluene vapors with the Ru(0001) surface, a model cap layer for multilayer mirrors (MLM), using temperature programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS), low energy ion scattering (LEIS), electron stimulated desorption (ESD), low electron energy diffraction (LEED), and scanning tunneling microscopy (STM). A low energy electron source (100 eV) is used to simulate radiation damage on the surface produced by EUV photons. Heating of adsorbed hydrocarbons leads to a stepwise dehydrogenation and buildup a self-limited carbon monolayer. Graphene monolayer and bilayer formation on Ru by hydrocarbon pyrolysis or by carbon segregation from the sample bulk is examined as a possible way to reduce the surface contamination rate. The binding energy of the hydrocarbon molecule is found to be smaller on a graphene layer than on disordered carbon. Electron bombardment of both bare and graphene covered Ru surface in the presence of benzene and toluene leads to C-buildup. However, the presence of a graphene monolayer on Ru surface reduces the electron-induced carbon growth rate at low electron flux conditions.

  4. Integrated Gas Sensing System of SWCNT and Cellulose Polymer Concentrator for Benzene, Toluene, and Xylenes

    PubMed Central

    Im, Jisun; Sterner, Elizabeth S.; Swager, Timothy M.

    2016-01-01

    An integrated cellulose polymer concentrator/single-walled carbon nanotube (SWCNT) sensing system is demonstrated to detect benzene, toluene, and xylenes (BTX) vapors. The sensing system consists of functionalized cellulose as a selective concentrator disposed directly on top of a conductive SWCNT sensing layer. Functionalized cellulose concentrator (top layer) selectively adsorbs the target analyte and delivers the concentrated analyte as near as possible to the SWCNT sensing layer (bottom layer), which enables the simultaneous concentrating and sensing within a few seconds. The selectivity can be achieved by functionalizing cellulose acetate with a pentafluorophenylacetyl selector that interacts strongly with the target BTX analytes. A new design of the integrated cellulose concentrator/SWCNT sensing system allows high sensitivity with limits of detection for benzene, toluene, and m-xylene vapors of 55 ppm, 19 ppm, and 14 ppm, respectively, selectivity, and fast responses (<10 s to reach equilibrium), exhibiting the potential ability for on-site, real-time sensing applications. The sensing mechanism involves the selective adsorption of analytes in the concentrator film, which in turn mediates changes in the electronic potentials at the polymer-SWCNT interface and potentially changes in the tunneling barriers between nanotubes. PMID:26848660

  5. Integrated Gas Sensing System of SWCNT and Cellulose Polymer Concentrator for Benzene, Toluene, and Xylenes.

    PubMed

    Im, Jisun; Sterner, Elizabeth S; Swager, Timothy M

    2016-02-02

    An integrated cellulose polymer concentrator/single-walled carbon nanotube (SWCNT) sensing system is demonstrated to detect benzene, toluene, and xylenes (BTX) vapors. The sensing system consists of functionalized cellulose as a selective concentrator disposed directly on top of a conductive SWCNT sensing layer. Functionalized cellulose concentrator (top layer) selectively adsorbs the target analyte and delivers the concentrated analyte as near as possible to the SWCNT sensing layer (bottom layer), which enables the simultaneous concentrating and sensing within a few seconds. The selectivity can be achieved by functionalizing cellulose acetate with a pentafluorophenylacetyl selector that interacts strongly with the target BTX analytes. A new design of the integrated cellulose concentrator/SWCNT sensing system allows high sensitivity with limits of detection for benzene, toluene, and m-xylene vapors of 55 ppm, 19 ppm, and 14 ppm, respectively, selectivity, and fast responses (<10 s to reach equilibrium), exhibiting the potential ability for on-site, real-time sensing applications. The sensing mechanism involves the selective adsorption of analytes in the concentrator film, which in turn mediates changes in the electronic potentials at the polymer-SWCNT interface and potentially changes in the tunneling barriers between nanotubes.

  6. Evaluation of Occupational Exposure of Shoe Makers to Benzene and Toluene Compounds in Shoe Manufacturing Workshops in East Tehran

    PubMed Central

    Hosseini, Vajihe; Jafari, Mohammad Javad; Soori, Hamid; Asadi, Parisa; Mousavion, Seid Mohammad Ali

    2012-01-01

    Background Shoe making is among the oldest traditional occupations. Hazardous chemical substances such as adhesives containing benzene and toluene are used in the manufacturing process. Due to the lack of studies on exposure of shoemakers to benzene and toluene in Iran, this study was organized aiming at evaluating occupational exposure and risk assessment in shoemakers. Materials and Methods Overall, 48 shoemakers (12 workshops) in East Tehran were selected randomly for this study. Personal exposure of shoemakers in four different task groups of cutting, modeling, fitting and finishing was examined during three consecutive months (October, November and December) with different climatic conditions. Sampling and analysis of samples were based on an OSHA method (Method No.12). Results The results of personal monitoring of subjects’ exposure to benzene and toluene in each of the three consecutive months (Mean ± standard error) were 1.10± 0.11, 1.37 ± 0.14 and 1.52 ± 0.18ppm, 11.78 ± 1.77, 14.87 ± 1.71 and 16.08 ± 2.31ppm respectively. Due to climatic temperature changes from October to December and restriction of air flow due to closure of windows and shut down of general ventilation systems, a general trend of increased exposure was noticed. However, the difference among these three examinations was not statistically significant. Shoemakers in four task groups did not have statistically significant differences in exposure to benzene and toluene. The severity of shoemaker's exposure to toluene was significantly correlated with the number of manufactured shoes and the amount of glue used for the process. Conclusion Considering the magnitude of personal exposure of task groups to benzene and toluene which was higher than TLV-TWA and unacceptably high risk of cancer and non-cancerous diseases in these subjects, improvement of work conditions for shoemakers seems imperative. PMID:25191437

  7. Evaluation of neuropsychological symptoms and exposure to benzene, toluene and xylene among two different furniture worker groups in Izmir.

    PubMed

    Mandiracioglu, Aliye; Akgur, Serap; Kocabiyik, Nesrin; Sener, Ufuk

    2011-10-01

    This study was conducted to determine whether there was any exposure to toluene, xylene and benzene and to assess the health impact of these solvents on workers in furniture enterprises in Karabaglar, Izmir. This cross-sectional study covered furniture enterprises in Karabaglar, Izmir. This study was comprised of an exposed group consisting of workers engaged in painting and varnishing and therefore exposed either directly or indirectly toluene, xylene and benzene in the workplace and the non-exposed group engaged in other aspects of production. While a total of 261 individuals completed questionnaires, 210 workers agreed to provide blood samples. Blood solvents levels were determined using gas chromatograph at Ege University, Intoxication Research and Application Centre. The modified EUROQUEST questionnaire was used to assess neuropsychological symptoms and neurological and general examination were performed. Occupational and exposure history, demographic and work-related information was collected. In this study of workers, blood toluene and benzene levels were found to be significantly higher among those engaged in painting and varnishing compared to those who perform other tasks. The average blood toluene and benzene concentrations among exposed workers were 6.95 times and 1.64 times respectively higher than those in the nonexposed groups. Smokers and participants who worked in excess of 8 hours/day had higher blood toluene and benzene levels. The most frequently work-related health complaints were back pain, allergies and asthma. No differences were found in the average scores in the neuropsychological symptoms questionnaire between exposed and non-exposed groups. Neurological examination of two individuals with these complaints revealed a loss of reflexes. The workers were unaware that they were being exposed to solvents at work. Tobacco smoke is a major source of internal exposure to benzene. Improving working conditions in furniture work places is a priority.

  8. Decomposition of benzene and toluene in air streams in fixed-film photoreactors coated with TiO2 catalyst.

    PubMed

    Ku, Young; Chen, Juan-Shiang; Chen, Hua-Wei

    2007-03-01

    The decomposition of benzene and toluene in air streams by UV/TiO2 process was studied in different annular photoreactors under various operating conditions. The shells of reactors used in this research are made of stainless steel, Pyrex glass, or titanium. The TiO2 film was coated to the inner surface of the reactors by either rotating coating or sol-gel techniques. The TiO2 films coated by sol-gel technique were found to be smoother and more uniform than those coated by rotating coating. However, experimental results indicated that the photocatalysis of benzene or toluene in a glass reactor with rotating-coated TiO2 film delivered higher decompositions in air streams than that with sol-gel coated reactors. Benzene and toluene were decomposed more effectively in a coated glass reactor than in a coated stainless steel reactor under the same operating conditions. The presence of water vapor in air-stream plays an important role in the decomposition of benzene and toluene, and a relative humidity of approximately 5-6% was found to be adequate. The presence of excessive amounts of humidity retarded the decomposition to certain extents possibly results from the competitive adsorption of water molecules on the active sites of TiO2.

  9. Separation of benzene, toluene, ethylbenzene, and xylenes by micellar electrokinetic capillary chromatography.

    PubMed

    Shim, H; Hwang, B; Yang, S T

    2004-01-01

    The use of sodium dodecyl sulfate, urea, beta-cyclodextrin, and methanol as additives to the electrophoretic medium containing a Na2HPO4-boric acid buffer in the micellar electrokinetic capillary chromatography of benzene, toluene, ethylbenzene, and three isomers of xylene (collectively known as BTEX) was investigated. The results showed that with the addition of sodium dodecyl sulfate only, higher selectivity and sensitivity and shorter migration time could be achieved, which consequently resulted in better separation of BTEX studied. For this buffer system, good linearity (R2>0.99) was found over the range of 5 to 500 microg ml(-1) for individual BTEX compound and separation time of less than 5 min for BTEX was possible.

  10. Simplified sonochemical preparation of titania embedded with selected metals for purification of benzene and toluene.

    PubMed

    Lee, Joon Yeob; Jo, Wan-Kuen

    2016-01-01

    Titania (TiO2) photocatalysts, each embedded with one of six metals (Ag, Ce, Co, Fe, Mg, and Mn), were prepared using a simplified ultrasonic process. The characteristics of the prepared metal-embedded TiO2 (metal-TiO2) were determined using transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction spectroscopy, photoluminescence emission spectroscopy, UV-visible spectroscopy, and nitrogen adsorption-desorption. Except for Co-TiO2, the metal-TiO2 photocatalysts showed improved performance for the decomposition of gaseous benzene and toluene, which are two of the most problematic indoor air pollutants that can cause a variety of adverse health symptoms, under daylight lamp irradiation. Photocatalytic activity was greatest for the Mg-TiO2 sample, followed by, in order, the Ag-TiO2, Ce-TiO2, Fe-TiO2, Mn-TiO2, unmodified TiO2, and Co-TiO2 samples. Although Mg-TiO2 showed the least redshift in its light absorption and the highest electron-hole recombination rate among the metal-TiO2 photocatalysts, it yielded the highest photocatalytic activity, likely because of its increased adsorption capacity and anatase composition. The degradation of benzene and toluene over Mg-TiO2 improved as ultrasound treatment amplitude increased from 20 to 37 μm, then decreased gradually as amplitude was further increased to 49 μm. Degradation efficiency also improved as ultrasound operation time increased from 30 to 60 min, then decreased gradually as amplitude was further increased to 90 min. Overall, this process could be utilized to prepare metal-TiO2 photocatalysts with improved performance for the decomposition of gas phase pollutants under daylight lamp irradiation.

  11. Integrated Anaerobic-Aerobic Biodegradation of Multiple Contaminants Including Chlorinated Ethylenes, Benzene, Toluene, and Dichloromethane.

    PubMed

    Yoshikawa, Miho; Zhang, Ming; Toyota, Koki

    2017-01-01

    Complete bioremediation of soils containing multiple volatile organic compounds (VOCs) remains a challenge. To explore the possibility of complete bioremediation through integrated anaerobic-aerobic biodegradation, laboratory feasibility tests followed by alternate anaerobic-aerobic and aerobic-anaerobic biodegradation tests were performed. Chlorinated ethylenes, including tetrachloroethylene (PCE), trichloroethylene (TCE), cis-dichloroethylene (cis-DCE), and vinyl chloride (VC), and dichloromethane (DCM) were used for anaerobic biodegradation, whereas benzene, toluene, and DCM were used for aerobic biodegradation tests. Microbial communities involved in the biodegradation tests were analyzed to characterize the major bacteria that may contribute to biodegradation. The results demonstrated that integrated anaerobic-aerobic biodegradation was capable of completely degrading the seven VOCs with initial concentration of each VOC less than 30 mg/L. Benzene and toluene were degraded within 8 days, and DCM was degraded within 20 to 27 days under aerobic conditions when initial oxygen concentrations in the headspaces of test bottles were set to 5.3% and 21.0%. Dehalococcoides sp., generally considered sensitive to oxygen, survived aerobic conditions for 28 days and was activated during the subsequent anaerobic biodegradation. However, degradation of cis-DCE was suppressed after oxygen exposure for more than 201 days, suggesting the loss of viability of Dehalococcoides sp., as they are the only known anaerobic bacteria that can completely biodegrade chlorinated ethylenes to ethylene. Anaerobic degradation of DCM following previous aerobic degradation was complete, and yet-unknown microbes may be involved in the process. The findings may provide a scientific and practical basis for the complete bioremediation of multiple contaminants in situ and a subject for further exploration.

  12. Mobility of Supercooled liquid Toluene, Ethylbenzene, and Benzene near their Glass Transition Temperatures Investigated using Inert Gas Permeation

    SciTech Connect

    May, Robert A.; Smith, R. Scott; Kay, Bruce D.

    2013-11-21

    We investigate the mobility of supercooled liquid toluene, ethylbenzene, and benzene near their respective glass transition temperatures (Tg). The permeation rate of Ar, Kr, and Xe through the supercooled liquid created when initially amorphous overlayers heated above their glass transition temperature is used to determine the diffusivity. Amorphous benzene crystallizes at temperatures well below its Tg and as a result the inert gas underlayer remains trapped until the onset of benzene desorption. In contrast, for toluene and ethylbenzene the onset of inert gas permeation is observed at temperatues near Tg. The inert gas desorption peak temperature as a function of the heating rate and overlayer thickness is used to quantify the diffusivity of supercooled liquid toluene and ethylbenzene from 115 K to 135 K. In this temperature range, diffusivities are found to vary across five orders of magnitude (~10-14 to 10-9 cm2/s). These data are compared to viscosity measurements and used to determine the low temperature fractional Stokes-Einstein exponent. Efforts to determine the diffusivity of a mixture of benzene and ethylbenzene are detailed, and the effect of mixing these materials on benzene crystallization is explored using infrared spectroscopy.

  13. Mobility of supercooled liquid toluene, ethylbenzene, and benzene near their glass transition temperatures investigated using inert gas permeation.

    PubMed

    May, R Alan; Smith, R Scott; Kay, Bruce D

    2013-11-21

    We investigate the mobility of supercooled liquid toluene, ethylbenzene, and benzene near their respective glass transition temperatures (Tg). The permeation rate of Ar, Kr, and Xe through the supercooled liquid created when initially amorphous overlayers are heated above their glass transition temperature is used to determine the diffusivity. Amorphous benzene crystallizes at temperatures well below its Tg, and as a result, the inert gas underlayer remains trapped until the onset of benzene desorption. In contrast, for toluene and ethylbenzene the onset of inert gas permeation is observed at temperatues near Tg. The inert gas desorption peak temperature as a function of the heating rate and overlayer thickness is used to quantify the diffusivity of supercooled liquid toluene and ethylbenzene from 115 to 135 K. In this temperature range, diffusivities are found to vary across 5 orders of magnitude (∼10(-14) to 10(-9) cm(2)/s). The diffusivity data are compared to viscosity measurements and reveal a breakdown in the Stokes-Einstein relationship at low temperatures. However, the data are well fit by the fractional Stokes-Einstein equation with an exponent of 0.66. Efforts to determine the diffusivity of a mixture of benzene and ethylbenzene are detailed, and the effect of mixing these materials on benzene crystallization is explored using infrared spectroscopy.

  14. Genotoxicity and apoptosis in Drosophila melanogaster exposed to benzene, toluene and xylene: Attenuation by quercetin and curcumin

    SciTech Connect

    Singh, Mahendra P.; Mishra, M.; Sharma, A.; Shukla, A.K.; Mudiam, M.K.R.; Patel, D.K.; Ram, K. Ravi; Chowdhuri, D. Kar

    2011-05-15

    Monocyclic aromatic hydrocarbons (MAHs) such as benzene, toluene and xylene are being extensively used for various industrial and household purposes. Exposure to these hydrocarbons, occupationally or non-occupationally, is harmful to organisms including human. Several studies tested for toxicity of benzene, toluene and xylene, and interestingly, only a few studies looked into the attenuation. We used Drosophila model to test the genotoxic and apoptotic potential of these compounds and subsequently evaluated the efficiency of two phytochemicals, namely, quercetin and curcumin in attenuating test chemical induced toxicity. We exposed third instar larvae of wild type Drosophila melanogaster (Oregon R{sup +}) to 1.0-100.0 mM benzene, toluene or xylene, individually, for 12, 24 and 48 h and examined their apoptotic and genotoxic potential. We observed significantly (P < 0.001) increased apoptotic markers and genotoxicity in a concentration- and time-dependent manner in organisms exposed to benzene, toluene or xylene. We also observed significantly (P < 0.001) increased cytochrome P450 activity in larvae exposed to test chemicals and this was significantly reduced in the presence of 3',4'-dimethoxyflavone, a known Aryl hydrocarbon receptor (AhR) blocker. Interestingly, we observed a significant reduction in cytochrome P450 activity, GST levels, oxidative stress parameters, genotoxic and apoptotic endpoints when organisms were exposed simultaneously to test chemical along with quercetin or curcumin. The study further suggests the suitability of D. melanogaster as an alternate animal model for toxicological studies involving benzene, toluene and xylene and its potential in studying the protective role(s) of phytochemicals.

  15. Quantitative detection of benzene in toluene- and xylene-rich atmospheres using high-kinetic-energy ion mobility spectrometry (IMS).

    PubMed

    Langejuergen, Jens; Allers, Maria; Oermann, Jens; Kirk, Ansgar; Zimmermann, Stefan

    2014-12-02

    One major drawback of ion mobility spectrometry (IMS) is the dependence of the response to a certain analyte on the concentration of water or the presence of other compounds in the sample gas. Especially for low proton affine analytes, e.g., benzene, which often exists in mixtures with other volatile organic compounds, such as toluene and xylene (BTX), a time-consuming preseparation is necessary. In this work, we investigate BTX mixtures using a compact IMS operated at decreased pressure (20 mbar) and high kinetic ion energies (HiKE-IMS). The reduced electric field in both the reaction tube and the drift tube can be independently increased up to 120 Td. Under these conditions, the water cluster distribution of reactant ions is shifted toward smaller clusters independent of the water content in the sample gas. Thus, benzene can be ionized via proton transfer from H3O(+) reactant ions. Also, a formation of benzene ions via charge transfer from NO(+) is possible. Furthermore, the time for interaction between ions and neutrals of different analytes is limited to such an extent that a simultaneous quantification of benzene, toluene, and xylene is possible from low ppbv up to several ppmv concentrations. The mobility resolution of the presented HiKE-IMS varies from R = 65 at high field (90 Td) to R = 73 at lower field (40 Td) in the drift tube, which is sufficient to separate the analyzed compounds. The detection limit for benzene is 29 ppbv (2 s of averaging) with 3700 ppmv water, 12.4 ppmv toluene, and 9 ppmv xylene present in the sample gas. Furthermore, a less-moisture-dependent benzene measurement with a detection limit of 32 ppbv with ca. 21 000 ppmv (90% relative humidity (RH) at 20 °C) water present in the sample gas is possible evaluating the signal from benzene ions formed via charge transfer.

  16. A membrane bioreactor for the simultaneous treatment of acetone, toluene, limonene and hexane at trace level concentrations.

    PubMed

    Lebrero, R; Volckaert, D; Pérez, R; Muñoz, R; Van Langenhove, H

    2013-05-01

    The performance of a flat-membrane biofilm reactor (MBR) for the removal of acetone, toluene, limonene and hexane at concentrations ranging from 1.3 to 3.2 mg m(-3) was investigated at different gas residence times (GRT): 60, 30, 15 and 7 s. A preliminary abiotic test was conducted to assess the mass transport of the selected volatile organic compounds (VOCs) through the membrane. A reduced transport of limonene and hexane was observed with water present over the dense side of the membrane. The presence of a biofilm attached on the dense side of the membrane following bioreactor inoculation significantly increased VOC transport. High acetone and toluene removals (>93%) were recorded in the MBR regardless of the GRT. To remediate the low hexane removal performance (RE < 24%) recorded at the initial stages of the process, a re-inoculation of the membrane with a hexane-degrading consortium embedded in silicon oil was performed. Although hexane removal did not exceed 27%, this re-inoculation increased limonene removals up to 90% at a GRT of 7 s. The absence of inhibition of hexane biodegradation by substrate competition confirmed that hexane removal in the MBR was indeed limited by the mass transfer through the membrane. Despite the low carbon source spectrum and load, the microbiological analysis of the communities present in the MBR showed high species richness (Shannon-Wiener indices of 3.2-3.5) and a high pair-wise similarity (84-97%) between the suspended and the attached biomass.

  17. Risk assessment of volatile organic compounds benzene, toluene, ethylbenzene, and xylene (BTEX) in consumer products.

    PubMed

    Lim, Seong Kwang; Shin, Han Seung; Yoon, Kyung Sil; Kwack, Seung Jun; Um, Yoon Mi; Hyeon, Ji Hyeon; Kwak, Hyo Min; Kim, Ji Yun; Kim, Tae Young; Kim, Yeon Joo; Roh, Tae Hyun; Lim, Duck Soo; Shin, Min Kyung; Choi, Seul Min; Kim, Hyung Sik; Lee, Byung-Mu

    2014-01-01

    Exposure and risk assessment was performed by evaluating levels of volatile organic compounds (VOC) benzene, toluene, ethylbenzene, and xylene (BTEX) in 207 consumer products. The products were categorized into 30 different items, consisting of products of different brands. Samples were analyzed for BTEX by headspace-gas chromatography/mass spectrometry (headspace-GC/MS) with limit of detection (LOD) of 1 ppm. BTEX were detected in 59 consumer products from 18 item types. Benzene was detected in whiteout (ranging from not detected [ND] to 3170 ppm), glue (1486 ppm), oil-based ballpoint pens (47 ppm), and permanent (marking) pens (2 ppm). Toluene was detected in a leather cleaning product (6071 ppm), glue (5078 ppm), whiteout (1130 ppm), self-adhesive wallpaper (15-1012 ppm), shoe polish (806 ppm), permanent pen (609 ppm), wig adhesive (372 ppm), tapes (2-360 ppm), oil-based ballpoint pen (201 ppm), duplex wallpaper (12-52 ppm), shoes (27 ppm), and air freshener (13 ppm). High levels of ethylbenzene were detected in permanent pen (ND-345,065 ppm), shoe polish (ND-277,928 ppm), leather cleaner (42,223 ppm), whiteout (ND-2,770 ppm), and glue (ND-792 ppm). Xylene was detected in permanent pen (ND-285,132 ppm), shoe polish (ND-87,298 ppm), leather cleaner (12,266 ppm), glue (ND-3,124 ppm), and whiteout (ND-1,400 ppm). Exposure assessment showed that the exposure to ethylbenzene from permanent pens ranged from 0 to 3.11 mg/kg/d (men) and 0 to 3.75 mg/kg/d (women), while for xylene, the exposure ranges were 0-2.57 mg/kg/d and 0-3.1 mg/kg/d in men and women, respectively. The exposure of women to benzene from whiteout ranged from 0 to 0.00059 mg/kg/d. Hazard index (HI), defined as a ratio of exposure to reference dose (RfD), for ethylbenzene was 31.1 (3.11 mg/kg/d/0.1 mg/kg/d) and for xylene (2.57 mg/kg/d/0.2 mg/kg/d) was 12.85, exceeding 1 for both compounds. Cancer risk for benzene was calculated to be 3.2 × 10(-5) based on (0.00059 mg/kg/d × 0.055 mg/kg-d(-1), cancer

  18. Ultrafast gas chromatography method with direct injection for the quantitative determination of benzene, toluene, ethylbenzene, and xylenes in commercial gasoline.

    PubMed

    Miranda, Nahieh Toscano; Sequinel, Rodrigo; Hatanaka, Rafael Rodrigues; de Oliveira, José Eduardo; Flumignan, Danilo Luiz

    2017-04-01

    Benzene, toluene, ethylbenzene, and xylenes are some of the most hazardous constituents found in commercial gasoline samples; therefore, these components must be monitored to avoid toxicological problems. We propose a new routine method of ultrafast gas chromatography coupled to flame ionization detection for the direct determination of benzene, toluene, ethylbenzene, and xylenes in commercial gasoline. This method is based on external standard calibration to quantify each compound, including the validation step of the study of linearity, detection and quantification limits, precision, and accuracy. The time of analysis was less than 3.2 min, with quantitative statements regarding the separation and quantification of all compounds in commercial gasoline samples. Ultrafast gas chromatography is a promising alternative method to official analytical techniques. Government laboratories could consider using this method for quality control.

  19. Substrate Interactions during the Biodegradation of Benzene, Toluene, Ethylbenzene, and Xylene (BTEX) Hydrocarbons by the Fungus Cladophialophora sp. Strain T1

    PubMed Central

    Prenafeta-Boldú, F. X.; Vervoort, J.; Grotenhuis, J. T. C.; van Groenestijn, J. W.

    2002-01-01

    The soil fungus Cladophialophora sp. strain T1 (= ATCC MYA-2335) was capable of growth on a model water-soluble fraction of gasoline that contained all six BTEX components (benzene, toluene, ethylbenzene, and the xylene isomers). Benzene was not metabolized, but the alkylated benzenes (toluene, ethylbenzene, and xylenes) were degraded by a combination of assimilation and cometabolism. Toluene and ethylbenzene were used as sources of carbon and energy, whereas the xylenes were cometabolized to different extents. o-Xylene and m-xylene were converted to phthalates as end metabolites; p-xylene was not degraded in complex BTEX mixtures but, in combination with toluene, appeared to be mineralized. The metabolic profiles and the inhibitory nature of the substrate interactions indicated that toluene, ethylbenzene, and xylene were degraded at the side chain by the same monooxygenase enzyme. Our findings suggest that soil fungi could contribute significantly to bioremediation of BTEX pollution. PMID:12039717

  20. Effects of packing material on the biofiltration of benzene, toluene and xylene vapours.

    PubMed

    Ortiz, I; Revah, S; Auria, R

    2003-03-01

    Biofiltration was used to eliminate volatile organic compounds from air streams in bench-scale reactors inoculated with an adapted consortium. Organic and inert supports were tested on 100 days of operation. The supports were: peat, vermiculite, a mixture of vermiculite and activated carbon, tree bark and, porous glass Rashig rings. A mixture of benzene, toluene and xylene vapors with a load of 200 gC m(-3) h(-1) was fed to the biofilters with an empty bed residence time of 60 s. Removal efficiencies higher than 95% were obtained with the mixture of vermiculite and activated carbon, 85% for peat and bark, 80% for vermiculite and 65% for the Rashig rings. In all cases, drying problems in beds were observed after several days of operation. Water addition with or without nutrients was required to maintain and increase the performance of biofilters. In steady state operation, experiments at loads ranging from 50 to 400 gC m(-3) h(-1) were carried out and a maximum elimination capacity of 260 gC m(-3) h(-1) was obtained for vermiculite-activated carbon support. The three xylene isomers were degraded. Observations of the supports surface by scanning electronic microscopy at the end of the biofiltration experiment showed abundant growth of fungi, which were not in the inoculum, had colonized the biofilter.

  1. Assessment of toluene/biphenyl dioxygenase gene diversity in benzene-polluted soils: links between benzene biodegradation and genes similar to those encoding isopropylbenzene dioxygenases.

    PubMed

    Witzig, Robert; Junca, Howard; Hecht, Hans-Jürgen; Pieper, Dietmar H

    2006-05-01

    The PCR-single-strand conformation polymorphism (SSCP) technique was used to assess the diversity and distribution of Rieske nonheme iron oxygenases of the toluene/biphenyl subfamily in soil DNA and bacterial isolates recovered from sites contaminated with benzene, toluene, ethylbenzene, and xylenes (BTEX). The central cores of genes encoding the catalytic alpha subunits were targeted, since they are responsible for the substrate specificities of these enzymes. SSCP functional genotype fingerprinting revealed a substantial diversity of oxygenase genes in three differently BTEX-contaminated soil samples, and sequence analysis indicated that in both the soil DNA and the bacterial isolates, genes for oxygenases related to the isopropylbenzene (cumene) dioxygenase branch of the toluene/biphenyl oxygenase subfamily were predominant among the detectable genotypes. The peptide sequences of the two most abundant alpha subunit sequence types differed by only five amino acids (residues 258, 286, 288, 289, and 321 according to numbering in cumene dioxygenase alpha subunit CumA1 of Pseudomonas fluorescens IP01). However, a strong correlation between sequence type and substrate utilization pattern was observed in isolates harboring these genes. Two of these residues were located at positions contributing, according to the resolved crystal structure of cumene dioxygenase from Pseudomonas fluorescens IP01, to the inner surface of the substrate-binding pocket. Isolates containing an alpha subunit with isoleucine and leucine at positions 288 and 321, respectively, were capable of degrading benzene and toluene, whereas isolates containing two methionine substitutions were found to be incapable of degrading toluene, indicating that the more bulky methionine residues significantly narrowed the available space within the substrate-binding pocket.

  2. Rise of inhaled toluene, ethyl benzene, m-xylene, or mesitylene in rat blood after treatment with ethanol

    SciTech Connect

    Roemer, K.G.; Federsel, R.J.; Freundt, K.J.

    1986-12-01

    Toluene, ethyl benzene, m-xylene, and mesitylene (1,3,5-methyl benzene) are widespread as solvents in industries and laboratories or in the manufacture and application of glues, paints, printing inks etc. These aromatics may be absorbed by employees during exposure at the workplace. Alcoholic beverages may be consumed during occupational inhalation or after shift's end at times. Toxicokinetic interactions between the aromatics and ethanol must be assumed because of the common pathway of biotransformation. The blood levels of toluene and m-xylene after inhalation increased significantly in volunteers dosed simultaneously with ethanol. In this view the present experiments in rats should elucidate whether the blood concentrations of inhaled ethyl benzene and mesitylene (both structurally related to toluene and m-xylene) can rise under the influence of ethanol, and whether quantitative differences of this effect due to the structure of these aromatics can occur. From the results informations important for the assessment of occupational health risk are to be expected.

  3. Observation of AlCl sub 3 -catalyzed trialkylsilylation of benzene and toluene with chlorotrialkylsilanes in the presence of Huenig bases

    SciTech Connect

    Olah, G.A.; Bach, T.; Prakash, G.K.S. )

    1989-08-04

    The authors now report observation of the direct silylation of benzene and toluene with a series of chlorotrialkylsilanes under Friedel-Crafts conditions in the presence of Huenig bases (hindered tertiary amines) as proton acceptors. When excess benzene or toluene was heated with chlorotrialkylsilane and aluminum trichloride in the presence of diisopropylethylamine at 150{degree}C in a sealed heavy walled glass tube for 24 h, the corresponding aryltrialkylsilanes were obtained in low, but detactable amounts.

  4. Distortion dependent intersystem crossing: A femtosecond time-resolved photoelectron spectroscopy study of benzene, toluene, and p-xylene

    PubMed Central

    Stephansen, Anne B.; Sølling, Theis I.

    2017-01-01

    The competition between ultrafast intersystem crossing and internal conversion in benzene, toluene, and p-xylene is investigated with time-resolved photoelectron spectroscopy and quantum chemical calculations. By exciting to S2 out-of-plane symmetry breaking, distortions are activated at early times whereupon spin-forbidden intersystem crossing becomes (partly) allowed. Natural bond orbital analysis suggests that the pinnacle carbon atoms distorting from the aromatic plane change hybridization between the planar Franck-Condon geometry and the deformed (boat-shaped) S2 equilibrium geometry. The effect is observed to increase in the presence of methyl-groups on the pinnacle carbon-atoms, where largest extents of σ and π orbital-mixing are observed. This is fully consistent with the time-resolved spectroscopy data: Toluene and p-xylene show evidence for ultrafast triplet formation competing with internal conversion, while benzene appears to only decay via internal conversion within the singlet manifold. For toluene and p-xylene, internal conversion to S1 and intersystem crossing to T3 occur within the time-resolution of our instrument. The receiver triplet state (T3) is found to undergo internal conversion in the triplet manifold within ≈100–150 fs (toluene) or ≈180–200 fs (p-xylene) as demonstrated by matching rise and decay components of upper and lower triplet states. Overall, the effect of methylation is found to both increase the intersystem crossing probability and direct the molecular axis of the excited state dynamics. PMID:28345010

  5. Concentrations of benzene and toluene in the atmosphere of the southwestern area at the Mexico City Metropolitan Zone

    NASA Astrophysics Data System (ADS)

    Bravo, Humberto; Sosa, Rodolfo; Sánchez, Pablo; Bueno, Emma; González, Laura

    The Mexico City Metropolitan Zone (MCMZ) presents important emissions of hazardous air pollutants. It is well documented that the MCMZ suffers a critical air pollution problem due to high ozone and particulate matter concentrations. However, toxic air pollutants such as benzene and toluene have not been considered. Benzene has accumulated sufficient evidence as a human carcinogen, and the ratio benzene/toluene is an excellent indicator to evaluate control strategies efficiency. In order to evaluate the levels of these two air toxic pollutants in the MCMZ, ambient air samples were collected in canisters and analyzed with a gas chromatograph with a flame ionization detector, according to procedures described in the United States Environmental Protection Agency (USEPA) method TO-15. Quality assurance was performed collecting duplicate samples which were analyzed in replicate to quantify the precision of air-quality measurements. Three different sites located in the Southwestern area in the MCMZ were selected for the sampling: the University campus, a gas station, and a vertical condominium area, in the same neighborhood, which presents different activities. At these sites, grab air samples were collected during the morning hours (7-8 a.m.), while for the University area, 24 h integrated air samples were collected simultaneously, with grab samples. Benzene concentrations (24 h sampling) in the atmosphere around the University campus have similar present levels as in other cities of North America. Mean values in this site were about 1.7 ppb. A significant variation exists between the benzene and toluene concentrations in the studied sites, being the more critical values than those registered at the gas station (an average of 25.8 ppb and a maximum of 141 ppb of benzene). There is a fuel regulation for gasoline in Mexico, which allows a maximum of 1 percent of benzene. However, since more than 60 percent of vehicles do not have catalytic converters (models before 1991

  6. Toluene

    Integrated Risk Information System (IRIS)

    Toluene ; CASRN 108 - 88 - 3 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Effects )

  7. Vapor-phase testing of the memory-effects in benzene- and toluene-imprinted polymers conditioned at elevated temperature.

    PubMed

    Azenha, Manuel; Schillinger, Eric; Sanmartin, Esther; Regueiras, M Teresa; Silva, Fernando; Sellergren, Börje

    2013-11-13

    The preparation of polymers imprinted with common aromatic solvents such as benzene and toluene is an under-exploited subject of research. The present study was aimed at the understanding of whether true solvent memory effects can be achieved by molecular imprinting, as well as if they are stable at elevated temperature. A set of copolymers, comprising low and high cross-linking levels, was prepared from four different combinations of functional monomer and cross-linker, namely methacrylic acid (MAA)/ethylene glycol dimethacrylate (EGDMA), methyl methacrylate (MMA)/EGDMA, MAA/divinyl benzene (DVB) and MMA/DVB. Each possible combination was prepared separately in benzene, toluene and acetonitrile. The obtained materials were applied as coatings onto nickel-titanium (Ni-Ti) alloy wires which were incorporated into solid-phase microextraction devices and finally tested for their ability to competitively adsorb vapors from the headspace of an aqueous solution containing a few volatile organic compounds. Porosity analysis showed that, regardless of the solvent used, only a high cross-linking level permitted the preparation of mesoporous copolymers (BJH radius typically in the range 13-15 nm), a requirement for providing accessibility to the targeted nanoscale-imprinted cavities. A noticeable exception was, however, observed for the MMA/DVB copolymers which exhibited much diminished BJH radius. The porosity data correlated well with the extraction profiles found, which suggested the presence of benzene-imprinted sites in all the highly cross-linked copolymers prepared in benzene, except for the MMA/DVB copolymers. Concerning the effect of an elevated conditioning temperature on the memory-effects created by the imprinting process, the results were clearly indicative that the tested copolymers, including the more robust highly cross-linked ones, are not suitable for high temperature applications such as solid-phase microextraction coupled to gas chromatography.

  8. Airborne determination of the temporo-spatial distribution of benzene, toluene, nitrogen oxides and ozone in the boundary layer across Greater London, UK

    NASA Astrophysics Data System (ADS)

    Shaw, M. D.; Lee, J. D.; Davison, B.; Vaughan, A.; Purvis, R. M.; Lewis, A. C.; Hewitt, C. N.

    2014-10-01

    Highly spatially resolved mixing ratios of benzene and toluene, nitrogen oxides (NOx) and ozone (O3) were measured in the atmospheric boundary layer above Greater London during the period 24 June to 9 July 2013 using a Dornier 228 aircraft. Toluene and benzene were determined in-situ using a proton transfer reaction mass spectrometer (PTR-MS), NOx by dual channel NOx chemiluminescence and O3 mixing ratios by UV absorption. Average mixing ratios observed over inner London at 360 ± 10 m a.g.l. were 0.20 ± 0.05, 0.28 ± 0.07, 13.2 ± 8.6, 21.0 ± 7.3 and 34.3 ± 15.2 ppbv for benzene, toluene, NO, NO2 and NOx respectively. Linear regression analysis between NO2, benzene and toluene mixing ratios yielded a trimodal distribution indicating that these compounds predominantly share the same or co-located sources within the city and that a significant fraction of NOx is directly emitted as NO2. Average mixing ratios measured at 360 ± 10 m a.g.l. over outer London were always lower than over inner London. Where traffic densities were highest, the toluene / benzene (T / B) concentration ratios were highest (average of 1.8 ± 0.3 ppbv ppbv-1) indicative of strong local sources. Daytime maxima in NOx, benzene and toluene mixing ratios were observed in the morning (~40 ppbv NOx, ~350 pptv toluene and ~200 pptv benzene) and for ozone in the mid-afternoon (~40 ppbv O3) all at 360 ± 10 m a.g.l.

  9. Airborne determination of the temporo-spatial distribution of benzene, toluene, nitrogen oxides and ozone in the boundary layer across Greater London, UK

    NASA Astrophysics Data System (ADS)

    Shaw, M. D.; Lee, J. D.; Davison, B.; Vaughan, A.; Purvis, R. M.; Harvey, A.; Lewis, A. C.; Hewitt, C. N.

    2015-05-01

    Highly spatially resolved mixing ratios of benzene and toluene, nitrogen oxides (NOx) and ozone (O3) were measured in the atmospheric boundary layer above Greater London during the period 24 June to 9 July 2013 using a Dornier 228 aircraft. Toluene and benzene were determined in situ using a proton transfer reaction mass spectrometer (PTR-MS), NOx by dual-channel NOx chemiluminescence and O3 mixing ratios by UV absorption. Average mixing ratios observed over inner London at 360 ± 10 m a.g.l. were 0.20 ± 0.05, 0.28 ± 0.07, 13.2 ± 8.6, 21.0 ± 7.3 and 34.3 ± 15.2 ppbv for benzene, toluene, NO, NO2 and NOx respectively. Linear regression analysis between NO2, benzene and toluene mixing ratios yields a strong covariance, indicating that these compounds predominantly share the same or co-located sources within the city. Average mixing ratios measured at 360 ± 10 m a.g.l. over outer London were always lower than over inner London. Where traffic densities were highest, the toluene / benzene (T / B) concentration ratios were highest (average of 1.8 ± 0.5 ppbv ppbv-1), indicative of strong local sources. Daytime maxima in NOx, benzene and toluene mixing ratios were observed in the morning (~ 40 ppbv NOx, ~ 350 pptv toluene and ~ 200 pptv benzene) and in the mid-afternoon for ozone (~ 40 ppbv O3), all at 360 ± 10 m a.g.l.

  10. Health hazard evaluation report HETA 84-419-1697, USGS Laboratory, Doraville, Georgia. [Benzene, methylene chloride, hexane, and acetone

    SciTech Connect

    Rondinelli, R.; Wilcox, T.; Roper, P.; Salisbury

    1986-05-01

    The U.S. Geological Survey National Water Quality Laboratory, Doraville, Georgia requested an evaluation of physical complaints reported by employees to determine possible work related causes. Laboratory workers, in general, complained of physical symptoms which were irritative (rash, sore throat, nose or sinus irritation), neurological (numbness, muscle weakness) and nonspecific (dizziness, headache, emotional swings, insomnia, muscle aching, fatigue). Reported exposure to solvents such as benzene, methylene chloride, hexane and acetone were positively related with light headedness or dizziness, numbness, unexplained muscle weakness and muscle aching. Air sampling did not reveal any remarkable exposure to chemical contaminants. The authors conclude that no relationship could be established between chemical exposures and antinuclear antibody positivity. Exposure to chemicals measured by air sampling were below occupational health exposure limits.

  11. Health risk assessment of ambient air concentrations of benzene, toluene and xylene (BTX) in service station environments.

    PubMed

    Edokpolo, Benjamin; Yu, Qiming Jimmy; Connell, Des

    2014-06-18

    A comprehensive evaluation of the adverse health effects of human exposures to BTX from service station emissions was carried out using BTX exposure data from the scientific literature. The data was grouped into different scenarios based on activity, location and occupation and plotted as Cumulative Probability Distributions (CPD) plots. Health risk was evaluated for each scenario using the Hazard Quotient (HQ) at 50% (CEXP50) and 95% (CEXP95) exposure levels. HQ50 and HQ95 > 1 were obtained with benzene in the scenario for service station attendants and mechanics repairing petrol dispensing pumps indicating a possible health risk. The risk was minimized for service stations using vapour recovery systems which greatly reduced the benzene exposure levels. HQ50 and HQ95 < 1 were obtained for all other scenarios with benzene suggesting minimal risk for most of the exposed population. However, HQ50 and HQ95 < 1 was also found with toluene and xylene for all scenarios, suggesting minimal health risk. The lifetime excess Cancer Risk (CR) and Overall Risk Probability for cancer on exposure to benzene was calculated for all Scenarios and this was higher amongst service station attendants than any other scenario.

  12. On-line CO, CO2 emissions evaluation and (benzene, toluene, xylene) determination from experimental burn of tropical biomass.

    PubMed

    Tawfiq, Mohammed F; Aroua, Mohamed Kheireddine; Sulaiman, Nik Meriam Nik

    2015-07-01

    Atmospheric pollution and global warming issues are increasingly becoming major environmental concerns. Fire is one of the significant sources of pollutant gases released into the atmosphere; and tropical biomass fires, which are of particular interest in this study, contribute greatly to the global budget of CO and CO2. This pioneer research simulates the natural biomass burning strategy in Malaysia using an experimental burning facility. The investigation was conducted on the emissions (CO2, CO, and Benzene, Toluene, Ethylbenzene, Xylenes (BTEX)) from ten tropical biomass species. The selected species represent the major tropical forests that are frequently subjected to dry forest fire incidents. An experimental burning facility equipped with an on-line gas analyzer was employed to determine the burning emissions. The major emission factors were found to vary among the species, and the specific results were as follows. The moisture content of a particular biomass greatly influenced its emission pattern. The smoke analysis results revealed the existence of BTEX, which were sampled from a combustion chamber by enrichment traps aided with a universal gas sampler. The BTEX were determined by organic solvent extraction followed by GC/MS quantification, the results of which suggested that the biomass burning emission factor contributed significant amounts of benzene, toluene, and m,p-xylene. The modified combustion efficiency (MCE) changed in response to changes in the sample moisture content. Therefore, this study concluded that the emission of some pollutants mainly depends on the burning phase and sample moisture content of the biomass.

  13. The interaction effects of binary mixtures of benzene and toluene on the developing heart of medaka (Oryzias latipes).

    PubMed

    Teuschler, Linda K; Gennings, Chris; Hartley, William R; Carter, Hans; Thiyagarajah, Arunthavarani; Schoeny, Rita; Cubbison, Chris

    2005-03-01

    The United States Environmental Protection Agency (USEPA) has pursued the estimation of risk of adverse health effects from exposure to chemical mixtures since the early 1980s. Methods used to calculate risk estimates of mixtures were often based on single chemical information that required assumptions of dose-addition or response-addition and did not consider possible changes in response due to interaction effects among chemicals. Full factorial designs for laboratory studies can produce interactions information, but these are expensive to perform and may not provide the information needed to evaluate specific environmentally relevant mixtures. In this research, groups of Japanese medaka (Oryzias latipes) embryos were exposed to binary mixtures of benzene and toluene as well as to each of these chemicals alone. Endpoint specific dose-response models were built for the hydrocarbon mixture under an assumption of dose-additivity, using the single chemical dose-response information on benzene and toluene. The endpoints included heart rate, heart rate progression, and lethality. Results included a synergistic response for heart rate at 72 h of development, and either additivity or antagonism for all other endpoints at 96 h of development. This work uses an established statistical method to evaluate the toxicity of an environmentally relevant mixture to ascertain whether interaction effects are occurring, thus providing additional information on toxicity.

  14. A chromosomally based tod-luxCDABE whole-cell reporter for benzene, toluene, ethybenzene, and xylene (BTEX) sensing

    SciTech Connect

    Applegate, B.M.; Kehrmeyer, S.R.; Sayler, G.S.

    1998-07-01

    A tod-luxCDABE fusion was constructed and introduced into the chromosome of Pseudomonas putida F1, yielding the strain TVA8. This strain was used to examine the induction of the tod operon when exposed to benzene, toluene, ethylbenzene, and xylene (BTEX) compounds and aqueous solutions of JP-4 jet fuel constituents. Since this system contained the complete lux cassette (luxCDABE), bacterial bioluminescence in response to putative chemical inducers of the tod operon was measured on-line in whole cells without added aldehyde substrate. There was an increasing response to toluene concentrations from 30 {micro}g/liter to 50 mg/liter, which began to saturate at higher concentrations. The detection limit was 30 {micro}g/liter. There was a significant light response to benzene, m- and p-xylenes, phenol, and water-soluble JP-4 jet fuel components, but there was no bioluminescence response upon exposure to o-xylene. The transposon insertion was stable and had no negative effect on cell growth.

  15. Characterization of plasma-enhanced teflon AF for sensing benzene, toluene, and xylenes in water with near-IR surface plasmon resonance.

    PubMed

    Erickson, Tim A; Nijjar, Rajvir; Kipper, Matt J; Lear, Kevin L

    2014-02-01

    Near-IR surface plasmon resonance is used to characterize Teflon AF films for refractive index-based detection of the aromatic hydrocarbon contaminants benzene, toluene, and xylenes in water. The technique requires no sample preparation, and film sensitivity is found to be enhanced by oxygen plasma etching. A diffusion equation model is used to extract the diffusion and partition coefficients, which indicate film enrichment factors exceeding two orders of magnitude, permitting a limit of detection of 183, 105 and 55 ppb for benzene, toluene, and xylenes, respectively. The effect of other potential interfering contaminants is quantified.

  16. Evaluation of organic-vapor respirator cartridge efficiency for toluene diisocyanate vapor in the presence of methylenechloride or acetone solvent.

    PubMed

    Dharmarajan, Venkatram; Cummings, Barbara; Lingg, Robert D

    2003-08-01

    Toluene diisocyanate (TDI) is a widely used raw material in the manufacture of flexible polyurethane foams. Acetone (ACE) and/or methylenechloride (MECL) solvents are the most commonly used solvent-based blowing agents for TDI foams. ACGIH has recommended a TWA exposure limit of 5 ppb for TDI and 500 ppm for ACE. For MECL, OSHA mandates a TWA-exposure limit of 25 ppm. This study evaluated the ability of the organic-vapor respirator cartridges (OVC) to block TDI, as well as the effect of airborne MECL or ACE on the OVCs' efficiency to capture TDI. An aluminum/stainless steel exposure chamber was constructed for simultaneously challenging OVCs in triplicate with a dynamic atmosphere of TDI and ACE or MECL vapor. The challenge atmosphere was generated by combining a TDI-laden nitrogen stream from the headspace of a heated impinger with a humidified stream of the indicated solvent in air. The average challenge concentration for TDI was 275 ppb. The average MECL or ACE concentrations were 547 and 581 ppm, respectively. The challenge atmosphere at room temperature (approximately 24 degrees C) and at 25 or 80 percent relative humidity was drawn through each cartridge at 32 L/min for 40+ hours. During the last 8 hours of the challenge, the atmosphere had only TDI vapor. The pre- and post-cartridge atmospheres were periodically sampled for TDI and solvent. Five tests were conducted--two with MSA and three with North OVCs. Under these extreme test conditions no TDI breakthrough was detected from any OVC. The average-calculated efficiency of the OVCs for TDI was >99.9+ percent. Within the first 6 hours of the challenge the cartridges were saturated with ACE or MECL; nevertheless, continued challenging with TDI and solvents did not cause any TDI breakthrough. The study demonstrates that with an OSHA-compliant respiratory protection program, an OVC can safely be used for 40 hours in most polyurethane foam operations. In typical occupational environments using TDI and solvents

  17. Investigation of the chemical stability of the laser-induced fluorescence tracers acetone, diethylketone, and toluene under IC engine conditions using Raman spectroscopy.

    PubMed

    Trost, Johannes; Zigan, Lars; Eichmann, Simone C; Seeger, Thomas; Leipertz, Alfred

    2013-09-01

    This paper reports on an investigation of the chemical stability of the common laser-induced fluorescence (LIF) tracers acetone, diethylketone, and toluene. Stability is analyzed using linear Raman spectroscopy inside a heated pressure cell with optical access, which is used for the LIF calibration of these tracers. The measurements examine the influence of temperature, pressure, and residence time on tracer oxidation, which occurs without a rise in temperature or pressure inside the cell, highlighting the need for optical detection. A comparison between the three different tracers shows large differences, with diethylketone having the lowest and toluene by far the highest stability. An analysis of the sensitivity of the measurement shows that the detection limit of the oxidized tracer is well below 3% molar fraction, which is typical for LIF applications in combustion devices such as internal combustion (IC) engines. Furthermore, the effect on the LIF signal intensity is examined in an isothermal turbulent mixing study.

  18. Spatial variability in levels of benzene, formaldehyde, and total benzene, toluene, ethylbenzene and xylenes in New York City: a land-use regression study

    PubMed Central

    2012-01-01

    Background Hazardous air pollutant exposures are common in urban areas contributing to increased risk of cancer and other adverse health outcomes. While recent analyses indicate that New York City residents experience significantly higher cancer risks attributable to hazardous air pollutant exposures than the United States as a whole, limited data exist to assess intra-urban variability in air toxics exposures. Methods To assess intra-urban spatial variability in exposures to common hazardous air pollutants, street-level air sampling for volatile organic compounds and aldehydes was conducted at 70 sites throughout New York City during the spring of 2011. Land-use regression models were developed using a subset of 59 sites and validated against the remaining 11 sites to describe the relationship between concentrations of benzene, total BTEX (benzene, toluene, ethylbenzene, xylenes) and formaldehyde to indicators of local sources, adjusting for temporal variation. Results Total BTEX levels exhibited the most spatial variability, followed by benzene and formaldehyde (coefficient of variation of temporally adjusted measurements of 0.57, 0.35, 0.22, respectively). Total roadway length within 100 m, traffic signal density within 400 m of monitoring sites, and an indicator of temporal variation explained 65% of the total variability in benzene while 70% of the total variability in BTEX was accounted for by traffic signal density within 450 m, density of permitted solvent-use industries within 500 m, and an indicator of temporal variation. Measures of temporal variation, traffic signal density within 400 m, road length within 100 m, and interior building area within 100 m (indicator of heating fuel combustion) predicted 83% of the total variability of formaldehyde. The models built with the modeling subset were found to predict concentrations well, predicting 62% to 68% of monitored values at validation sites. Conclusions Traffic and point source emissions

  19. Thermochemistry of C60 fullerene solutions in benzene, toluene, o-xylene, and o-dichlorobenzene at 298.15 K

    NASA Astrophysics Data System (ADS)

    Akhapkina, T. E.; Krusheva, M. A.; Solov'ev, S. N.; Firer, A. A.

    2017-02-01

    The enthalpies of dissolution of C60 in benzene, toluene, o-xylene and o-dichlorobenzene are measured in a sealed high-sensitivity calorimeter at 298.15 K and at different concentrations of the solute. The standard enthalpies of dissolution of C60 in these solvents are determined.

  20. Analytical characteristics of the determination of benzene, toluene, ethylbenzene and xylenes in water by headspace solvent microextraction.

    PubMed

    Przyjazny, Andrzej; Kokosa, John M

    2002-11-22

    Headspace solvent microextraction (HSM) is a novel method of sample preparation for chromatographic analysis. It involves exposing a microdrop of high-boiling point organic solvent extruded from the needle tip of a gas chromatographic syringe to the headspace above a sample. Volatile organic compounds are extracted and concentrated in the microdrop. Next, the microdrop is retracted into the microsyringe and injected directly into the chromatograph. HSM has a number of advantages, including renewable drop (no sample carryover), low cost, simplicity and ease of use, short time of analysis, high sensitivity and low detection limits, good precision, minimal solvent use, and no need for instrument modification. This paper presents analytical characteristics of HSM as applied to the determination of benzene, toluene, ethylbenzene and xylenes in water.

  1. Effect of phytoremediation on concentrations of benzene, toluene, naphthalene, and dissolved oxygen in groundwater at a former manufactured gas plant site, Charleston, South Carolina, USA, 1998–2014

    USGS Publications Warehouse

    Landmeyer, James E.; Effinger, Thomas N.

    2016-01-01

    Concentrations of benzene, toluene, naphthalene, and dissolved oxygen in groundwater at a former manufactured gas plant site near Charleston, South Carolina, USA, have been monitored since the installation of a phytoremediation system of hybrid poplar trees in 1998. Between 2000 and 2014, the concentrations of benzene, toluene, and naphthalene (BT&N) in groundwater in the planted area have decreased. For example, in the monitoring well containing the highest concentrations of BT&N, benzene concentrations decreased from 10,200 µg/L to less than 4000 µg/L, toluene concentrations decreased from 2420 µg/L to less than 20 µg/L, and naphthalene concentrations decreased from 6840 µg/L to less than 3000 µg/L. Concentrations of BT&N in groundwater in all wells were observed to be lower during the summer months relative to the winter months of a particular year during the first few years after installing the phytoremediation system, most likely due to increased transpiration and contaminant uptake by the hybrid poplar trees during the warm summer months; this pathway of uptake by trees was confirmed by the detection of benzene, toluene, and naphthalene in trees during sampling events in 2002, and later in the study in 2012. These data suggest that the phytoremediation system affects the groundwater contaminants on a seasonal basis and, over multiple years, has resulted in a cumulative decrease in dissolved-phase contaminant concentrations in groundwater. The removal of dissolved organic contaminants from the aquifer has resulted in a lower demand on dissolved oxygen supplied by recharge and, as a result, the redox status of the groundwater has changed from anoxic to oxic conditions. This study provides much needed information for water managers and other scientists on the viability of the long-term effectiveness of phytoremediation in decreasing groundwater contaminants and increasing dissolved oxygen at sites contaminated by benzene, toluene, and naphthalene.

  2. Carcinogenesis of Nitrated Toluenes and Benzenes Skin and Lung Tumor Assays in Mice

    DTIC Science & Technology

    1985-05-01

    SLAGA ET AL. NAY 85 ORNL -TOX-82-1 UNCLASSIFIED DOE-IRG-40-i~i6-79 F/G 6/29 N LmhmhhII -4I LI 1. .6 I1.8 111jj 12511 .4 I1 . MICROCOPY RESOLUTION TEST...November 1979--March 1983 SKIN AND LUNG TUMOR ASSAYS IN MICE 6. PERFORMING ORG. REPORT NUMBER - ORNL TOX 82-i 7. AUTI4OR(a) S. CONTRACT OR GRANT NUMBER...mouse Ure than UNCLASSIFIED SECURITY CLASSIFICATION OF THIS PAGErIYIon Data Ento.e) QI AD ORNL /TM-9645 P CARCINOGENESIS OF NITRATED TOLUENES AND

  3. An effort to test the embryotoxicity of benzene, toluene, xylene, and formaldehyde to murine embryonic stem cells using airborne exposure technique.

    PubMed

    Shen, Shuijie; Yuan, Lingmin; Zeng, Su

    2009-10-01

    Benzene, toluene, xylene, and formaldehyde are well-known indoor air pollutants, especially after house decoration. They are also common pollutants in the working places of the plastic industry, chemical industry, and leather industry. It has been reported that these pollutants cause people to be irritated, sick, experience a headache, and be dizzy. They also have the potential to induce asthma, aplastic anemia, and leukemia, even cause abortion or fetus malformation in humans. In this study, the airborne toxicity of benzene, toluene, xylene, and formaldehyde to murine embryonic stem cells (mES cells) were tested using airborne exposure technique to evaluate the mES cell airborne exposure model on embryotoxicity prediction. Briefly, mES cells were cultured on Transwell inserts and were exposed to an airborne surrounding of test chemicals in a chamber for 1 h at 37 degrees C. Cytotoxicity was determined using the MTT assay after further culture for 18 h at 37 degrees C in normal medium. The airborne IC(50) (50% inhibition concentration) of benzene, toluene, xylene, and formaldehyde derived from the fitted dose-response curves were 17,400 +/- 1290, 16,000 +/- 250, 4680 +/- 500, and 620 +/- 310 ppm, respectively. Formaldehyde was found to be the compound most toxic to mES cells compared to benzene homologues. The toxicity data had good correlation with the in vivo data. The results showed that the mES airborne exposure model may be used to predict embryotoxicity of volatile organic compounds.

  4. Biosorption removal of benzene and toluene by three dried macroalgae at different ionic strength and temperatures: Algae biochemical composition and kinetics.

    PubMed

    Flores-Chaparro, Carlos E; Chazaro Ruiz, Luis Felipe; Alfaro de la Torre, Ma Catalina; Huerta-Diaz, Miguel Angel; Rangel-Mendez, Jose Rene

    2017-05-15

    Release of low-molecular aromatic hydrocarbons (HC) into natural waters brings severe consequences to our environment. Unfortunately very limited information is available regarding the treatment of these pollutants. This work evaluated the use of brown, green and red macroalgae biomass as biosorbents of benzene and toluene, two of the most soluble HC. Raw seaweed biomasses were completely characterized, then evaluated under different temperatures and ionic strengths to assess their potential as biosorbents and to elucidate the biosorption mechanisms involved. Brown macroalgae registered the highest removal capacities for benzene and toluene (112 and 28 mg·g(-1), respectively), and these were not affected at ionic strength < 0.6 M. Langmuir and Sips isotherm equations well described biosorption data, and the pseudo-second order model provided the best fit to the kinetics rate. Hydrocarbons are adsorbed onto the diverse chemical components of the cell wall by London forces and hydrophobic interactions.

  5. Complete Genome Sequences of Pseudomonas monteilii SB3078 and SB3101, Two Benzene-, Toluene-, and Ethylbenzene-Degrading Bacteria Used for Bioaugmentation.

    PubMed

    Dueholm, Morten S; Albertsen, Mads; D'Imperio, Seth; Tale, Vaibhav P; Lewis, Derrick; Nielsen, Per Halkjær; Nielsen, Jeppe Lund

    2014-05-29

    Pseudomonas monteilii SB3078 and SB3101 are benzene-, toluene-, and ethylbenzene-degrading strains used for bioaugmentation in relation to treatment of wastewater contaminated with petrochemical hydrocarbons. Complete genome sequencing of the bioaugmentation strains confirms that they are very closely related (100.0% average nucleotide identity). Both strains contain extensive integration of phage elements, with the main difference being insertion of additional phage elements in the SB3078 genome.

  6. Complete Genome Sequences of Pseudomonas monteilii SB3078 and SB3101, Two Benzene-, Toluene-, and Ethylbenzene-Degrading Bacteria Used for Bioaugmentation

    PubMed Central

    Albertsen, Mads; D’Imperio, Seth; Tale, Vaibhav P.; Lewis, Derrick; Nielsen, Per Halkjær; Nielsen, Jeppe Lund

    2014-01-01

    Pseudomonas monteilii SB3078 and SB3101 are benzene-, toluene-, and ethylbenzene-degrading strains used for bioaugmentation in relation to treatment of wastewater contaminated with petrochemical hydrocarbons. Complete genome sequencing of the bioaugmentation strains confirms that they are very closely related (100.0% average nucleotide identity). Both strains contain extensive integration of phage elements, with the main difference being insertion of additional phage elements in the SB3078 genome. PMID:24874689

  7. Biodegradation Kinetics of Tetrahydrofuran, Benzene, Toluene, and Ethylbenzene as Multi-substrate by Pseudomonas oleovorans DT4

    PubMed Central

    Chen, Dong-Zhi; Ding, Yun-Feng; Zhou, Yu-Yang; Ye, Jie-Xu; Chen, Jian-Meng

    2014-01-01

    The biodegradation kinetics of tetrahydrofuran, benzene (B), toluene (T), and ethylbenzene (E) were systematically investigated individually and as mixtures by a series of aerobic batch degradation experiments initiated by Pseudomonas oleovorans DT4. The Andrews model parameters, e.g., maximum specific growth rates (μmax), half saturation, and substrate inhibition constant, were obtained from single-substrate experiments. The interaction parameters in the sum kinetics model (SKIP) were obtained from the dual substrates. The μmax value of 1.01 for tetrahydrofuran indicated that cell growth using tetrahydrofuran as carbon source was faster than the growth on B (μmax, B = 0.39) or T (μmax, T = 0.39). The interactions in the dual-substrate experiments, including genhancement, inhibition, and co-metabolism, in the mixtures of tetrahydrofuran with B or T or E were identified. The degradation of the four compounds existing simultaneously could be predicted by the combination of SKIP and co-metabolism models. This study is the first to quantify the interactions between tetrahydrofuran and BTE. PMID:25561017

  8. Development of a versatile, easy and rapid atmospheric monitor for benzene, toluene, ethylbenzene and xylenes determination in air.

    PubMed

    Esteve-Turrillas, Francesc A; Ly-Verdú, Saray; Pastor, Agustín; de la Guardia, Miguel

    2009-11-27

    A new procedure for the passive sampling in air of benzene, toluene, ethylbenzene and xylene isomers (BTEX) is proposed. A low-density polyethylene layflat tube filled with a mixture of solid phases provided a high versatility tool for the sampling of volatile compounds from air. Several solid phases were assayed in order to increase the BTEX absorption in the sampler and a mixture of florisil and activated carbon provided the best results. Direct head-space-gas chromatography-mass spectrometry (HS-GC-MS) measurement of the whole deployed sampler was employed for a fast determination of BTEX. Absorption isotherms were used to develop simple mathematical models for the estimation of BTEX time-weighted average concentrations in air. The proposed samplers were used to determine BTEX in indoor air environments and results were compared with those found using two reference methodologies: triolein-containing semipermeable membrane devices (SPMDs) and diffusive Radiello samplers. In short, the developed sampling system and analytical strategy provides a versatile, easy and rapid atmospheric monitor (VERAM).

  9. Real-time monitoring of benzene, toluene, and p-xylene in a photoreaction chamber with a tunable mid-infrared laser and ultraviolet differential optical absorption spectroscopy.

    PubMed

    Parsons, Matthew T; Sydoryk, Ihor; Lim, Alan; McIntyre, Thomas J; Tulip, John; Jäger, Wolfgang; McDonald, Karen

    2011-02-01

    We describe the implementation of a mid-infrared laser-based trace gas sensor with a photoreaction chamber, used for reproducing chemical transformations of benzene, toluene, and p-xylene (BTX) gases that may occur in the atmosphere. The system performance was assessed in the presence of photoreaction products including aerosol particles. A mid-infrared external cavity quantum cascade laser (EC-QCL)-tunable from 9.41-9.88 μm (1012-1063 cm(-1))-was used to monitor gas phase concentrations of BTX simultaneously and in real time during chemical processing of these compounds with hydroxyl radicals in a photoreaction chamber. Results are compared to concurrent measurements using ultraviolet differential optical absorption spectroscopy (UV DOAS). The EC-QCL based system provides quantitation limits of approximately 200, 200, and 600 parts in 10(9) (ppb) for benzene, toluene, and p-xylene, respectively, which represents a significant improvement over our previous work with this laser system. Correspondingly, we observe the best agreement between the EC-QCL measurements and the UV DOAS measurements with benzene, followed by toluene, then p-xylene. Although BTX gas-detection limits are not as low for the EC-QCL system as for UV DOAS, an unidentified by-product of the photoreactions was observed with the EC-QCL, but not with the UV DOAS system.

  10. Biomass fuels and coke plants are important sources of human exposure to polycyclic aromatic hydrocarbons, benzene and toluene.

    PubMed

    Fan, Ruifang; Li, Junnan; Chen, Laiguo; Xu, Zhencheng; He, Dechun; Zhou, Yuanxiu; Zhu, Yuanyuan; Wei, Fusheng; Li, Jihua

    2014-11-01

    Large amounts of carcinogenic polycyclic aromatic hydrocarbons (PAHs), benzene and toluene (BT) might be emitted from incomplete combustion reactions in both coal tar factories and biomass fuels in rural China. The health effects arising from exposure to PAHs and BT are a concern for residents of rural areas close to coal tar plants. To assess the environmental risk and major exposure sources, 100 coke plant workers and 25 farmers in Qujing, China were recruited. The levels of 10 mono-hydroxylated PAHs (OH-PAHs), four BT metabolites and 8-hydroxy-2'-deoxyguanosine (8-OHdG) in the urine collected from the subjects were measured. The 8-OHdG levels in the urine were determined to evaluate the oxidative DNA damage induced by the PAHs and BT. The results showed that the levels of the OH-PAHs, particularly those of 1-hydroxynathalene and 1-hydroxypyrene, in the farmers were 1-7 times higher than those in the workers. The concentrations of the BT metabolites were comparable between the workers and farmers. Although the exact work location within a coke oven plant might affect the levels of the OH-PAHs, one-way ANOVA revealed no significant differences for either the OH-PAHs levels or the BT concentrations among the three groups working at different work sites. The geometric mean concentration (9.17 µg/g creatinine) of 8-OHdG was significantly higher in the farmers than in the plant workers (6.27 µg/g creatinine). The levels of 8-OHdG did not correlate with the total concentrations of OH-PAHs and the total levels of BT metabolites. Incompletely combusted biomass fuels might be the major exposure source, contributing more PAHs and BT to the local residents of Qujing. The estimated daily intakes (EDIs) of naphthalene and fluorene for all of the workers and most of the farmers were below the reference doses (RfDs) recommended by the U.S. Environmental Protection Agency (EPA), except for the pyrene levels in two farmers. However, the EDIs of benzene in the workers and local

  11. Monitoring of gas station attendants exposure to benzene, toluene, xylene (BTX) using three-color chromosome painting

    PubMed Central

    2014-01-01

    Background Chronic exposure of BTX (benzene, toluene, xylene) may lead to progressive degeneration of bone marrow, aplastic anemia and/or leukemia. In Brazil there is no self-service fuel in gas stations and attendants fill the fuel themselves. Due to this they are chronically exposed to high concentration of BTX. Occupational exposure to benzene has been associated with increased chromosomal aberrations in peripheral blood lymphocytes. Fluorescence in situ hybridization (FISH) using whole chromosome painting (wcp) probes allows the rapid detection of chromosomal aberration. In the present study three-color wcp probes for chromosomes 1, 2 and 4 were used for monitoring 60 gas station attendants. Results Blood tests were done and interviews were conducted for each worker. For searching for possible associations between the clinical characteristics and the frequency of chromosomal aberrations the workers were divided into two groups (≤ 10 chromosomal abnormalities per 1,000 metaphases and > 10 chromosomal abnormalities per 1,000 metaphases).The studied workers had a low median age (36 year), albeit long period of BTX exposure (median was 16 years). Low prevalence of smoking and moderate consumption of alcoholic beverages were found in this population. The cytogenetic analysis showed 16.6% (10/60) of workers with a high frequency of chromosomal abnormalities (>10 chromosomal abnormalities per 1,000 metaphases). Translocations were the most frequently observed chromosome aberration. The statistical analysis revealed highly significant differences in skin color (p = 0.002) and a weak significant differences in gender (p = 0.052) distribution between the two groups. Conclusion 16.6% of the studied population showed elevated frequencies of chromosomal abnormalities, which is highly likely to be correlated with their exposure to BTX during their work. Therefore, further studies are needed for better characterize the work associated damage of the genome in

  12. Benzene

    Integrated Risk Information System (IRIS)

    EPA / 635 / R - 02 / 001F TOXICOLOGICAL REVIEW OF BENZENE ( NONCANCER EFFECTS ) ( CAS No . 71 - 43 - 2 ) In Support of Summary Information on the Integrated Risk Information System ( IRIS ) October 2002 U.S . Environmental Protection Agency Washington , DC DISCLAIMER This document has been reviewed

  13. Survival and reproduction of some blue-green and green algae as affected by sewage water, fertilizer factory effluent, brassica oil, phenol, toluene and benzene.

    PubMed

    Agrawal, S C; Gupta, S

    2009-01-01

    Fourteen blue-green and green algae survived for widely different time periods ranging between 22-102 d in control culture medium. Irrespective of their long or short survival period in control cultures, their pro- or eukaryotic nature, their different morphological types or natural habitats, they all survived for a short time period ranging between 3-8 d in sewage water, 5-10 d in fertilizer factory effluent, (1/4)-2 d in brassica oil, (1/2)-2 d in phenol, 1-3 d in toluene, and 1-4 d in benzene (showing the relative toxicity of different chemicals to different algae, and the antialgal nature of brassica oil). Dilution decreased the toxicity of these agents very little, indicating that they all were very toxic to algae. None of the agent induced the formation of any reproductive or dormant cells. Sewage water, fertilizer factory effluent, brassica oil and/or benzene favored the formation of necridia cells in Phormidium bohneri, P. foveolarum, Microcoleus chthonoplastes, Lyngbya birgei, and L. major filaments. Scenedesmus quadricauda shed off all spines earlier, Hormidium flaccidum fragmented less or not at all, Scytonema millei formed no false branch and heterocyst, Aphanothece pallida and Gloeocapsa atrata cells did not divide, Cosmarium granatum cells did not form any zygospore and Oedogonium sp. not any oogonia-like cells under all or most of treatments with 25-100 % sewage water, 1-100 % fertilizer factory effluent, 1-100 % brassica oil, 25-100 % phenol, toluene and benzene.

  14. Excess properties for 1-butanethiol + heptane, + cyclohexane, + benzene, and + toluene. 2. Excess molar enthalpies at 283.15, 298.15, and 333.15 K

    SciTech Connect

    Allred, G.C.; Beets, J.W.; Parrish, W.R.

    1995-09-01

    Thiols (mercaptans) are industrially important because of their occurrence in petroleum, their use as chemical intermediates, and their involvement in environmental problems. Excess molar enthalpies of binary mixtures of 1-butanethiol + heptane, + cyclohexane, + benzene, or + toluene have been determined at 283.15, 298.15, 333.15 K with a flow mixing calorimeter, and at 283.15 and 298.15 K with a titration calorimeter. Partial molar enthalpies have been derived from the titration calorimetric results. Where results were obtained by both methods, they were combined to obtain the best estimate of excess enthalpy for all compositions. Equimolar excess enthalpies for 1-butanethiol + heptane or + cyclohexane are endothermic and are comparable to the equimolar excess enthalpies for 1-butanol + heptane or + cyclohexane. Excess enthalpies of 1-butanethiol + alkane systems, which is contrary to the trend observed in 1-butanol + aromatic systems compared to 1-butanol + alkane systems. The excess enthalpy of 1-butanethiol + toluene is weakly exothermic.

  15. Synthesis and characterization of composite polymer, polyethylene glycol grafted flower-like cupric nano oxide for solid phase microextraction of ultra-trace levels of benzene, toluene, ethyl benzene and o-xylene in human hair and water samples.

    PubMed

    Sarafraz-Yazdi, Ali; Zendegi-Shiraz, Amene; Es'haghi, Zarrin; Hassanzadeh-Khayyat, Mohammad

    2015-10-30

    In this research, poly (ethylene glycol)-poly (ethylene glycol) grafted flower-like cupric oxidenano particles (PEG-PEG-g-CuO NPs) as a novel fiber coating of solid-phase microextraction (SPME) were synthesized by using sol-gel technology. This fiber was successfully applied to extract and determine the ultra-trace levels of benzene, toluene, ethyl benzene and o-xylene in human hair using head space-solid-phase microextraction (HS-SPME) coupled to gas chromatography-flame ionization detector. Characterization and chemical composition of the nano particle was performed by Fourier transform infrared spectroscopy (FT-IR), energy dispersion spectroscopy (EDS) and back scatter analysis (BSA). These methods confirmed the successful fabrication of PEG-g-CuO NPs. The surface morphology of the fibers were inspected by scanning electron microscopy. The scanning electron microscopy (SEM) revealed many "crack-like" features and highly porous structure on the surface of fiber. The synthesized nanocomposites were used for preconcentration and extraction of benzene, toluene, ethyl benzene and o-xylene (BTEX). The effects of operating parameters such as: desorption temperature and time, extraction temperature, extraction time, stirring speed and salt effect were investigated and optimized. Under the optimal conditions, the method detection limits and the limits of quantification were between 0.00025-50.00000pgmL(-1) and 0.00200-200.00000pgmL(-1), respectively. Linearity was observed over a range 0.00200-200000.00000pgmL(-1). The relative standard deviations for one fiber (repeatability; n=5) were obtained from 3.30 up to 5.01% and between fibers or batch to batch (n=3; reproducibility) in the range of 3.63-6.21%. The developed method was successfully applied to simultaneous determination of BTEX in human hairs, tap water and distillate water.

  16. Induction of hsp70, hsp60, hsp83 and hsp26 and oxidative stress markers in benzene, toluene and xylene exposed Drosophila melanogaster: Role of ROS generation

    SciTech Connect

    Singh, Mahendra Pratap; Reddy, M.M. Krishna.; Mathur, N.; Saxena, D.K.; Chowdhuri, D. Kar

    2009-03-01

    Exposure to benzene, toluene and xylene in the human population may pose a health risk. We tested a working hypothesis that these test chemicals cause cellular toxicity to a non-target organism, Drosophila melanogaster. Third instar larvae of D. melanogaster transgenic for hsp70, hsp83 and hsp26 and Oregon R{sup +} strain were exposed to 1.0-100.0 mM benzene, toluene and xylene for 2-48 h to examine the heat shock proteins (hsps), ROS generation, anti-oxidant stress markers and developmental end points. The test chemicals elicited a concentration- and time-dependent significant (p < 0.01) induction of the hsps in the exposed organism in the order of hsp70 > hsp83 {>=} hsp26 as evident by {beta}-galactosidase activity after 24 h. RT-PCR amplification studies in Oregon R{sup +} larvae revealed a similar induction pattern of these genes along with hsp60 in the order of hsp70 > hsp60 > hsp26 {>=} hsp83. Under similar experimental conditions, a significant induction of ROS generation and oxidative stress markers viz. superoxide dismutase, catalase, glutathione S-transferase, thioredoxin reductase, glutathione, malondialdehyde and protein carbonyl content was observed. Sub-organismal response was propagated towards organismal response i.e., a delay in the emergence of flies and their reproductive performance. While hsp70 was predominantly induced in the organism till 24 h of treatment with the test chemicals, a significant or insignificant regression of Hsp70 after 48 h was concurrent with a significant induction (p < 0.01) of hsp60 > hsp83 {>=} hsp26 in comparison to the former. A significant positive correlation was observed between ROS generation and these hsps in the exposed organism till 24 h and a negative correlation between ROS generation and hsp70 in them after 48 h indicating a modulatory role of ROS in the induction of hsps. The study suggests that among the tested hsps, hsp70 may be used as an early bioindicator of cellular toxicity against benzene, toluene

  17. Absorption of ethanol, acetone, benzene and 1,2-dichloroethane through human skin in vitro: a test of diffusion model predictions

    SciTech Connect

    Gajjar, Rachna M.; Kasting, Gerald B.

    2014-11-15

    The overall goal of this research was to further develop and improve an existing skin diffusion model by experimentally confirming the predicted absorption rates of topically-applied volatile organic compounds (VOCs) based on their physicochemical properties, the skin surface temperature, and the wind velocity. In vitro human skin permeation of two hydrophilic solvents (acetone and ethanol) and two lipophilic solvents (benzene and 1,2-dichloroethane) was studied in Franz cells placed in a fume hood. Four doses of each {sup 14}C-radiolabed compound were tested — 5, 10, 20, and 40 μL cm{sup −2}, corresponding to specific doses ranging in mass from 5.0 to 63 mg cm{sup −2}. The maximum percentage of radiolabel absorbed into the receptor solutions for all test conditions was 0.3%. Although the absolute absorption of each solvent increased with dose, percentage absorption decreased. This decrease was consistent with the concept of a stratum corneum deposition region, which traps small amounts of solvent in the upper skin layers, decreasing the evaporation rate. The diffusion model satisfactorily described the cumulative absorption of ethanol; however, values for the other VOCs were underpredicted in a manner related to their ability to disrupt or solubilize skin lipids. In order to more closely describe the permeation data, significant increases in the stratum corneum/water partition coefficients, K{sub sc}, and modest changes to the diffusion coefficients, D{sub sc}, were required. The analysis provided strong evidence for both skin swelling and barrier disruption by VOCs, even by the minute amounts absorbed under these in vitro test conditions. - Highlights: • Human skin absorption of small doses of VOCs was measured in vitro in a fume hood. • The VOCs tested were ethanol, acetone, benzene and 1,2-dichloroethane. • Fraction of dose absorbed for all compounds at all doses tested was less than 0.3%. • The more aggressive VOCs absorbed at higher levels than

  18. Headspace microdrop analysis--an alternative test method for gasoline diluent and benzene, toluene, ethylbenzene and xylenes in used engine oils.

    PubMed

    Kokosa, John M; Przyjazny, Andrzej

    2003-01-03

    The primary standard test method used for the determination of gasoline diluent in used engine oils is method D 3525-93 of the American Society for Testing and Materials (ASTM), which involves direct injection of used oil onto a packed GC column and flame ionization detection. Recently, we have utilized a new headspace sampling method: headspace solvent microextraction (HSM), for GC and GC-MS analysis of gasoline diluent in used engine oils. High resolution capillary columns can be used without the necessity for the use of inlet cryogenic cooling or expensive sampling interfaces. This analytical method, which we generically refer to as headspace microdrop analysis yields results comparable to those obtained using the ASTM method, with the added benefit that it allows the quantification of individual volatile diluent components, including benzene, toluene, ethylbenzene and the xylenes.

  19. Headspace solid-phase microextraction (HS-SPME) for the determination of benzene, toluene, ethylbenzene, and xylenes (BTEX) in foundry molding sand

    SciTech Connect

    Dungan, R.S.

    2005-07-01

    The use of headspace solid-phase microextraction (HS-SPME) to determine benzene, toluene, ethylbenzene, and xylenes (BTEX) in foundry molding sand, specifically a 'green sand' (clay-bonded sand) was investigated. The BTEX extraction was conducted using a 75 {mu} M carboxen-polydimethylsiloxane (CAR-PDMS) fiber, which was suspended above 10 g of sample. The SPME fiber was desorbed in a gas chromatograph injector port (280{sup o}C for 1 min) and the analytes were characterized by mass spectrometry. The effects of extraction time and temperature, water content, and clay and bituminous coal percentage on HS-SPME of BTEX were investigated. Because green sands contain bentonite clay and carbonaceous material such as crushed bituminous coal, a matrix effect was observed. The detection limits for BTEX were determined to be {lt}= 0.18 ng g{sup -1} of green sand.

  20. Comparative Genomic Analysis and Benzene, Toluene, Ethylbenzene, and o-, m-, and p-Xylene (BTEX) Degradation Pathways of Pseudoxanthomonas spadix BD-a59

    PubMed Central

    Choi, Eun Jin; Jin, Hyun Mi; Lee, Seung Hyeon; Math, Renukaradhya K.; Madsen, Eugene L.

    2013-01-01

    Pseudoxanthomonas spadix BD-a59, isolated from gasoline-contaminated soil, has the ability to degrade all six BTEX (benzene, toluene, ethylbenzene, and o-, m-, and p-xylene) compounds. The genomic features of strain BD-a59 were analyzed bioinformatically and compared with those of another fully sequenced Pseudoxanthomonas strain, P. suwonensis 11-1, which was isolated from cotton waste compost. The genome of strain BD-a59 differed from that of strain 11-1 in many characteristics, including the number of rRNA operons, dioxygenases, monooxygenases, genomic islands (GIs), and heavy metal resistance genes. A high abundance of phage integrases and GIs and the patterns in several other genetic measures (e.g., GC content, GC skew, Karlin signature, and clustered regularly interspaced short palindromic repeat [CRISPR] gene homology) indicated that strain BD-a59's genomic architecture may have been altered through horizontal gene transfers (HGT), phage attack, and genetic reshuffling during its evolutionary history. The genes for benzene/toluene, ethylbenzene, and xylene degradations were encoded on GI-9, -13, and -21, respectively, which suggests that they may have been acquired by HGT. We used bioinformatics to predict the biodegradation pathways of the six BTEX compounds, and these pathways were proved experimentally through the analysis of the intermediates of each BTEX compound using a gas chromatograph and mass spectrometry (GC-MS). The elevated abundances of dioxygenases, monooxygenases, and rRNA operons in strain BD-a59 (relative to strain 11-1), as well as other genomic characteristics, likely confer traits that enhance ecological fitness by enabling strain BD-a59 to degrade hydrocarbons in the soil environment. PMID:23160122

  1. The effect of water presence on the photocatalytic oxidation of benzene, toluene, ethylbenzene and m-xylene in the gas-phase

    NASA Astrophysics Data System (ADS)

    Korologos, Christos A.; Philippopoulos, Constantine J.; Poulopoulos, Stavros G.

    2011-12-01

    In the present work, the gas-solid heterogeneous photocatalytic oxidation of benzene, toluene, ethylbenzene and m-xylene (BTEX) over UV-irradiated titanium dioxide was studied in an annular reactor operated in the CSTR (continuous stirred-tank reactor) mode. GC-FID and GC-MS were used for analysing reactor inlet and outlet streams. Initial BTEX concentrations were in the low parts per million (ppmv) range, whereas the water concentration was in the range of 0-35,230 ppmv and the residence time varied from 50 to 210 s. The effect of water addition on the photocatalytic process showed strong dependence on the type of the BTEX and the water vapour concentration. The increase in residence time resulted in a considerable increase in the conversion achieved for all compounds and experimental conditions. There was a clear interaction between residence time and water presence regarding the effect on conversions achieved. It was established that conversions over 95% could be achieved by adjusting appropriately the experimental conditions and especially the water concentration in the reactor. In all cases, no by-products were detected above the detection limit and carbon dioxide was the only compound detected. Finally, various Langmuir-Hinshelwood kinetic models have been tested in the analysis of the experimental data obtained. The kinetic data obtained confirmed that water had an active participation in the photocatalytic reactions of benzene, toluene, ethylbenzene and m-xylene since the model involving reaction of BTEX and water adsorbed on different active sites yielded the most successful fitting to the experimental results for the first three compounds, whereas the kinetic model based on the assumption that reaction between VOC and water dissociatively adsorbed on the photocatalyst takes place was the most appropriate in the case of m-xylene.

  2. Application of portable gas chromatography-photo ionization detector combined with headspace sampling for field analysis of benzene, toluene, ethylbenzene, and xylene in soils.

    PubMed

    Zhou, You-Ya; Yu, Ji-Fang; Yan, Zeng-Guang; Zhang, Chao-Yan; Xie, Ya-Bo; Ma, Li-Qiang; Gu, Qing-Bao; Li, Fa-Sheng

    2013-04-01

    A method based on headspace (HS) sampling coupling with portable gas chromatography (GC) with photo ionization detector (PID) was developed for rapid determination of benzene, toluene, ethylbenzene, and xylenes (BTEX) in soils. Optimal conditions for HS gas sampling procedure were determined, and the influence of soil organic matter on the recovery of BTEX from soil was investigated using five representative Chinese soils. The results showed that the HS-portable-GC-PID method could be effectively operated at ambient temperature, and the addition of 15 ml of saturated NaCl solution in a 40-ml sampling vial and 60 s of shaking time for sample solution were optimum for the HS gas sampling procedure. The recoveries of each BTEX in soils ranged from 87.2 to 105.1 %, with relative standard deviations varying from 5.3 to 7.8 %. Good linearity was obtained for all BTEX compounds, and the detection limits were in the 0.1 to 0.8 μg kg(-1) range. Soil organic matter was identified as one of the principal elements that affect the HS gas sampling of BTEX in soils. The HS-portable-GC-PID method was successfully applied for field determination of benzene and toluene in soils of a former chemical plant in Jilin City, northeast China. Considering its satisfactory repeatability and reproducibility and particular suitability to be operated in ambient environment, HS sampling coupling with portable GC-PID is, therefore, recommended to be a suitable screening tool for rapid on-site determination of BTEX in soils.

  3. Emulsification liquid-liquid microextraction based on deep eutectic solvent: An extraction method for the determination of benzene, toluene, ethylbenzene and seven polycyclic aromatic hydrocarbons from water samples.

    PubMed

    Khezeli, Tahere; Daneshfar, Ali; Sahraei, Reza

    2015-12-18

    In this study, for the first time, a simple, inexpensive and sensitive method named emulsification liquid-liquid microextraction based on deep eutectic solvent (ELLME-DES) was used for the extraction of benzene, toluene, ethylbenzene (BTE) and seven polycyclic aromatic hydrocarbons (PAHs) from water samples. In a typical experiment, 100μL of DES (as water-miscible extraction solvent) was added to 1.5mL of sample solution containing target analytes. A homogeneous solution was formed immediately. Injection of 100μL of THF (as emulsifier agent) into homogeneous solution provided a turbid state. After extraction, phase separation (aqueous phase/DES rich phase) was performed by centrifugation. DES rich phase was withdrawn by a micro-syringe and submitted to isocratic reverse-phase HPLC with UV detection. Under optimum conditions obtained by response surface methodology (RSM) and desirability function (DF), the calibration graphs were linear in the concentration range from 10 to 200μg/L for benzene, 10-400μg/L for toluene, 1-400μg/L for ethylbenzene, biphenyl, chrysene and fluorene, and 0.1-400μg/L for anthracene, benzo[a]pyrene, phenanthrene and pyrene. The coefficients of determination (r(2)) and limits of detection were 0.9924-0.9997 and 0.02-6.8μg/L, respectively. This procedure was successfully applied to the determination of target analytes in spiked water samples. The relative mean recoveries ranged from 93.1 to 103.3%.

  4. Degradation of benzene, toluene, and xylene isomers by a bacterial consortium obtained from rhizosphere soil of Cyperus sp. grown in a petroleum-contaminated area.

    PubMed

    Ortega-González, Diana Katherine; Zaragoza, Diego; Aguirre-Garrido, José; Ramírez-Saad, Hugo; Hernández-Rodríguez, César; Jan-Roblero, Janet

    2013-11-01

    Increasing contamination of soil and groundwater with benzene, toluene, and xylene (BTX) due to activities of the chemical and oil refinery industry has caused serious environmental damage. Efficient methods are required to isolate and degrade them. Microorganisms associated with rhizosphere soil are considered efficient agents to remediate hydrocarbon contamination. In this study, we obtained a stabilized bacterial consortium from the rhizosphere soil of Cyperus sp. grown in a petroleum-contaminated field in Southern Mexico. This consortium was able to completely degrade BTX in 14 days. Bacteria isolated from the consortium were identified by 16S rRNA gene sequence analysis as Ralstonia insidiosa, Cellulomonas hominis, Burkholderia kururiensis, and Serratia marcescens. The BTX-degradation capacity of the bacterial consortium was confirmed by the detection of genes pheA, todC1, and xylM, which encoded phenol hydroxylase, toluene 1,2-dioxygenase, and xylene monooxygenase, respectively. Our results demonstrate feasibility of BTX biodegradation by indigenous bacteria that might be used for soil remediation in Southern Mexico.

  5. Multivariate optimization of headspace-GC for the determination of monoaromatic compounds (benzene, toluene, ethylbenzene, and xylenes) in waters and wastewaters.

    PubMed

    Carneiro, Patrícia M; Firmino, Paulo Igor M; Costa, Mayara C; Lopes, Alexandre C; Dos Santos, André B

    2014-02-01

    The objective of this study was to optimize, by employing a central composite rotatable design, and validate an analytical method to detect and quantify monoaromatic compounds (benzene, toluene, ethylbenzene, and xylenes) in waters and wastewaters by using headspace extraction followed by GC coupled with photoionization detection. The extraction parameters optimized were: salinity, sample volume, incubation time, and extraction temperature. The results revealed that the sample volume was the most significant parameter in the extraction process, whereas the salinity effect was negligible, which extends the applicability of the analytical method to waters with different salinities. Finally, the studied method was very selective and, at the optimal extraction conditions (15 mL sample volume, 15 min incubation time, and temperature of 70°C), presented excellent repeatability (<4%), linearity (R > 0.999 for each compound), and sensitivity, since very low LODs (0.13-0.48 μg/L) and LOQs (0.43-1.61 μg/L) were achieved.

  6. Evaluation of the solid-phase microextraction fiber coated with single walled carbon nanotubes for the determination of benzene, toluene, ethylbenzene, xylenes in aqueous samples.

    PubMed

    Li, Quanlong; Ma, Xiaoxia; Yuan, Dongxing; Chen, Jinsheng

    2010-04-09

    A solid-phase microextraction (SPME) fiber coated with single walled carbon nanotubes (SWCNTs) was prepared by electrophoretic deposition and treated at 500 degrees C in H(2) stream. In order to evaluate the characteristics of the obtained fiber, it was applied in the headspace solid-phase microextraction (HS-SPME) of benzene, toluene, ethylbenzene and xylenes (BTEX) from water sample and quantification by gas chromatography with flame ionization detection (GC-FID). The results indicated that the thermal treatment with H(2) enhanced the extraction of the SWCNTs fiber for BTEX significantly. Thermal stability and durability of the fiber were also investigated, showing excellent stability up to 350 degrees C and life time over 120 times. In the comparison with the commercial CAR-PDMS fiber, the SWCNTs fiber showed similar and higher extraction efficiencies for BTEX. Under the optimized conditions, the linearity, LODs (S/N=3) and LOQs (S/N=10) of the method based on the SWCNTs fiber were 0.5-50.0, 0.005-0.026 and 0.017-0.088 microg/L, respectively. Repeatability for one fiber (n=3) was in the range of 1.5-5.6% and fiber-to-fiber reproducibility (n=3) was in the range of 4.2-8.3%. The proposed method was successfully applied in the analysis of BTEX compounds in seawater, tap water and wastewater from a paint plant.

  7. New universal, portable and cryogenic sampler for time weighted average monitoring of H2S, NH3, benzene, toluene, ethylbenzene, xylenes and dimethylethylamine.

    PubMed

    Juarez-Galan, Juan M; Valor, Ignacio

    2009-04-10

    A new cryogenic integrative air sampler (patent application number 08/00669), able to overcome many of the limitations in current volatile organic compounds and odour sampling methodologies is presented. The sample is spontaneously collected in a universal way at 15 mL/min, selectively dried (reaching up to 95% of moisture removal) and stored under cryogenic conditions. The sampler performance was tested under time weighted average (TWA) conditions, sampling 100L of air over 5 days for determination of NH(3), H(2)S, and benzene, toluene, ethylbenzene and xylenes (BTEX) in the ppm(v) range. Recovery was 100% (statistically) for all compounds, with a concentration factor of 5.5. Furthermore, an in-field evaluation was done by monitoring the TWA inmission levels of BTEX and dimethylethylamine (ppb(v) range) in an urban area with the developed technology and comparing the results with those monitored with a commercial graphitised charcoal diffusive sampler. The results obtained showed a good statistical agreement between the two techniques.

  8. Dynamics of an Oligotrophic Bacterial Aquifer Community during Contact with a Groundwater Plume Contaminated with Benzene, Toluene, Ethylbenzene, and Xylenes: an In Situ Mesocosm Study†

    PubMed Central

    Hendrickx, Barbara; Dejonghe, Winnie; Boënne, Wesley; Brennerova, Maria; Cernik, Miroslav; Lederer, Tomas; Bucheli-Witschel, Margarete; Bastiaens, Leen; Verstraete, Willy; Top, Eva M.; Diels, Ludo; Springael, Dirk

    2005-01-01

    An in situ mesocosm system was designed to monitor the in situ dynamics of the microbial community in polluted aquifers. The mesocosm system consists of a permeable membrane pocket filled with aquifer material and placed within a polypropylene holder, which is inserted below groundwater level in a monitoring well. After a specific time period, the microcosm is recovered from the well and its bacterial community is analyzed. Using this system, we examined the effect of benzene, toluene, ethylbenzene, and xylene (BTEX) contamination on the response of an aquifer bacterial community by denaturing gradient gel electrophoresis analysis of PCR-amplified 16S rRNA genes and PCR detection of BTEX degradation genes. Mesocosms were filled with nonsterile or sterile aquifer material derived from an uncontaminated area and positioned in a well located in either the uncontaminated area or a nearby contaminated area. In the contaminated area, the bacterial community in the microcosms rapidly evolved into a stable community identical to that in the adjacent aquifer but different from that in the uncontaminated area. At the contaminated location, bacteria with tmoA- and xylM/xylE1-like BTEX catabolic genotypes colonized the aquifer, while at the uncontaminated location only tmoA-like genotypes were detected. The communities in the mesocosms and in the aquifer adjacent to the wells in the contaminated area consisted mainly of Proteobacteria. At the uncontaminated location, Actinobacteria and Proteobacteria were found. Our results indicate that communities with long-term stability in their structures follow the contamination plume and rapidly colonize downstream areas upon contamination. PMID:16000793

  9. Quantification of benzene, toluene, ethylbenzene and o-xylene in internal combustion engine exhaust with time-weighted average solid phase microextraction and gas chromatography mass spectrometry.

    PubMed

    Baimatova, Nassiba; Koziel, Jacek A; Kenessov, Bulat

    2015-05-11

    A new and simple method for benzene, toluene, ethylbenzene and o-xylene (BTEX) quantification in vehicle exhaust was developed based on diffusion-controlled extraction onto a retracted solid-phase microextraction (SPME) fiber coating. The rationale was to develop a method based on existing and proven SPME technology that is feasible for field adaptation in developing countries. Passive sampling with SPME fiber retracted into the needle extracted nearly two orders of magnitude less mass (n) compared with exposed fiber (outside of needle) and sampling was in a time weighted-averaging (TWA) mode. Both the sampling time (t) and fiber retraction depth (Z) were adjusted to quantify a wider range of Cgas. Extraction and quantification is conducted in a non-equilibrium mode. Effects of Cgas, t, Z and T were tested. In addition, contribution of n extracted by metallic surfaces of needle assembly without SPME coating was studied. Effects of sample storage time on n loss was studied. Retracted TWA-SPME extractions followed the theoretical model. Extracted n of BTEX was proportional to Cgas, t, Dg, T and inversely proportional to Z. Method detection limits were 1.8, 2.7, 2.1 and 5.2 mg m(-3) (0.51, 0.83, 0.66 and 1.62 ppm) for BTEX, respectively. The contribution of extraction onto metallic surfaces was reproducible and influenced by Cgas and t and less so by T and by the Z. The new method was applied to measure BTEX in the exhaust gas of a Ford Crown Victoria 1995 and compared with a whole gas and direct injection method.

  10. Simultaneous determination of gasoline oxygenates and benzene, toluene, ethylbenzene and xylene in water samples using headspace-programmed temperature vaporization-fast gas chromatography-mass spectrometry.

    PubMed

    Pérez Pavón, José Luis; del Nogal Sánchez, Miguel; Fernández Laespada, María Esther; Moreno Cordero, Bernardo

    2007-12-14

    A sensitive method is presented for the fast analysis of seven fuel oxygenates (methanol, ethanol, tert-butyl alcohol (TBA), methyl tert-butyl ether (MTBE), ethyl tert-butyl ether (ETBE), tert-amyl methyl ether (TAME) and diisopropyl ether (DIPE)) and benzene, toluene, ethylbenzene and p-xylene (BTEX) in water samples. The applicability of a headspace (HS) autosampler in combination with a GC device equipped with a programmable temperature vaporizer (PTV) and a MS detector is explored. The proposed method achieves a clear improvement in sensitivity with respect to conventional headspace methods due to the use of the PTV. Two different packed liners with materials of different trapping strengths (glass wool and Tenax-TA) were compared. The benefits of using Tenax-TA instead of glass wool as packed material for the measurement of the 11 compounds emerged as better signal-to-noise ratios and hence better detection limits. The proposed method is extremely sensitive. The limits of detection are of the order of ng/L for six of the compounds studied and of the order of microg/L for the rest, with the exception of the most polar and volatile compound: methanol. Precision (measured as the relative standard deviation for a level with an S/N ratio close to 3) was equal to or lower than 15% in all cases. The method was applied to the determination of the analytes in natural matrixes (tap, river and sea water) and the results obtained can be considered highly satisfactory. The methodology has much lower detection limits than the concentration limits proposed in drinking water by the US Environmental Protection Agency (EPA) and the European Union for compounds under regulation.

  11. Automated dynamic headspace organic solvent film microextraction for benzene, toluene, ethylbenzene and xylene. Renewable liquid film as a sampler by a programmable motor.

    PubMed

    Mohammadi, Abdorreza; Alizadeh, Naader

    2006-02-24

    A simple, fast and efficient dynamic headspace-organic solvent film microextraction (DHS-OSFME) method using a new automatic device was developed. The renewable organic films were formed inside a microsyringe barrel using the uniform and repeated movement of the syringe plunger enabled by programmable stirring motor. The plunger speed, number of extraction cycles, and dwell time (stop time after each half round) were controlled by a computer software, which was written by C++ Builder. A theoretical treatment of the DHS-OSFME based on the consecutive first-order process is proposed in this report. A mathematical solution for the dynamic process of the mass transfer was obtained by correlating the variation of analyte concentration in the syringe volume with the plunger speed and the amount of analyte extracted to the OSF. Benzene, toluene, ethylbenzene, and o-xylene (BTEX) were employed as model compounds to assess the extraction procedure and were determined by gas chromatography-flame ionization detection. Of the three organic solvents (1-octanol, benzyl alcohol and n-dodecane) studied as extractants, n-dodecane proved to be the most sensitive solvent for the extraction of these analytes. Several parameters, including the syringe withdrawal rate, dwelling time, number of extraction cycles, sampling volume, sample temperature, and ionic strength of the solution, were investigated for their effects on the extraction performance. The calibration graphs were linear in the range of 0.5-200 ng ml(-1), with the detection limits between 0.18 and 0.35 ng ml(-1). Wastewater samples were extracted by the optimized method, and determined using the standard addition method.

  12. Co-exposure to polycyclic aromatic hydrocarbons, benzene and toluene and their dose-effects on oxidative stress damage in kindergarten-aged children in Guangzhou, China.

    PubMed

    Li, Junnan; Lu, Shaoyou; Liu, Guihua; Zhou, Yuanxiu; Lv, Yanshan; She, Jianwen; Fan, Ruifang

    2015-08-15

    Polycyclic aromatic hydrocarbons (PAHs), benzene and toluene (BT) are ubiquitous toxic pollutants in the environment. Children are sensitive and susceptible to exposure to these contaminants. To investigate the potential oxidative DNA damage from the co-exposure of PAHs and BT in children, 87 children (aged 3-6) from a kindergarten in Guangzhou, China, were recruited. Ten urinary PAHs and four BT metabolites, as well as 8-hydroxy-2'-deoxyguanosine (8-OHdG, a biomarker of oxidative DNA damage)in urine, were determined using a liquid chromatography tandem mass spectrometer. The results demonstrated that the levels of PAHs and BT in children from Guangzhou were 2-30 times higher than those in children from the other countries based on a comparison with recent data from the literature. In particular, the difference is more substantial for pyrene and volatile BT. Co-exposure to PAHs and BT could lead to additive oxidative DNA damage. Significant dose-effects were observed between the sum concentration of urinary monohydroxylated metabolites of PAHs (∑OH-PAHs), the sum concentration of the metabolites of BT (∑BT) and 8-OHdG levels. Every one percent increase in urinary PAHs and BT generated 0.33% and 0.02% increases in urinary 8-OHdG, respectively. We also determined that the urinary levels of PAHs and BT were negatively associated with the age of the children. Moreover, significant differences in the levels of ∑OH-PAHs and ∑BT were determined between 3- and 6-year-old children (p<0.05), which may be caused by different metabolism capabilities or inhalation frequencies. In conclusion, exposure to PAHs or BT could lead to oxidative DNA damage, and 8-OHdG is a good biomarker for indicating the presence of DNA damage. There exists a significant dose-effect relationship between PAH exposure, BT exposure and the concentration of 8-OHdG in urine. Toddlers (3-4 years old) face a higher burden of PAH and BT exposure compared with older children.

  13. Section i: Thermodynamic Properties of Hydrocarbon Radicals, Peroxy Hydrocarbon and Peroxy Chlorohydrocarbon Molecules and Radicals. Section II. Kinetics and Reaction Mechanisms For: (1) Chloroform Pyrolysis and Oxidation; (2) Benzene and Toluene Oxidation Under Atmospheric Conditions.

    NASA Astrophysics Data System (ADS)

    Lay, Tsan-Horng

    1995-01-01

    photooxidation of benzene and other aromatic species in the atmosphere. OH addition to the benzene ring, the subsequent reaction of O_2 with the hydroxyl-2,4-cyclohexadienyl to form hydroxyl -2-peroxy-4-cyclohexenyl (benzene-OH-O_2 adduct), are chemical activation reactions and are a function of both pressure and temperature. The kinetics of these two reaction systems at various pressure & temperatures using a quantum version of Rice-Ramsperger-Kassel theory (QRRK) and a modified strong collision approach are analyzed and calculated. The analogue reaction system of toluene photooxidation is also analyzed. Reaction mechanisms are developed for initial steps of atmospheric oxidation of benzene and toluene, which include reverse reaction rates determined from thermodynamic parameters and microscopic reversibility. The model results show good agreement with the limited available experimental data.

  14. Alkylation of benzene or toluene with MeOH or C{sub 2}H{sub 4} over ZSM-5 or {beta} zeolite: Effect of the zeolite pore openings and of the hydrocarbons involved on the mechanism of alkylation

    SciTech Connect

    Smirniotis, P.G.; Ruckenstein, E.

    1995-05-01

    A comparative study of the alkylation of benzene or toluene with MeOH or C{sub 2}H{sub 4} over a medium (ZSM-5) and a large pore ({beta}) zeolite of comparable acidities was carried out. It was observed that the reaction temperature in combination with the structure of the zeolite plays an important role in the reactions that take place. The maximum yield of either the primary or secondary alkylation products may occur at an intermediate temperature, which is lower over {beta} zeolite. Due to its pore structure, {beta} zeolite favors secondary alkylation reactions and also disproportionation reactions of the generated alkylaromatics to a higher extent than ZSM-5 does. MeOH generates both primary and secondary alkylation products, while C{sub 2}H{sub 4} favors oligomerization reactions, primary alkylation reactions, and particularly, disproportionation reactions. Toluene is more reactive than benzene. The aromatic/alkylating agent molar ratio plays an important role in the relative importance of the reactions that take place. The size of the pores of the zeolite in combination with the sizes of the aromatic hydrocarbons and the alkylating agents employed determines whether the alkylation occurs via a Langmuir-Henshelwood (LH) or Rideal-Eley (RE) mechanism. When a LH mechanism occurs, the alkylation rate passes through a maximum with respect to the concentration of the aromatic hydrocarbon employed; no such maximum occurs for the RE mechanism.

  15. Zeolite/iron oxide composite as sorbent for magnetic solid-phase extraction of benzene, toluene, ethylbenzene and xylenes from water samples prior to gas chromatography⬜mass spectrometry.

    PubMed

    Fernández, Elena; Vidal, Lorena; Canals, Antonio

    2016-08-05

    This study reports a new composite based on ZSM-5 zeolite decorated with iron oxide magnetic nanoparticles as a valuable sorbent for magnetic solid-phase extraction (MSPE). A proposal is made to determine benzene, toluene, ethylbenzene and xylenes (BTEX) as model analytes in water samples using gas chromatography-mass spectrometry. A two-step multivariate optimization strategy, using Plackett⬜Burman and circumscribed central composite designs, was employed to optimize experimental parameters affecting MSPE. The method was evaluated under optimized extraction conditions (i.e., amount of sorbent, 138mg; extraction time, 11min; sample pH, pH of water (i.e., 5.5⬜6.5); eluent solvent volume, 0.5mL; and elution time, 5min), obtaining a linear response from 1 to 100μgL(↙1) for benzene; from 10 to 100μgL(↙1) for toluene, ethylbenzene and o-xylene; and from 10 to 75μgL(↙1) for m,p-xylene. The repeatability of the proposed method was evaluated at a 40μgL(↙1) spiking level and coefficients of variation ranged between 8 and 11% (n=5). Limits of detection were found to be 0.3μgL(↙1) for benzene and 3μgL(↙1) for the other analytes. These values satisfy the current normative of the Environmental Protection Agency and European Union for BTEX content in waters for human consumption. Finally, drinking water, wastewater and river water were selected as real water samples to assess the applicability of the method. Relative recoveries varied between 85% and 114% showing negligible matrix effects.

  16. Validation of an HPLC-MS/MS method for the simultaneous determination of phenylmercapturic acid, benzylmercapturic acid and o-methylbenzyl mercapturic acid in urine as biomarkers of exposure to benzene, toluene and xylenes.

    PubMed

    Sabatini, Laura; Barbieri, Anna; Indiveri, Paolo; Mattioli, Stefano; Violante, Francesco Saverio

    2008-02-15

    A liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed and fully validated, according to U.S. Food and Drug Administration guidance, for the simultaneous determination of phenylmercapturic acid, benzylmercapturic acid and o-methylbenzyl mercapturic acid in human urine as biomarkers of exposure to benzene, toluene and xylenes (BTX). After solid phase extraction and LC separation, samples were analyzed by a triple-quadrupole mass spectrometer operated in negative ion mode, using isotope-labeled analogs as internal standards (ISs). The method meets all the validation criteria required. The limits of detection of the three analytes, ranging from 0.30 to 0.40microgl(-1), and the high throughput make the method suitable for the routine biological monitoring of co-exposure to BTX both in the occupational and environmental settings. The validated method was applied to assess exposure to BTX in a group of 354 urban traffic wardens.

  17. Modeling the formation and reactions of benzene metabolites.

    PubMed

    Golding, Bernard T; Barnes, Martine L; Bleasdale, Christine; Henderson, Alistair P; Jiang, Dong; Li, Xin; Mutlu, Esra; Petty, Hannah J; Sadeghi, Majid M

    2010-03-19

    One or more of the muconaldehyde isomers is a putative product of benzene metabolism. As muconaldehydes are highly reactive dienals and potentially mutagenic they might be relevant to the carcinogenicity of benzene. Muconaldehydes may be derived through the action of a cytochrome P450 mono-oxygenase on benzene oxide-oxepin, which are established metabolites of benzene. Oxidation of benzene oxide-oxepin either by the one-electron oxidant cerium(IV) ammonium nitrate (CAN) or by iron(III) tris(1,10-phenanthroline) hexafluorophosphate in acetone at -78 degrees C or acetonitrile at -40 degrees C gave (E,Z)-muconaldehyde, which was a single diastereoisomer according to analysis by (1)H NMR spectroscopy. Reaction of toluene-1,2-oxide/2-methyloxepin with CAN gave (2E,4Z)-6-oxo-hepta-2,4-dienal. Similarly, the action of CAN on 1,6-dimethylbenzene oxide-2,7-dimethyloxepin gave (3Z,5E)-octa-3,5-diene-2,7-dione. In vivo, benzene oxide-oxepin could suffer one-electron oxidation by cytochrome P450 mono-oxygenase giving (E,Z)-muconaldehyde. The observations presented may be relevant to the toxicology of benzene oxide-oxepin and other arene oxide-oxepins as we have previously shown that (E,Z)-muconaldehyde, analogously to (Z,Z)-muconaldehyde, affords pyrrole adducts with the exocyclic amino groups of the DNA bases adenine and guanine. Independent of their possible toxicological significance, the experiments described provide preparatively useful routes to (E,Z)-muconaldehyde and its congeners. Methods are also described for the trapping and analysis of reactive benzene metabolites, e.g. using the Diels-Alder reaction with the dienophile 4-phenyl-1,2,4-triazoline-3,5-dione to trap arene oxides and with the diene 1,3-diphenylisobenzofuran to trap enals.

  18. Urinary trans-trans muconic acid (exposure biomarker to benzene) and hippuric acid (exposure biomarker to toluene) concentrations in Mexican women living in high-risk scenarios of air pollution.

    PubMed

    Pruneda-Alvarez, Lucía G; Ruíz-Vera, Tania; Ochoa-Martínez, Angeles C; Pérez-Maldonado, Iván N

    2016-12-16

    This study aimed to determine t,t-muconic acid (t,t-MA; exposure biomarker for benzene) and hippuric acid (HA; exposure biomarker for toluene) concentrations in the urine of women living in Mexico. In a cross-sectional study, apparently healthy women (n = 104) were voluntarily recruited from localities with a high risk of air pollution; t,t-MA and HA in urine were quantified using a high-performance liquid chromatography (HPLC) technique. Mean urinary levels of t,t-MA ranged from 680 to 1,310 μg/g creatinine. Mean values of HA ranged from 0.38 to 0.87 g/g creatinine. In conclusion, compared to data recently reported in literature, we found high urinary levels of t,t-MA and HA in assessed women participating in this study. We therefore deem the implementation of a strategy aimed at the reduction of exposure as a necessary measure for the evaluated communities.

  19. A simplified Quick, Easy, Cheap, Effective, Rugged and Safe approach for the determination of trihalomethanes and benzene, toluene, ethylbenzene and xylenes in soil matrices by fast gas chromatography with mass spectrometry detection.

    PubMed

    García Pinto, Carmelo; Herrero Martín, Sara; Pérez Pavón, José Luis; Moreno Cordero, Bernardo

    2011-03-09

    A method based on simplified QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe) extraction followed by large-injection volume-fast gas chromatography and mass spectrometry detection has been developed for the determination of trihalomethanes (chloroform, bromodichloromethane, dibromochloromethane and bromoform) and BTEX (benzene, toluene, ethylbenzene and xylenes) in soil samples. The simplified version of QuEChERS used meets the requirements of the "green chemistry" and provides reliable results with high sample throughput, low solvent consumption, little labour and the use of materials commonly employed in laboratories. The GC device used is equipped with a programmable temperature vaporizer (PTV), with a liner packed with Tenax-TA(®). Using the solvent-vent mode, the PTV allows the injection of large volumes of sample, affording an improvement in the sensitivity of the method. The chromatographic conditions used here allowed the separation of the compounds in less than 5.50 min. Good linearity was obtained for all the target compounds, with highly satisfactory repeatability and reproducibility values. The limits of detection were in the 0.2 to 15 μg kg(-1) range. The method was validated by the analysis of two certified reference materials.

  20. Influence of Soil Components on the Biodegradation of Benzene, Toluene, Ethylbenzene, and o-, m-, and p-Xylenes by the Newly Isolated Bacterium Pseudoxanthomonas spadix BD-a59 ▿

    PubMed Central

    Kim, Jeong Myeong; Le, Ngoc Thuan; Chung, Bok Sil; Park, Jin Ho; Bae, Jin-Woo; Madsen, Eugene L.; Jeon, Che Ok

    2008-01-01

    A bacterium designated strain BD-a59, able to degrade all six benzene, toluene, ethylbenzene, and o-, m-, and p-xylene (BTEX) compounds, was isolated by plating gasoline-contaminated sediment from a gasoline station in Geoje, Republic of Korea, without enrichment, on minimal salts basal (MSB) agar containing 0.01% yeast extract, with BTEX as the sole carbon and energy source. Taxonomic analyses showed that the isolate belonged to Pseudoxanthomonas spadix, and until now, the genus Pseudoxanthomonas has not included any known BTEX degraders. The BTEX biodegradation rate was very low in MSB broth, but adding a small amount of yeast extract greatly enhanced the biodegradation. Interestingly, degradation occurred very quickly in slurry systems amended with sterile soil solids but not with aqueous soil extract. Moreover, if soil was combusted first to remove organic matter, the enhancement effect on BTEX biodegradation was lost, indicating that some components of insoluble organic compounds are nutritionally beneficial for BTEX degradation. Reverse transcriptase PCR-based analysis of field-fixed mRNA revealed expression of the tmoA gene, whose sequence was closely related to that carried by strain BD-a59. This study suggests that strain BD-a59 has the potential to assist in BTEX biodegradation at contaminated sites. PMID:18835999

  1. Simultaneous determination of methyl tert.-butyl ether and its degradation products, other gasoline oxygenates and benzene, toluene, ethylbenzene and xylenes in Catalonian groundwater by purge-and-trap-gas chromatography-mass spectrometry.

    PubMed

    Rosell, Mònica; Lacorte, Sílvia; Ginebreda, Antoni; Barceló, Damià

    2003-05-02

    In Catalonia (northeast Spain), a monitoring program was carried out to determine methyl tert.-butyl ether (MTBE), its main degradation products, tert.-butyl alcohol (TBA), tert.-butyl formate (TBF), and other gasoline additives, the oxygenate dialkyl ethers ethyl tert.-butyl ether, tert.-amyl methyl ether and diisopropyl ether and the aromatic compounds benzene, toluene, ethylbenzene and xylene (BTEX) in 21 groundwater wells that were located near different gasoline point sources (a gasoline spill and underground storage tank leakage). Purge-and-trap coupled to gas chromatography-mass spectrometry was optimised for the simultaneous determination of the above mentioned compounds and enabled to detect concentrations at ng/l or sub-microg/l concentrations. Special attention was given to the determination of polar MTBE degradation products, TBA and TBF, since not much data on method performance and environmental levels are given on these compounds in groundwater. All samples analysed contained MTBE at levels between 0.3 and 70 microg/l. Seven contaminated hot spots were identified with levels up to US Environmental Protection Agency drinking water advisory (20-40 microg/l) and a maximum concentration of 670 microg/l (doubling the Danish suggested toxicity level of 350 microg/l). Samples with high levels of MTBE contained 0.1-60 microg/l of TBA, indicating (but not proving) in situ degradation of parent compound. In all cases, BTEX was at low concentrations or not detected showing less solubility and persistence than MTBE. This fact confirms the suitability of MTBE as a tracer or indicator of long-term gasoline contamination than the historically used BTEX.

  2. A solid phase microextraction coating based on ionic liquid sol-gel technique for determination of benzene, toluene, ethylbenzene and o-xylene in water samples using gas chromatography flame ionization detector.

    PubMed

    Sarafraz-Yazdi, Ali; Vatani, Hossein

    2013-07-26

    Ionic liquid mediated sol-gel sorbents for head-space solid phase microextraction (HS-SPME) were developed for the extraction of benzene, toluene, ethylbenzene and o-xylene (BTEX) compounds from water samples in ultra-trace levels. The analytes were subsequently analyzed with gas chromatography coupled to flame ionization detector (GC-FID). Three different coating fibers were prepared including: poly(dimethylsiloxane) (PDMS), coating prepared from poly(dimethylsiloxane) in the presence of ionic liquid as co-solvent and conditioned at a higher temperature than decomposition temperature of ionic liquid (PDMS-IL-HT) and coating prepared from poly(dimethylsiloxane) in the presence of ionic liquid as co-solvent and conditioned at a lower temperature than decomposition temperature of ionic liquid (PDMS-IL-LT). Prepared fibers demonstrate many advantages such as high thermal and chemical stabilities due to the chemical bonding of the coatings with the silanol groups on the fused-silica surface fiber. These fibers have shown long life time up to 180 extractions. The scanning electron micrographs of the fibers surfaces revealed that addition of ionic liquid into the sol solution during the sol-gel process increases the fiber coating thickness, affects the form of fiber structure and also leaves high pores in the fiber surface that cause high surface area and therefore increases sample capacity of the fibers. The important parameters that affect the extraction efficiency are desorption temperature and time, sample volume, extraction temperature, extraction time, stirring speed and salt effect. Therefore these factors were investigated and optimized. Under optimal conditions, the dynamic linear range with PDMS-IL-HT, PDMS and PDMS-IL-LT fibers were 0.3-200,000; 50-200,000 and 170-150,000pgmL(-1) and the detection limits (S/N=3) were 0.1-2 and 15-200 and 50-500pgmL(-1), and limit of quantifications (S/N=10) were 0.3-8 and 50-700 and 170-1800, respectively. The relative

  3. Anticonvulsant and antipunishment effects of toluene

    SciTech Connect

    Wood, R.W.; Coleman, J.B.; Schuler, R.; Cox, C.

    1984-01-01

    Toluene can have striking acute behavioral effects and is subject to abuse by inhalation. To determine if its actions resemble those of drugs used in the treatment of anxiety (anxiolytics), two sets of experiments were undertaken. Inasmuch as prevention of pentylenetetrazol-induced convulsions is an identifying property of this class of agents, the authors first demonstrated that pretreatment of mice with injections of toluene delayed the onset of convulsive signs and prevented the tonic extension phase of the convulsant activity in a dose-related manner. Injections of another alkyl benzene, m-xylene, were of comparable potency to toluene. Inhalation of toluene delayed the time of death after pentylenetetrazol injection in a manner related to the duration and concentration of exposure; at lower convulsant doses, inhalation of moderate concentrations (EC/sub 58/, 1300 ppm) prevented death. Treatment with a benzodiazepine receptor antagonist (Ro 15-1788) failed to reduce the anticonvulsant activity of inhaled toluene. Anxiolytics also attenuate the reduction in response rate produced by punishment with electric shock. Toluene increased rates of responding suppressed by punishment when responding was maintained under a multiple fixed-interval fixed-interval punishment schedule of reinforcement. Distinct antipunishment effects were observed in rats after 2 hr of exposure to 1780 and 3000 ppm of toluene; the rate-increasing effects of toluene were related to concentration and to time after the termination of exposure. Thus, toluene and m-xylene resemble in several respects clinically useful drugs such as the benzodiazepines. 51 references, 3 figures, 2 tables.

  4. Electronic and Photoelectron Spectroscopy of Toluene

    NASA Astrophysics Data System (ADS)

    Gardner, Adrian M.; Green, Alistair M.; Tame-Reyes, Victor; Wright, Timothy G.

    2012-06-01

    Electronic and photoelectron spectra of toluene are presented and discussed. The utilization of a recently reported scheme for assigning the normal vibrations of substituted benzenes allows these spectra to be compared to those of other molecules with unprecedented clarity. Changes in vibrational activity within a series of substituted benzene molecules will be discussed, specifically the increased rate of intramolecular vibrational energy redistribution observed in molecules where the substituent is a methyl group. A. M. Gardner and T. G. Wright, J. Chem. Phys., 135, 114305 (2011)

  5. Incineration of toluene and chlorobenzene in a laboratory incinerator

    SciTech Connect

    Mao, Z.; Mcintosh, M.J.; Demirgian, J.C.

    1992-01-01

    This paper reports experimental results on the incineration of toluene and chlorobenzene in a small laboratory incinerator. Temperature of the incinerator, excess air ratio and mean residence time were varied to simulate both complete and incomplete combustion conditions. The flue gas was monitored on line using Fourier transform infrared (FTIR) spectroscopy coupling with a heated long path cell (LPC). Methane, toluene, benzene, chlorobenzene, hydrogen chloride and carbon monoxide in the flue gas were simultaneously analyzed. Experimental results indicate that benzene is a major product of incomplete combustion (PIC) besides carbon monoxide in the incineration of toluene and chlorobenzene, and is very sensitive to combustion conditions. This suggests that benzene is a target analyle to be monitored in full-scale incinerators.

  6. {μ-1,3-Bis[(3,5-dimethyl­pyrazol-1-yl)meth­yl]benzene-κ2 N 2:N 2′}di-μ-chlorido-bis­[chloridopalladium(II)] toluene solvate

    PubMed Central

    Omondi, Bernard; Budhai, Asheena; Darkwa, James

    2009-01-01

    In the title complex, [Pd2Cl4(C18H22N4)]·C7H8, each of the two four-coordinated PdII atoms is in a slightly distorted square-planar geometry, defined by one N atom from the ligand, two bridging Cl atoms and one terminal Cl atom. Inter­molecular C—H⋯π inter­actions between the pyrazole ring H atom and the toluene ring stabilize the crystal structure. PMID:21582383

  7. Benzene poisoning

    MedlinePlus

    ... Atlanta, GA. Mirkin DB. Benzene and related aromatic hydrocarbons. In: Shannon MW, Borron SW, Burns MJ, eds. ... PA: Elsevier Saunders; 2007:chap 94. Lee DC. Hydrocarbons. In: Marx JA, Hockberger RS, Walls RM, et ...

  8. Liquid-liquid extraction/headspace/gas chromatographic/mass spectrometric determination of benzene, toluene, ethylbenzene, (o-, m- and p-)xylene and styrene in olive oil using surfactant-coated carbon nanotubes as extractant.

    PubMed

    Carrillo-Carrión, Carolina; Lucena, Rafael; Cárdenas, Soledad; Valcárcel, Miguel

    2007-11-09

    BTEX-S compounds are widely distributed in the environment and can be present in different foodstuffs, including olive oil. Taking into account the risks of the exposure to these compounds, analytical methods for their determination in different matrices are mandatory. In this paper, the use of surfactant-coated multiwalled carbon nanotubes as additive in liquid-liquid extraction is applied for the determination of single-ring aromatic compounds in olive oil samples. After sample treatment, the aqueous extracts are subsequently analyzed by headspace/gas chromatography/mass spectrometry allowing the determination of BTEX-S within ca. 15 min. Each stage of the proposed LLE/HS/GC/MS configuration involves a selectivity enhancement avoiding the interference of other compounds of the sample matrix. Limits of detection were in the range 0.25 ng mL(-1) (obtained for ethylbenzene) and 0.43 ng mL(-1) (for benzene). The repeatability of the proposed method expressed as RSD varied between 1.9% (styrene) and 3.3% (benzene) (n=11).

  9. Toluene formation from coadsorbed methanethiol and benzenethiol on the Ni(III) surface

    SciTech Connect

    Kane, S.M.; Gland, J.L.; Huntley, D.R.

    1996-04-17

    We report our observation of interspecies carbon-carbon bond formation during the reaction of coadsorbed methanethiol and benzenethiol on the Ni(III) surface. Toluene formation has been detected between 250 and 320 K in addition to methane and benzene, the hydrogenolysis products. Increased concentrations of benzenethiolate and methanethiolate, the surface intermediates, increase the amount of toluene formed. Water formation below the toluene formation temperature decreases surface hydrogen, causing toluene yield to increase substantially compared to methane and benzene yield. Toluene increases up to a factor of 20 were observed for high coadsorbed coverages. Together, these results clearly indicate that competition between hydrogen addition and alkylation controls toluene formation. 28 refs., 3 figs.

  10. Anaerobic benzene oxidation via phenol in Geobacter metallireducens.

    PubMed

    Zhang, Tian; Tremblay, Pier-Luc; Chaurasia, Akhilesh Kumar; Smith, Jessica A; Bain, Timothy S; Lovley, Derek R

    2013-12-01

    Anaerobic activation of benzene is expected to represent a novel biochemistry of environmental significance. Therefore, benzene metabolism was investigated in Geobacter metallireducens, the only genetically tractable organism known to anaerobically degrade benzene. Trace amounts (<0.5 μM) of phenol accumulated in cultures of Geobacter metallireducens anaerobically oxidizing benzene to carbon dioxide with the reduction of Fe(III). Phenol was not detected in cell-free controls or in Fe(II)- and benzene-containing cultures of Geobacter sulfurreducens, a Geobacter species that cannot metabolize benzene. The phenol produced in G. metallireducens cultures was labeled with (18)O during growth in H2(18)O, as expected for anaerobic conversion of benzene to phenol. Analysis of whole-genome gene expression patterns indicated that genes for phenol metabolism were upregulated during growth on benzene but that genes for benzoate or toluene metabolism were not, further suggesting that phenol was an intermediate in benzene metabolism. Deletion of the genes for PpsA or PpcB, subunits of two enzymes specifically required for the metabolism of phenol, removed the capacity for benzene metabolism. These results demonstrate that benzene hydroxylation to phenol is an alternative to carboxylation for anaerobic benzene activation and suggest that this may be an important metabolic route for benzene removal in petroleum-contaminated groundwaters, in which Geobacter species are considered to play an important role in anaerobic benzene degradation.

  11. Exposure Evaluation for Benzene, Lead and Noise in Vehicle and Equipment Repair Shops

    SciTech Connect

    Sweeney, Lynn C.

    2013-04-01

    An exposure assessment was performed at the equipment and vehicle maintenance repair shops operating at the U. S. Department of Energy Hanford site, in Richland, Washington. The maintenance shops repair and maintain vehicles and equipment used in support of the Hanford cleanup mission. There are three general mechanic shops and one auto body repair shop. The mechanics work on heavy equipment used in construction, cranes, commercial motor vehicles, passenger-type vehicles in addition to air compressors, generators, and farm equipment. Services include part fabrication, installation of equipment, repair and maintenance work in the engine compartment, and tire and brake services. Work performed at the auto body shop includes painting and surface preparation which involves applying body filler and sanding. 8-hour time-weighted-average samples were collected for benzene and noise exposure and task-based samples were collected for lead dust work activities involving painted metal surfaces. Benzene samples were obtained using 3M™ 3520 sampling badges and were analyzed for additional volatile organic compounds. These compounds were selected based on material safety data sheet information for the aerosol products used by the mechanics for each day of sampling. The compounds included acetone, ethyl ether, toluene, xylene, VM&P naphtha, methyl ethyl ketone, and trichloroethylene. Laboratory data for benzene, VM&P naphtha, methyl ethyl ketone and trichloroethylene were all below the reporting detection limit. Airborne concentrations for acetone, ethyl ether, toluene and xylene were all less than 10% of their occupational exposure limit. The task-based samples obtained for lead dusts were submitted for a metal scan analysis to identify other metals that might be present. Laboratory results for lead dusts were all below the reporting detection limit and airborne concentration for the other metals observed in the samples were less than 10% of the occupational exposure limit

  12. Electrocardiographic effects of toluene in the anesthetized rat.

    PubMed

    Vidrio, H; Magos, G A; Lorenzana-Jimenez, M

    1986-01-01

    The influence of inhalation of near lethal quantities of toluene on some ECG parameters, as well as the possible cardiac sensitizing effect of the solvent, were determined in chloralose-anesthetized rats. These actions were compared with those of its close analogue benzene. Both solvents produced tachycardia; toluene increased the duration of QRS and specially PR, while benzene decreased P wave duration. No other systematic changes in ECG morphology or evidence of arrhythmia were observed. Toluene appeared to decrease the number of ectopic beats induced by epinephrine, in contrast to benzene, which increased it markedly. These results suggest that toluene administered by inhalation up to near lethal doses is devoid of untoward ECG effect in the chloralose-anesthetized rat, its only action being a decrease in intraventricular and particularly AV conduction. It does not share the myocardial sensitizing properties of benzene and in fact appears to elicit some protection from the arrhythmogenic effects of epinephrine, although no definite conclusions as to this action can be derived due to limitations in the experimental model used.

  13. Toluene emissions from plants

    NASA Astrophysics Data System (ADS)

    Heiden, A. C.; Kobel, K.; Komenda, M.; Koppmann, R.; Shao, M.; Wildt, J.

    The emission of toluene from different plants was observed in continuously stirred tank reactors and in field measurements. For plants growing without stress, emission rates were low and ranged from the detection limit up to 2·10-16 mol·cm-2·s-1. Under conditions of stress, the emission rates exceeded 10-14 mol·cm-2·s-1. Exposure of sunflower (Helianthus annuus L. cv. Gigantheus) to 13CO2 resulted in 13C-labeling of the emitted toluene on a time scale of hours. Although no biochemical pathway for the production of toluene is known, these results indicate that toluene is synthesized by the plants. The emission rates of toluene from sunflower are dependent on nutrient supply and wounding. Since α-pinene emission rates are also influenced by these factors, toluene and α-pinene emissions show a high correlation. During pathogen attack on Scots pines (Pinus sylvestris L.) significant toluene emissions were observed. In this case emissions of toluene and α-pinene also show a good correlation. Toluene emissions were also found in field experiments with pines using branch enclosures.

  14. Occupational exposure to benzene in the shoe industry

    SciTech Connect

    Karacic, V.; Skender, L.; Prpic-Majic, D.

    1987-01-01

    In order to determine the possible actual exposure to benzene in the shoe industry from industrially used solvents, glues, and paints containing benzene as a nondeclared constituent, phenol in urine and benzene in blood, as indices of internal exposure to benzene, were measured in workers (N = 33). Since toluene, in contrast to benzene, is declared as a constituent in several glues, toluene in the blood of workers was also analysed. All analyses were performed using gas chromatography. Urine samples were collected on Monday morning (MI) before work and on Wednesday (WI) before and (WII) after work. Venous blood samples were taken on Wednesday only, 1/2 hour after work. There was no difference in the phenol concentrations of MI and WI, while the phenol concentration of WII was about twice as high as that in WI. In all blood samples, benzene was found, as well as toluene, which was about four times higher in comparison with benzene. A correlation (r = 0.465; p less than .01) was found between the difference in pre- and postshift phenol concentrations (WII-WI) in urine and the benzene concentrations in blood. The results presented show that a trace amount of benzene, which is often not declared as a constitutent in industrially used chemicals, could be a source of marked exposure to benzene. It can also be concluded that changes in phenol in urine (if preshift and postshift samples are taken) might be a sufficiently sensitive parameter to assess exposure to benzene even when other data concerning the presence of benzene in the working atmosphere are not available.

  15. Biodegradation of Benzene by Halophilic and Halotolerant Bacteria under Aerobic Conditions

    PubMed Central

    A. Nicholson, Carla; Z. Fathepure, Babu

    2004-01-01

    A highly enriched halophilic culture was established with benzene as the sole carbon source by using a brine soil obtained from an oil production facility in Oklahoma. The enrichment completely degraded benzene, toluene, ethylbenzene, and xylenes within 1 to 2 weeks. Also, [14C]benzene was converted to 14CO2, suggesting the culture's ability to mineralize benzene. Community structure analysis revealed that Marinobacter spp. were the dominant members of the enrichment. PMID:14766609

  16. Polyfunctional catalyst for processiing benzene fractions

    SciTech Connect

    G. Byakov; B.D. Zubitskii; B.G. Tryasunov; I.Ya. Petrov

    2009-05-15

    A by-product of the coke industry is a raw benzene fraction benzene- 1 which may serve as for catalytic processes. The paper reports a study on the influence of the composition and temperatures on the activity and selectivity of NiO-V{sub 2}O{sub 6}-MoO{sub 3}/{gamma}-Al{sub 2}O{sub 3} catalysts and the corresponding binary and tertiary subsystems are studied by a pulse method in model reactions; the hydrodealkylating of toluene and the hydrodesulfurizing of thioprhene. The optimal catalyst composition is established. The new catalyst is compared with industrial catalysts.

  17. Simultaneous determination of polycyclic aromatic hydrocarbons and benzene, toluene, ethylbenzene and xylene in water samples using a new sampling strategy combining different extraction modes and temperatures in a single extraction solid-phase microextraction-gas chromatography-mass spectrometry procedure.

    PubMed

    Bianchin, Joyce Nunes; Nardini, Giuliana; Merib, Josias; Dias, Adriana Neves; Martendal, Edmar; Carasek, Eduardo

    2012-04-13

    This study proposes a new optimization approach for the simultaneous determination of polycyclic aromatic hydrocarbons (PAHs) and benzene, toluene, ethylbenzene and xylene isomers (BTEX) from water samples using the solid-phase microextraction technique followed by gas chromatography-mass spectrometry (GC-MS) separation and detection. The objective of the study was to achieve compromise extraction conditions, suitable for all semi-volatile and volatile compounds, under which the amount extracted is maximized for all analytes. This was achieved by careful optimization of the fiber coating, salting-out effect, extraction time and temperature and extraction mode (headspace or direct immersion). With the optimized fiber coating - PDMS/DVB 65 μm - the other selected factors were optimized using a response surface methodology through central composite designs. As expected, the optimized results for each class of analytes varied significantly, probably due to the differences in their volatility and the equilibrium constants for the analyte/fiber coating. In order to overcome this issue, a new optimization approach was proposed based on a combination of extraction modes and extraction temperatures in a single extraction procedure. The final optimized procedure was: 48 min of extraction in direct immersion mode with the sample maintained at 80 °C followed by a further 32 min of headspace extraction with the sample temperature kept at 10 °C. The proposed procedure was compared with conventional methods based on the use of a single extraction mode and temperature (80 min of headspace extraction at 60 °C or 80 min of direct immersion extraction at 50 °C). The newly proposed method was shown to be more attractive as it extracted higher amounts of both semi-volatile and volatile compounds in a single extraction procedure compared to the conventional approaches. The optimized method was validated and excellent results were obtained.

  18. Highly selective GaN-nanowire/TiO2-nanocluster hybrid sensors for detection of benzene and related environment pollutants.

    PubMed

    Aluri, Geetha S; Motayed, Abhishek; Davydov, Albert V; Oleshko, Vladimir P; Bertness, Kris A; Sanford, Norman A; Rao, Mulpuri V

    2011-07-22

    Nanowire-nanocluster hybrid chemical sensors were realized by functionalizing gallium nitride (GaN) nanowires (NWs) with titanium dioxide (TiO(2)) nanoclusters for selectively sensing benzene and other related aromatic compounds. Hybrid sensor devices were developed by fabricating two-terminal devices using individual GaN NWs followed by the deposition of TiO(2) nanoclusters using RF magnetron sputtering. The sensor fabrication process employed standard microfabrication techniques. X-ray diffraction and high-resolution analytical transmission electron microscopy using energy-dispersive x-ray and electron energy-loss spectroscopies confirmed the presence of the anatase phase in TiO(2) clusters after post-deposition anneal at 700 °C. A change of current was observed for these hybrid sensors when exposed to the vapors of aromatic compounds (benzene, toluene, ethylbenzene, xylene and chlorobenzene mixed with air) under UV excitation, while they had no response to non-aromatic organic compounds such as methanol, ethanol, isopropanol, chloroform, acetone and 1,3-hexadiene. The sensitivity range for the noted aromatic compounds except chlorobenzene were from 1% down to 50 parts per billion (ppb) at room temperature. By combining the enhanced catalytic properties of the TiO(2) nanoclusters with the sensitive transduction capability of the nanowires, an ultra-sensitive and selective chemical sensing architecture is demonstrated. We have proposed a mechanism that could qualitatively explain the observed sensing behavior.

  19. Modifications in the metabolism and myeloclastogenic effect of benzene

    SciTech Connect

    Gad-El Karim, M.M.; Harper, B.L.; Ramanujam, S.V.M.; Legator, M.S.

    1982-02-01

    Benzene was studied in its target organ of effect, the bone marrow, with the micronucleus test and metaphase analysis. In a series of experiments, male and female CD-1 mice were subjected to various pretreatments: phenobarbital (PB) (0.1% in drinking water x 7 days or 80 mg/kg/day (I.P.) x 3 days before treatment), 3-methylcholanthrene (3-MCA) (30 mg/kg/day (I.P.) x 2 days), SKF-525A (80 mg/kg (I.P.) 2 hours before each treatment dose), or Aroclor-1254 (100 mg/kg) (I.P.) once, 5 days before treatment. The animals were then treated with benzene (440 or 880 mg/kg) or toluene (860 or 1720 mg/kg) or their mixture in 2 doses 24 hours apart and sacrificed 6 hours or 24 hours after the second dose. Toluene showed no clastogenic activity and reduced the clastogenic effect of benzene when the mixture was given. None of the pretreatments protected against the clastogenic effect of benzene. 3-MCA pretreatment caused a tremendous enhancement of benzene myeloclastogenicity. The sex difference, with females constantly more resistant than males to benzene, was retained among the 3-MCA pretreated group. Toluene, in mixture with benzene, lowered the clastogenic effect in 3-MCA pretreated mice. Dose-response curves with benzene treatment alone and with 3-MCA induced groups were generated in which the former curve was lower for each dose than the latter. Urine fractions were collected at 12-hour intervals from 3-groups of 10 males gavaged with benzene, either non-induced, PB- or 3MCA induced. Catechol was the major metabolite, phenol the minor one, and hydroquinone and semiquinones were present in trace amounts.

  20. Fate of acetone in water

    USGS Publications Warehouse

    Rathbun, R.E.; Stephens, D.W.; Shultz, D.J.

    1982-01-01

    The physical, chemical, and biological processes that might affect the concentration of acetone in water were investigated in laboratory studies. Processes considered included volatilization, adsorption by sediments, photodecomposition, bacterial degradation, and absorption by algae and molds. It was concluded that volatilization and bacterial degradation were the dominant processes determining the fate of acetone in streams and rivers. ?? 1982.

  1. Effect of isobutanol on toluene biodegradation in nitrate amended, sulfate amended and methanogenic enrichment microcosms.

    PubMed

    Jayamani, Indumathy; Cupples, Alison M

    2013-09-01

    Isobutanol is an alternate fuel additive that is being considered because of economic and lower emission benefits. However, future gasoline spills could result in co-contamination of isobutanol with gasoline components such as benzene, toluene, ethyl-benzene and xylene. Hence, isobutanol could affect the degradability of gasoline components thereby having an effect on contaminant plume length and half-life. In this study, the effect of isobutanol on the biodegradation of a model gasoline component (toluene) was examined in laboratory microcosms. For this, toluene and isobutanol were added to six different toluene degrading laboratory microcosms under sulfate amended, nitrate amended or methanogenic conditions. While toluene biodegradation was not greatly affected in the presence of isobutanol in five out of the six different experimental sets, toluene degradation was completely inhibited in one set of microcosms. This inhibition occurred in sulfate amended microcosms constructed with inocula from wastewater treatment plant activated sludge. Our data suggest that toluene degrading consortia are affected differently by isobutanol addition. These results indicate that, if co-contamination occurs, in some cases the in situ half-life of toluene could be significantly extended.

  2. Recycling of acetone by distillation

    SciTech Connect

    Brennan, D.L.; Campbell, B.A.; Phelan, J.E.; Harper, M.

    1992-09-01

    The Resource Conservation Recovery Act (RCRA) identifies spent acetone solvent as a listed hazardous waste. At Fernald, acetone has been spent that has been contaminated with radionuclides and therefore is identified as a mixed hazardous waste. At the time of this publication there is no available approved method of recycling or disposal of radioactively contaminated spent acetone solvent. The Consent Decree with the Ohio EPA and the Consent Agreement with the United States EPA was agreed upon for the long-term compliant storage of hazardous waste materials. The purpose of this project was to demonstrate the feasibility for safely decontaminating spent acetone to background levels of radioactivity for reuse. It was postulated that through heat distillation, radionuclides could be isolated from the spent acetone.

  3. A novel solid-phase microextraction using coated fiber based sol-gel technique using poly(ethylene glycol) grafted multi-walled carbon nanotubes for determination of benzene, toluene, ethylbenzene and o-xylene in water samples with gas chromatography-flame ionization detector.

    PubMed

    Sarafraz-Yazdi, Ali; Amiri, Amirhassan; Rounaghi, Gholamhossein; Hosseini, Hossein Eshtiagh

    2011-08-26

    In this study, poly(ethylene glycol) (PEG) grafted onto multi-walled carbon nanotubes (PEG-g-MWCNTs) were synthesized by the covalent functionalization of MWCNTs with hydroxyl-terminated PEG chains. For the first time, functionalized product of PEG-g-MWCNTs was used as selective stationary phase to prepare the sol-gel solid-phase microextraction (SPME) fiber in combination with gas chromatography-flame ionization detector (GC-FID) for the determination of ultra-trace levels of benzene, toluene, ethylbenzene and o-xylene (BTEX) in real water samples. The PEG-g-MWCNTs were characterized by Fourier transform infrared spectra and also thermo-gravimetric analysis, which verified that PEG chains were grafted onto the surface of the MWCNTs. The scanning electron micrographs of the fiber surface revealed a highly porous structure which greatly increases the surface area for PEG-g-MWCNTs sol-gel coating. This fiber demonstrated many inherent advantages, the main being the strong anchoring of the coating to the fused silica resulting from chemical bonding with the silanol groups on the fused-silica fiber surface. The new PEG-g-MWCNTs sol-gel fiber is simple to prepare, robust, with high thermal stability and long lifetime, up to 200 extractions. Important parameters influencing the extraction efficiency such as desorption temperature and time, extraction temperature, extraction time, stirring speed and salt effect were investigated and optimized. Under the optimal conditions, the method detection limits (S/N=3) were in the range of 0.6-3 pg mL(-1) and the limits of quantification (S/N=10) between 2 and 10 pg mL(-1). The relative standard deviations (RSDs) for one fiber (repeatability) (n=5) were obtained from 4.40 up to 5.75% and between fibers or batch to batch (n=3) (reproducibility) in the range of 4.31-6.55%. The developed method was successfully applied to real water samples while the relative recovery percentages obtained for the spiked water samples at 20 pg mL(-1

  4. Modifications in the metabolism and myeloclastogenic effect of benzene

    SciTech Connect

    Gad-El-Karim, M.; Harper, B.L.; Sadagopa Ramanujam, V.M.; Legator, M.S.

    1982-01-01

    Toxicity of benzene was studied in the bone marrow with the micronucleus test and metaphase analysis. Male and female CD-1 mice were subjected to pretreatments with phenobarbital, 3-methylcholanthrene (3-MCA), SKF-525A, or Aroclor-1254. The animals were then treated with benzene (440 or 880 mg/kg), or toluene (860 or 1720 mg/kg), or their mixture by gavage or I.P. in 2 doses 24 hours apart and sacrificed 6 hours or 24 hours after the second dose. Toluene showed no clastogenic activity and reduced the clastogenic effect of benzene when mixture was given. None of the pretreatments protected against the clastogenic effect of benzene. 3-MCA pretreatment caused a tremendous enhancement of benzene myeloclastogenicity. Dose-response curves with benzene treatment alone and with 3-MCA induced groups were generated. Urine fractions were collected from animals gavaged with benzene, either non-induced, PB- or 3MCA induced. The metabolites were quantitated by HPLC, and confirmed by GC/MS.

  5. Direct Link between Toluene Degradation in Contaminated-Site Microcosms and a Polaromonas Strain ▿

    PubMed Central

    Sun, Weimin; Xie, Shuguang; Luo, Chunling; Cupples, Alison M.

    2010-01-01

    Stable isotope probing (SIP) was used to identify the aerobic toluene-degrading microorganism in soil microcosms. Several approaches (terminal restriction fragment length polymorphism, 16S rRNA gene sequencing, and quantitative PCR) provided evidence that the microorganism responsible was a member of the genus Polaromonas and could grow on toluene. This microorganism also transformed benzene, but not m-xylene or cis-dichloroethene. PMID:20008173

  6. Oxidative sulfonation of benzene

    SciTech Connect

    Kashnikova, L.V.; Golodov, V.A.; Vozdvizhenskii, V.F.; Levintova, T.D.

    1988-02-10

    The oxidative sulfonation of benzene with sulfur dioxide was studied in the presence of copper(II) chloride. The relation of the reaction rate to the amount of sulfur dioxide absorbed and the relation of the initial reaction rate to the benzene concentration is shown. With rise in benzene concentration, the initial reaction rate rose linearly and the amount of SO/sub 2/ absorbed remained practically constant. A mechanism was proposed that included the stage of the successive formation of an intermediate containing Cu(II) with benzene and sulfur dioxide and its subsequent redox breakdown to the final products as a result of attack by a Cu(II) benzene complex.

  7. Critical issues in benzene toxicity and metabolism: The effect of interactions with other organic chemicals on risk assessment

    SciTech Connect

    Medinsky, M.A.; Schlosser, P.M.; Bond, J.A.

    1994-11-01

    Benzene, an important industrial solvent, is also present in unleaded gasoline and cigarette smoke. The hematotoxic effects of benzene are well documented and include aplastic anemia and pancytopenia. Some individuals exposed repeatedly to cytotoxic concentrations of benzene develop acute myeloblastic anemia. It has been hypothesized that metabolism of benzene is required for its toxicity, although administration of no single benzene metabolite duplicates the toxicity of benzene. Several investigators have demonstrated that a combination of metabolites (hydroquinone and phenol, for example) is necessary to duplicate the hematotoxic effect of benzene. Enzymes implicated in the metabolic activation of benzene and its metabolites include the cytochrome P450 monooxygenases and myeloperoxidase. Since benzene and its hydroxylated metabolites (phenol, hydroquinone, and catechol) are substrates for the same cytochrome P450 enzymes, competitive interactions among the metabolites are possible. In vivo data on metabolite formation by mice exposed to various benzene concentrations are consistent with competitive inhibition of phenol oxidation by benzene. Other organic molecules that are substrates for cytochrome P450 can inhibit the metabolism of benzene. For example, toluene has been shown to inhibit the oxidation of benzene in a noncompetitive manner. Enzyme inducers, such as ethanol, can alter the target tissue dosimetry of benzene metabolites by inducing enzymes responsible for oxidation reactions involved in benzene metabolism. 24 refs., 6 figs., 2 tabs.

  8. Production of Jet Fuels from Coal Derived Liquids. Volume 5. Recovery of Benzene/Benzene Plus Phenol From the Great Plains Gasification Plant Crude Phenol Stream

    DTIC Science & Technology

    1988-05-01

    GPGP Crude Phenol Results - Benzene and Phenol Yields ...... 21 5 GPGP Crude Phenol Results - Cresol, Xylenol and Ethylphenol 22 6 GPGP Crude Phenol...Results - Toluene, Xylene and Ethylbenzene 23 7 GPGP Crude Phenol Results - CI-C 3 Gas Yields ............... 24 8 GPGP Crude Phenol Results - CO, CO2...and Total Gas Yields ... 25 9 GPGP Crude Phenol Results - Hydrogen Consumption ........... 26 10 GPGP Cut Phenol Results - Benzene and Phenol Yields

  9. Degradative capacities and bioaugmentation potential of an anaerobic benzene-degrading bacterium strain DN11

    SciTech Connect

    Yuki Kasai; Yumiko Kodama; Yoh Takahata; Toshihiro Hoaki; Kazuya Watanabe

    2007-09-15

    Azoarcus sp. strain DN11 is a denitrifying bacterium capable of benzene degradation under anaerobic conditions. The present study evaluated strain DN11 for its application to bioaugmentation of benzene-contaminated underground aquifers. Strain DN11 could grow on benzene, toluene, m-xylene, and benzoate as the sole carbon and energy sources under nitrate-reducing conditions, although o- and p-xylenes were transformed in the presence of toluene. Phenol was not utilized under anaerobic conditions. Kinetic analysis of anaerobic benzene degradation estimated its apparent affinity and inhibition constants to be 0.82 and 11 {mu}M, respectively. Benzene-contaminated groundwater taken from a former coal-distillation plant site in Aichi, Japan was anaerobically incubated in laboratory bottles and supplemented with either inorganic nutrients (nitrogen, phosphorus, and nitrate) alone, or the nutrients plus strain DN11, showing that benzene was significantly degraded only when DN11 was introduced. Denaturing gradient gel electrophoresis of PCR-amplified 16S rRNA gene fragments, and quantitative PCR revealed that DN11 decreased after benzene was degraded. Following the decrease in DN11 16S rRNA gene fragments corresponding to bacteria related to Owenweeksia hongkongensis and Pelotomaculum isophthalicum, appeared as strong bands, suggesting possible metabolic interactions in anaerobic benzene degradation. Results suggest that DN11 is potentially useful for degrading benzene that contaminates underground aquifers at relatively low concentrations. 50 refs., 6 figs., 1 tab.

  10. Degradative capacities and bioaugmentation potential of an anaerobic benzene-degrading bacterium strain DN11.

    PubMed

    Kasai, Yuki; Kodama, Yumiko; Takahata, Yoh; Hoaki, Toshihiro; Watanabe, Kazuya

    2007-09-01

    Azoarcus sp. strain DN11 is a denitrifying bacterium capable of benzene degradation under anaerobic conditions. The present study evaluated strain DN11 for its application to bioaugmentation of benzene-contaminated underground aquifers. Strain DN11 could grow on benzene, toluene, m-xylene, and benzoate as the sole carbon and energy sources under nitrate-reducing conditions, although o- and p-xylenes were transformed in the presence of toluene. Phenol was not utilized under anaerobic conditions. Kinetic analysis of anaerobic benzene degradation estimated its apparent affinity and inhibition constants to be 0.82 and 11 microM, respectively. Benzene-contaminated groundwater taken from a former coal-distillation plant site was anaerobically incubated in laboratory bottles and supplemented with either inorganic nutrients (nitrogen, phosphorus, and nitrate) alone, or the nutrients plus strain DN11, showing that benzene was significantly degraded only when DN11 was introduced. Denaturing gradient gel electrophoresis of PCR-amplified 16S rRNA gene fragments, and quantitative PCR revealed that DN11 decreased after benzene was degraded. Following the decrease in DN11 16S rRNA gene fragments corresponding to bacteria related to Owenweeksia hongkongensis and Pelotomaculum isophthalicum, appeared as strong bands, suggesting possible metabolic interactions in anaerobic benzene degradation. Results suggest that DN11 is potentially useful for degrading benzene that contaminates underground aquifers at relatively low concentrations.

  11. Acclimation of aerobic-activated sludge degrading benzene derivatives and co-metabolic degradation activities of trichloroethylene by benzene derivative-grown aerobic sludge.

    PubMed

    Wang, Shizong; Yang, Qi; Bai, Zhiyong; Wang, Shidong; Wang, Yeyao; Nowak, Karolina M

    2015-01-01

    The acclimation of aerobic-activated sludge for degradation of benzene derivatives was investigated in batch experiments. Phenol, benzoic acid, toluene, aniline and chlorobenzene were concurrently added to five different bioreactors which contained the aerobic-activated sludge. After the acclimation process ended, the acclimated phenol-, benzoic acid-, toluene-, aniline- and chlorobenzene-grown aerobic-activated sludge were used to explore the co-metabolic degradation activities of trichloroethylene (TCE). Monod equation was employed to simulate the kinetics of co-metabolic degradation of TCE by benzene derivative-grown sludge. At the end of experiments, the mixed microbial communities grown under different conditions were identified. The results showed that the acclimation periods of microorganisms for different benzene derivatives varied. The maximum degradation rates of TCE for phenol-, benzoic acid-, toluene-, aniline- and chlorobenzene-grown aerobic sludge were 0.020, 0.017, 0.016, 0.0089 and 0.0047 mg g SS(-1) h(-1), respectively. The kinetic of TCE degradation in the absence of benzene derivative followed Monod equation well. Also, eight phyla were observed in the acclimated benzene derivative-grown aerobic sludge. Each of benzene derivative-grown aerobic sludge had different microbial community composition. This study can hopefully add new knowledge to the area of TCE co-metabolic by mixed microbial communities, and further the understanding on the function and applicability of aerobic-activated sludge.

  12. Conditioned Place Preference to Acetone Inhalation and the Effects on Locomotor Behavior and 18FDG Uptake

    SciTech Connect

    Pai, J.C.; Dewey, S.L.; Schiffer, W.; Lee, D.

    2006-01-01

    Acetone is a component in many inhalants that have been widely abused. While other solvents have addictive potential, such as toluene, it is unclear whether acetone alone contains addictive properties. The locomotor, relative glucose metabolism and abusive effects of acetone inhalation were studied in animals using the conditioned place preference (CPP) paradigm and [18F]2-fluorodeoxy-D-glucose (18FDG) imaging. The CPP apparatus contains two distinct conditioning chambers and a middle adaptation chamber, each lined with photocells to monitor locomotor activity. Adolescent Sprague-Dawley rats (n=16; 90-110 g) were paired with acetone in least preferred conditioning chamber, determined on the pretest day. The animals were exposed to a 10,000 ppm dose for an hour, alternating days with air. A CPP test was conducted after the 3rd, 6th and 12th pairing. In these same animals, the relative glucose metabolism effects were determined using positron emission tomography (PET) imaging with 18FDG. Following the 3rd pairing, there was a significant aversion to the acetone paired chamber (190.9 ± 13.7 sec and 241.7 ± 16.9 sec, acetone and air, respectively). After the 6th pairing, there was no significant preference observed with equal time spent in each chamber (222 ± 21 sec and 207 ± 20 sec, acetone and air-paired, respectively). A similar trend was observed after the 12th pairing (213 ± 21 sec and 221 ± 22 sec, acetone and air-paired, respectively). Locomotor analysis indicated a significant decrease (p<0.05) from air pairings to acetone pairings on the first and sixth pairings. The observed locomotor activity was characteristic of central nervous system (CNS) depressants, without showing clear abusive effects in this CPP model. In these studies, acetone vapors were not as reinforcing as other solvents, shown by overall lack of preference for the acetone paired side of the chamber. PET imaging indicated a regionally specific distribution of 18FDG uptake following

  13. Is toluene diamine a sensitizer and is there cross-reactivity between toluene diamine and toluene diisocyanate?

    PubMed

    Vanoirbeek, Jeroen A J; De Vooght, Vanessa; Synhaeve, Nicholas; Nemery, Benoit; Hoet, Peter H M

    2009-06-01

    Toluene diamine (TDA) is formed when toluene diisocyanate (TDI), a potent sensitizer, comes in contact with an aqueous environment. The sensitizing capacity of TDA and the cross-reactivity between TDI and TDA are unknown. TDA (5-25%) and TDI (0.3%), dissolved in acetone/olive oil (AOO) (4:1) were tested in the mouse local lymph node assay (LLNA). To determine the capacity of TDA to elicit an asthmatic response and to determine the cross-reaction with TDI, a locally developed experimental mouse model of chemical-induced asthma was used. On days 1 and 8, BALB/c mice received 20 microl of TDI (0.3%), TDA (20%), or AOO (4:1) on each ear. On day 15, they received an intranasal instillation of TDI (0.1%), TDA (0.5%) or AOO (3:2). The EC(3) of TDA in the LLNA is 19%. In the model of chemical-induced asthma, TDI induced a ventilatory response [increased Penh after challenge; increased airway hyperreactivity (AHR)], inflammatory changes (bronchoalveolar lavage neutrophils), and immunological changes (increased CD19(+) lymphocytes, IL-4 and total serum IgE), whereas TDA did not show any of these responses. Mice sensitized with TDI and challenged with TDA also did not show any airway or inflammatory response, although they had increased levels of total serum IgE. Mice sensitized with TDA and challenged with TDI did not show any response. According to the classification of sensitizers in the LLNA, TDA is a weak dermal sensitizer. In the experimental mouse model of chemical-induced asthma, TDA does not act as a respiratory sensitizer, at the concentration used. No cross-reactivity between TDI and TDA was found.

  14. Orientational diffusion of the toluene-d 3methyl group in solutions and polymer matrices

    NASA Astrophysics Data System (ADS)

    Stolov, A. A.; Khafizov, F. T.; Kamalova, D. I.; Morozov, A. I.; Remizov, A. B.

    1993-10-01

    IR spectra of solutions of selectively deuterated toluene C 6H 5CD 3 in the region of the asymmetric stretching vibrations of the CD 3 group are studied. Pentane, non-deuterated toluene, dibutyl phthalate, acetone and polymers: polybutadiene (PBD), polypropylene (PP) and polymethyl methacrylate (PMMA) are used as solvents. In order to determine activation enthalpy Δ H* and entropy Δ S* of the orientational diffusion of the CD 3 group the temperature dependencies of the absorption band widths δ of the asymmetric vibrations of this group are studied. An original method of estimating the errors in determining the values Δ H* and Δ S* within Rakov's approach is propsed and checked. The values obtained for Δ H* do not exceed 1 kcal mol -1. No correlation of Δ H* with either the dielectric permittivity or the viscosity of the medium was observed. The glass transition in dibutyl phthalate and PBD, as well as relaxation transitions in PP and PMMA, do not affect the dependence δ =⨍(T).

  15. Anaerobic degradation of benzene by marine sulfate-reducing bacteria

    NASA Astrophysics Data System (ADS)

    Musat, Florin; Wilkes, Heinz; Musat, Niculina; Kuypers, Marcel; Widdel, Friedrich

    2010-05-01

    Benzene, the archetypal aromatic hydrocarbon is a common constituent of crude oil and oil-refined products. As such, it can enter the biosphere through natural oil seeps or as a consequence of exploitation of fossil fuel reservoirs. Benzene is chemically very stable, due to the stabilizing aromatic electron system and to the lack of functional groups. Although the anaerobic degradation of benzene has been reported under denitrifying, sulfate-reducing and methanogenic conditions, the microorganisms involved and the initial biochemical steps of degradation remain insufficiently understood. Using marine sediment from a Mediterranean lagoon a sulfate-reducing enrichment culture with benzene as the sole organic substrate was obtained. Application of 16S rRNA gene-based methods showed that the enrichment was dominated (more than 85% of total cells) by a distinct phylotype affiliated with a clade of Deltaproteobacteria that include degraders of other aromatic hydrocarbons, such as naphthalene, ethylbenzene and m-xylene. Using benzoate as a soluble substrate in agar dilution series, several pure cultures closely related to Desulfotignum spp. and Desulfosarcina spp. were isolated. None of these strains was able to utilize benzene as a substrate and hybridizations with specific oligonucleotide probes showed that they accounted for as much as 6% of the total cells. Incubations with 13C-labeled benzene followed by Halogen in situ Hybridization - Secondary Ion Mass Spectroscopy (HISH-SIMS) analysis showed that cells of the dominant phylotype were highly enriched in 13C, while the accompanying bacteria had little or no 13C incorporation. These results demonstrate that the dominant phylotype was indeed the apparent benzene degrader. Dense-cell suspensions of the enrichment culture did not show metabolic activity toward added phenol or toluene, suggesting that benzene degradation did not proceed through anaerobic hydroxylation or methylation. Instead, benzoate was identified in

  16. Characterization, Degradation, and Reaction Pathways of Indoor Toluene over Visible-light-driven S, Zn Co-doped TiO2

    NASA Astrophysics Data System (ADS)

    Chu, H.; Lin, Y. H.; Lin, C. Y.

    2017-01-01

    Sulfur and Zinc co-doped TiO2 prepared by a sol-gel method to degrade toluene under a fluorescent lamp was investigated. The results indicate that S,Zn co-doped TiO2 photocatalysts are mainly nano-size with an anatase phase structure. The degradation reactions of toluene were performed under various operation conditions. The results show that the toluene conversion increases with increasing toluene concentration and decreasing relative humidity. Based on the results of activity test, S0.05Zn0.001/TiO2 was chosen for further studies. The main oxidation products of toluene photodegradation are CO2, H2O, benzyl alcohol, acetone, butadiene and acetic acid. Two possible mechanisms have been developed for photodegradation of toluene in a dry and a humid environment.

  17. The toxicology of benzene.

    PubMed Central

    Snyder, R; Witz, G; Goldstein, B D

    1993-01-01

    Benzene is metabolized, primarily in the liver, to a series of phenolic and ring-opened products and their conjugates. The mechanism of benzene-induced aplastic anemia appears to involve the concerted action of several metabolites acting together on early stem and progenitor cells, as well as on early blast cells, such as pronormoblasts and normoblasts to inhibit maturation and amplification. Benzene metabolites also inhibit the function of microenvironmental stromal cells necessary to support the growth of differentiating and maturing marrow cells. The mechanism of benzene-induced leukemogenesis is less well understood. Benzene and its metabolites do not function well as mutagens but are highly clastogenic, producing chromosome aberrations, sister chromatid exchange, and micronuclei. Benzene has been shown to be a multi-organ carcinogen in animals. Epidemiological studies demonstrate that benzene is a human leukemogen. There is need to better define the lower end of the dose-response curve for benzene as a human leukemogen. The application of emerging methods in biologically based risk assessment employing pharmacokinetic and mechanistic data may help to clarify the uncertainties in low-dose risk assessment. PMID:8354177

  18. Toluene Diisocyanates (TDI) Action Plan

    EPA Pesticide Factsheets

    This Action Plan addresses the use of toluene diisocyanate (TDI) and related compounds in products that may result in consumer and general population exposures, particularly in or around buildings, including homes and schools.

  19. Benzene contamination at a metal plating facility

    NASA Astrophysics Data System (ADS)

    Memon, B. A.; Burston, M. R.

    2005-08-01

    A metal plating facility in central Kentucky was required to complete a RCRA Facility Investigation to address a number of Solid Waste Management Units at the site. Twenty monitoring wells were installed at the facility. Ground water from the wells was sampled for total and dissolved metals, polychlorinated biphenyls, acid extractable compounds, base neutral compounds, and volatile organic compounds. Unexpectedly, relatively large concentrations of benzene, up to 120 μg/l, were detected in samples from some of the wells, including wells that should have been hydraulically upgradient from the facility. As a result of the detection of benzene, the facility completed an investigation to identify the source. A nearby facility had completed a gasoline underground storage tank (UST) closure at about the time of the installation of the 20 wells. Reportedly the UST had small holes when removed. Three potential pathways of migration (a ditch, sanitary sewer, and a sink hole) from the nearby facility to the metal-plating facility and residual soils with very large concentrations of benzene, toluene, ethylbenzene, and xylenes have been identified.

  20. Toxicological profile for toluene. Update. Final report

    SciTech Connect

    Dorsey, A.S.; Donohue, J.M.

    1994-05-01

    This Statement was prepared to give you information about toluene and to emphasize the human health effects that may result from exposure to it. Toluene has been found in at least 851 of the sites on the NPL. However, the number of NPL sites evaluated for toluene is not known. This information is important because exposure to toluene may cause harmful health effects and because these sites are potential or actual sources of human exposure to toluene.

  1. Benzene Monitor System report

    SciTech Connect

    Livingston, R.R.

    1992-10-12

    Two systems for monitoring benzene in aqueous streams have been designed and assembled by the Savannah River Technology Center, Analytical Development Section (ADS). These systems were used at TNX to support sampling studies of the full-scale {open_quotes}SRAT/SME/PR{close_quotes} and to provide real-time measurements of benzene in Precipitate Hydrolysis Aqueous (PHA) simulant. This report describes the two ADS Benzene Monitor System (BMS) configurations, provides data on system operation, and reviews the results of scoping tests conducted at TNX. These scoping tests will allow comparison with other benzene measurement options being considered for use in the Defense Waste Processing Facility (DWPF) laboratory. A report detailing the preferred BMS configuration statistical performance during recent tests has been issued under separate title: Statistical Analyses of the At-line Benzene Monitor Study, SCS-ASG-92-066. The current BMS design, called the At-line Benzene Monitor (ALBM), allows remote measurement of benzene in PHA solutions. The authors have demonstrated the ability to calibrate and operate this system using peanut vials from a standard Hydragard{trademark} sampler. The equipment and materials used to construct the ALBM are similar to those already used in other applications by the DWPF lab. The precision of this system ({+-}0.5% Relative Standard Deviation (RSD) at 1 sigma) is better than the purge & trap-gas chromatograpy reference method currently in use. Both BMSs provide a direct measurement of the benzene that can be purged from a solution with no sample pretreatment. Each analysis requires about five minutes per sample, and the system operation requires no special skills or training. The analyzer`s computer software can be tailored to provide desired outputs. Use of this system produces no waste stream other than the samples themselves (i.e. no organic extractants).

  2. Catalytic oxidation of toluene in contaminant emission control systems using Mn-Ce/gamma-Al2O3.

    PubMed

    Kim, H-J; Choi, S-W; Inyang, H I

    2008-05-01

    Toluene, the alkyl benzene, is a common constituent of contaminant streams emitted by hydrocarbon fuel combustion systems. The oxidation of toluene to less toxic compounds can be enhanced through catalysis. The capacity of Mn-Ce/gamma-Al2O3 to catalyze toluene oxidation was investigated using a fixed bed flow reactor, operating within a temperature range of 160-400 degrees C. Mono-metallic catalysts were prepared with the manganese and cerium contents of 1-21 wt% on gamma-Al2O3, support and bi-metallic catalysts were prepared with cerium (0.5-21 wt%/) on 18.2 wt% manganese. The results indicate that the 18.2 wt% Mn-10.0 wt% Ce catalyst combination had the best catalytic efficiency for toluene oxidation. Increase in cerium loading reduces the surface area of catalytic materials measured by BET, but increases catalytic activity. Data obtained through TGA (Thermogravimetric analysis), XRD (X-ray diffraction) and toluene-TPR (Temperature Programmed Reduction) measurements show that the reduction of the catalysts in the process of toluene oxidation is directly proportional to observed weight loss under hydrogen flow. From these results, it is concluded that cerium improves the catalytic role of manganese in toluene oxidation. Oxygen mobility is also promoted in a redox mechanism in which MnO2 serves as the active sites. These results are useful in the development of toluene emission control systems for hydrocarbon fuel combustion systems.

  3. Small scale spatial gradients of outdoor and indoor benzene in proximity of an integrated steel plant.

    PubMed

    Licen, Sabina; Tolloi, Arianna; Briguglio, Sara; Piazzalunga, Andrea; Adami, Gianpiero; Barbieri, Pierluigi

    2016-05-15

    Benzene is known as a human carcinogen, whose annual mean concentration exceeded the EU limit value (5 μg/m(3)) only in very few locations in Europe during 2012. Nevertheless 10% to 12% of the EU-28 urban population was still exposed to benzene concentrations above the WHO reference level of 1.7 μg/m(3). WHO recommended a wise choice of monitoring stations positioning in proximity of "hot spots" to define and assess the representativeness of each site paying attention to micro-scale conditions. In this context benzene and other VOCs of health concern (toluene, ethylbenzene, xylenes) concentrations have been investigated, with weekly passive sampling for one year, both in outdoor and indoor air in inhabited buildings in close proximity (180 m far up to 1100 m) of an integrated steel plant in NE of Italy. Even though the outdoor mean annual benzene concentration was below the EU limit in every site, in the site closest to the works the benzene concentration was above 5 μg/m(3) in 14 weeks. These events were related to a benzene over toluene ratio above one, which is diagnostic for the presence of an industrial source, and to meteorological factors. These information pointed at the identification of the coke ovens of the plant as the dominant outdoor source of benzene. Benzene gradients with the increasing distance from coke ovens have been found for both outdoor and indoor air. Linear models linking outdoor to indoor benzene concentrations have been then identified, allowing to estimate indoor exposure from ambient air benzene data. In the considered period, a narrow area of about 250 m appeared impacted at a higher degree than the other sites both considering outdoor and indoor air. Passive BTEX sampling permits to collect information on both ambient air and daily life settings, allowing to assemble a valuable data support for further environmental cost-benefit analyses.

  4. Leukemia in benzene workers.

    PubMed

    Rinsky, R A; Young, R J; Smith, A B

    1981-01-01

    To evaluate the possible association between occupational exposure to benzene and subsequent death from leukemia, the National Institute for Occupational Safety and Health (NIOSH) conducted a retrospective cohort mortality study of workers who had been exposed to benzene in the manufacture of rubber hydrochloride at two locations in Ohio. Ascertainment of vital status was accomplished for 98% of the cohort. Among 748 workers who had at least one day of exposure to benzene between 1940 and 1950, seven deaths from leukemia occurred; from United States death rates standardized for sex, age, and calendar time period, only 1.25 leukemia deaths would have been expected (standardized mortality ratio = 560; p less than 0.001). Mean duration of exposure to benzene was brief, and 437 (58%) of the cohort were exposed for less than 1 year. Evaluation of leukemia mortality for those workers exposed five or more years showed an SMR of 2100. All leukemia deaths were myelocytic or monocytic in cell type. Four additional cases of leukemia have been reorganized in workers at the study locations, but occurred in persons not encompassed by the strict definition of the cohort. Reconstruction of past exposures to benzene at the two locations indicates that in some areas of the plant airborne benzene concentrations rose occasionally to several hundred parts per million (ppm), but that for the most part, employee eight-hour time-weighted averages (TWA) fell within the limits considered permissible at the time of exposure. These data corroborate an initial analysis of the same cohort by Infante et al, and indicate that benzene is a human carcinogen at a range of exposures not greatly above the current legal standard.

  5. 21 CFR 173.210 - Acetone.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Acetone. 173.210 Section 173.210 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN... established for acetone in spice oleoresins when present therein as a residue from the extraction of spice....

  6. 21 CFR 173.210 - Acetone.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Acetone. 173.210 Section 173.210 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN... established for acetone in spice oleoresins when present therein as a residue from the extraction of spice....

  7. Benzene and its methyl-derivatives: derivation of maximum exposure levels in automobiles.

    PubMed

    Schupp, Thomas; Bolt, Hermann M; Jaeckh, Rudolf; Hengstler, Jan G

    2006-01-05

    Automobile drivers are exposed to several organic hydrocarbons. Concentrations measured in passenger compartments have been reported to range between 13 and 560 microg/m(3) for benzene, 33-258 microg/m(3) for toluene, 20-250 microg/m(3) for xylene (mixed isomers) and 3-23 microg/m(3) for trimethylbenzene (mixed isomers). These aromatic hydrocarbons are emitted from gasoline and from materials inside a car. In the present study we evaluated, whether these exposures pose a potential risk to the health of drivers. Therefore, we derived maximum exposure levels inside cars for chronic (ELIA(chronic)) and short-term (STELIA) exposure. The lowest ELIA's(chronic) for benzene, toluene, xylene and trimethylbenzene were 0.083, 1.2, 8.8 and 0.31 mg/m(3), respectively. The respective STELIA's were 16, 30, 29 and 25 mg/m(3). Obviously concentrations of toluene, xylene and trimethylbenzene inside cars do not exceed their individual STELIA's. In contrast, benzene seems to be problematic, since concentrations inside cars amount up to 0.56 mg/m(3), which exceeds the ELIA(chronic) derived for benzene. This should not be underestimated, since benzene is a genotoxic carcinogen that probably acts by non-threshold mechanisms. In conclusion, concentrations of toluene, xylene and trimethylbenzene usually observed inside cars are unlikely to pose a risk to the health of drivers. A systematic toxicological evaluation of the risk associated with benzene exposure in cars seems to be necessary.

  8. Soot precursor measurements in benzene and hexane diffusion flames

    SciTech Connect

    Kobayashi, Y.; Furuhata, T.; Amagai, K.; Arai, M.

    2008-08-15

    To clarify the mechanism of soot formation in diffusion flames of liquid fuels, measurements of soot and its precursors were carried out. Sooting diffusion flames formed by a small pool combustion equipment system were used for this purpose. Benzene and hexane were used as typical aromatic and paraffin fuels. A laser-induced fluorescence (LIF) method was used to obtain spatial distributions of polycyclic aromatic hydrocarbons (PAHs), which are considered as soot particles. Spatial distributions of soot in test flames were measured by a laser-induced incandescence (LII) method. Soot diameter was estimated from the temporal change of LII intensity. A region of transition from PAHs to soot was defined from the results of LIF and LII. Flame temperatures, PAH species, and soot diameters in this transition region were investigated for both benzene and hexane flames. The results show that though the flame structures of benzene and hexane were different, the temperature in the PAHs-soot transition region of the benzene flame was similar to that of the hexane flame. Furthermore, the relationship between the PAH concentrations measured by gas chromatography in both flames and the PAH distributions obtained from LIF are discussed. It was found that PAHs with smaller molecular mass, such as benzene and toluene, remained in both the PAHs-soot transition and sooting regions, and it is thought that molecules heavier than pyrene are the leading candidates for soot precursor formation. (author)

  9. HCCI experiments with toluene reference fuels modeled by a semidetailed chemical kinetic model

    SciTech Connect

    Andrae, J.C.G.; Brinck, T.; Kalghatgi, G.T.

    2008-12-15

    A semidetailed mechanism (137 species and 633 reactions) and new experiments in a homogeneous charge compression ignition (HCCI) engine on the autoignition of toluene reference fuels are presented. Skeletal mechanisms for isooctane and n-heptane were added to a detailed toluene submechanism. The model shows generally good agreement with ignition delay times measured in a shock tube and a rapid compression machine and is sensitive to changes in temperature, pressure, and mixture strength. The addition of reactions involving the formation and destruction of benzylperoxide radical was crucial to modeling toluene shock tube data. Laminar burning velocities for benzene and toluene were well predicted by the model after some revision of the high-temperature chemistry. Moreover, laminar burning velocities of a real gasoline at 353 and 500 K could be predicted by the model using a toluene reference fuel as a surrogate. The model also captures the experimentally observed differences in combustion phasing of toluene/n-heptane mixtures, compared to a primary reference fuel of the same research octane number, in HCCI engines as the intake pressure and temperature are changed. For high intake pressures and low intake temperatures, a sensitivity analysis at the moment of maximum heat release rate shows that the consumption of phenoxy radicals is rate-limiting when a toluene/n-heptane fuel is used, which makes this fuel more resistant to autoignition than the primary reference fuel. Typical CPU times encountered in zero-dimensional calculations were on the order of seconds and minutes in laminar flame speed calculations. Cross reactions between benzylperoxy radicals and n-heptane improved the model predictions of shock tube experiments for {phi}=1.0 and temperatures lower than 800 K for an n-heptane/toluene fuel mixture, but cross reactions had no influence on HCCI simulations. (author)

  10. A detailed kinetic modeling study of toluene oxidation in a premixed laminar flame

    SciTech Connect

    Tian, Z; Pitz, W J; Fournet, R; Glaude, P; Battin-Leclerc, F

    2009-12-18

    An improved chemical kinetic model for the toluene oxidation based on experimental data obtained in a premixed laminar low-pressure flame with vacuum ultraviolet (VUV) photoionization and molecular beam mass spectrometry (MBMS) techniques has been proposed. The present mechanism consists of 273 species up to chrysene and 1740 reactions. The rate constants of reactions of toluene, decomposition, reaction with oxygen, ipso-additions and metatheses with abstraction of phenylic H-atom are updated; new pathways of C{sub 4} + C{sub 2} species giving benzene and fulvene are added. Based on the experimental observations, combustion intermediates such as fulvenallene, naphtol, methylnaphthalene, acenaphthylene, 2-ethynylnaphthalene, phenanthrene, anthracene, 1-methylphenanthrene, pyrene and chrysene are involved in the present mechanism. The final toluene model leads to an overall satisfactory agreement between the experimentally observed and predicted mole fraction profiles for the major products and most combustion intermediates. The toluene depletion is governed by metathese giving benzyl radicals, ipso-addition forming benzene and metatheses leading to C{sub 6}H{sub 4}CH{sub 3} radicals. A sensitivity analysis indicates that the unimolecular decomposition via the cleavage of a C-H bond has a strong inhibiting effect, while decomposition via C-C bond breaking, ipso-addition of H-atom to toluene, decomposition of benzyl radicals and reactions related to C{sub 6}H{sub 4}CH{sub 3} radicals have promoting effect for the consumption of toluene. Moreover, flow rate analysis is performed to illustrate the formation pathways of mono- and polycyclic aromatics.

  11. Leaching of toluene-neoprene adhesive wastes.

    PubMed

    Font, R; Sabater, M C; Martínez, M A

    2001-03-01

    This work consists of the study of the extraction of solvent (toluene) from a polymeric (neoprene) substrate during a leaching process. Total organic carbon (TOC) is the main contaminant parameter in the leaching of these systems due to the solution of the toluene and the dispersion of the polymer. The toxicity of the extracts was measured with a Microtox equipment, using Photobacteria phosphoreum, deducing that the toxicity of the extracts is low due to the low solubility of toluene but that the toxicity of toluene is high. On the basis of the experimental results, the amount of toluene diffused vs time in plane sheet systems was studied. A kinetic model has been developed considering two stages: In the first stage, the toluene diffuses into the system across the neoprene chains at a constant rate, not depending on the initial toluene concentration. This fact is explained by considering that there is a constant difference of the toluene concentration between the interface with the water and the inner part of the sample. In the second stage, the dispersion of the polymer with the corresponding amount of toluene takes place. The diffusion of toluene in the leaching process is compared and analyzed considering the diffusion of toluene in a desorption process in air so that the difference of toluene concentration between the interface and the interior can be estimated. A mathematical model is also proposed for considering the leaching process in other operating conditions.

  12. Leukemia and Benzene

    PubMed Central

    Snyder, Robert

    2012-01-01

    Excessive exposure to benzene has been known for more than a century to damage the bone marrow resulting in decreases in the numbers of circulating blood cells, and ultimately, aplastic anemia. Of more recent vintage has been the appreciation that an alternative outcome of benzene exposure has been the development of one or more types of leukemia. While many investigators agree that the array of toxic metabolites, generated in the liver or in the bone marrow, can lead to traumatic bone marrow injury, the more subtle mechanisms leading to leukemia have yet to be critically dissected. This problem appears to have more general interest because of the recognition that so-called “second cancer” that results from prior treatment with alkylating agents to yield tumor remissions, often results in a type of leukemia reminiscent of benzene-induced leukemia. Furthermore, there is a growing literature attempting to characterize the fine structure of the marrow and the identification of so called “niches” that house a variety of stem cells and other types of cells. Some of these “niches” may harbor cells capable of initiating leukemias. The control of stem cell differentiation and proliferation via both inter- and intra-cellular signaling will ultimately determine the fate of these transformed stem cells. The ability of these cells to avoid checkpoints that would prevent them from contributing to the leukemogenic response is an additional area for study. Much of the study of benzene-induced bone marrow damage has concentrated on determining which of the benzene metabolites lead to leukemogenesis. The emphasis now should be directed to understanding how benzene metabolites alter bone marrow cell biology. PMID:23066403

  13. Modeling benzene permeation through drinking water high density polyethylene (HDPE) pipes.

    PubMed

    Mao, Feng; Ong, Say Kee; Gaunt, James A

    2015-09-01

    Organic compounds such as benzene, toluene, ethyl benzene and o-, m-, and p-xylene from contaminated soil and groundwater may permeate through thermoplastic pipes which are used for the conveyance of drinking water in water distribution systems. In this study, permeation parameters of benzene in 25 mm (1 inch) standard inside dimension ratio (SIDR) 9 high density polyethylene (HDPE) pipes were estimated by fitting the measured data to a permeation model based on a combination of equilibrium partitioning and Fick's diffusion. For bulk concentrations between 6.0 and 67.5 mg/L in soil pore water, the concentration-dependent diffusion coefficients of benzene were found to range from 2.0×10(-9) to 2.8×10(-9) cm2/s while the solubility coefficient was determined to be 23.7. The simulated permeation curves of benzene for SIDR 9 and SIDR 7 series of HDPE pipes indicated that small diameter pipes were more vulnerable to permeation of benzene than large diameter pipes, and the breakthrough of benzene into the HDPE pipe was retarded and the corresponding permeation flux decreased with an increase of the pipe thickness. HDPE pipes exposed to an instantaneous plume exhibited distinguishable permeation characteristics from those exposed to a continuous source with a constant input. The properties of aquifer such as dispersion coefficients (DL) also influenced the permeation behavior of benzene through HDPE pipes.

  14. Acute neurobehavioural effects of toluene.

    PubMed Central

    Echeverria, D; Fine, L; Langolf, G; Schork, A; Sampaio, C

    1989-01-01

    An acute inhalation chamber study of 42 college students was performed to investigate the relation between exposure to 0, 75, and 150 ppm of toluene and changes in central nervous system function and symptoms. Paid subjects were exposed for seven hours over three days. Verbal and visual short term memory (Sternberg, digit span, Benton, pattern memory); perception (pattern recognition); psychomotor skill (simple reaction time, continuous performance, digit symbol, hand-eye coordination, finger tapping, and critical tracking); manual dexterity (one hole); mood (profile of mood scales (POMS]; fatigue (fatigue checklist); and verbal ability were evaluated at 0800, 1200, and 1600 hours. Voluntary symptoms and observations of sleep were collected daily. An analysis of variance and test for trend was performed on the difference and score for each concentration reflecting an eight hour workday where each subject was their own control. A 3 x 3 Latin square study design evaluated toluene effects simultaneously, controlling for learning across the three days and the solvent order. Intersubject variation in solvent uptake was monitored in breath and urine. A 5-10% decrement in performance was considered significant if it was consistent with a linear trend at p less than 0.05. Adverse performance at 150 ppm toluene was found at 6.0% for digit span, 12.1% for pattern recognition (latency), 5.0% for pattern memory (number correct), 6.5% for one hole, and 3.0% for critical tracking. The number of headaches and eye irritation also increased in a dose response manner. The greatest effect was found for an increasing number of observations of sleep. Overall, no clear pattern of neurobehavioural effects was found consistent with the type 1 central nervous system as classified by the World Health Organisation. Subtle acute effects, however, were found just below and above the ACGIH TLV of 100 ppm toluene, supporting the position that the guideline be lowered since the biological

  15. Analysis of the gene cluster encoding toluene/o-xylene monooxygenase from Pseudomonas stutzeri OX1

    SciTech Connect

    Bertoni, G.; Martino, M.; Galli, E.; Barbieri, P.

    1998-10-01

    The toluene/o-xylene monooxygenase cloned from Pseudomonas stutzeri OX1 displays a very broad range of substrates and a very peculiar regioselectivity, because it is able to hydroxylate more than one position on the aromatic ring of several hydrocarbons and phenols. The nucleotide sequence of the gene cluster coding for this enzymatic system has been determined. The sequence analysis revealed the presence of six open reading frames (ORFs) homologous to other genes clustered in operons coding for multicomponent monooxygenases found in benzene- and toluene-degradative pathways cloned from Pseudomonas strains. Significant similarities were also found with multicomponent monooxygenase systems for phenol, methane, alkene, and dimethyl sulfide cloned from different bacterial strains. The knockout of each ORF and complementation with the wild-type allele indicated that all six ORFs are essential for the full activity of the toluene/o-xylene monooxygenase in Escherichia coli. This analysis also shows that despite its activity on both hydrocarbons and phenols, toluene/o-xylene monooxygenase belongs to a toluene multicomponent monooxygenase subfamily rather than to the monooxygenases active on phenols.

  16. Impact of a new gasoline benzene regulation on ambient air pollutants in Anchorage, Alaska

    NASA Astrophysics Data System (ADS)

    Yano, Yuriko; Morris, Stephen S.; Salerno, Christopher; Schlapia, Anne M.; Stichick, Mathew

    2016-05-01

    The purpose of this study was to quantify the impact of a new U.S. Environmental Protection Agency (EPA) standard that limits the amount of benzene allowed in gasoline on ambient benzene concentrations. This new standard, together with two companion regulations that limit cold-temperature automotive emissions and the permeability of portable fuel containers, was expected to lower the levels of ambient benzene and other volatile organic compounds (VOCs) nationwide. In this study the impact of the gasoline benzene standard was evaluated in Anchorage, Alaska in a two-phase ambient air monitoring study conducted before and after the new gasoline standard was implemented. Gasoline sold by Anchorage retailers was also evaluated in each phase to determine the content of benzene and other gasoline components. The average benzene content in Anchorage gasoline was reduced by 70%, from 5.05% (w/w) to 1.53% (w/w) following the implementation of the standard. The annual mean ambient benzene concentration fell by 51%, from 0.99 ppbv in Phase 1 to 0.49 ppbv in Phase 2. Analysis suggests the change in gasoline benzene content alone reduced benzene emissions by 46%. The changes in toluene, ethylbenzene, and xylene content in gasoline between Phase 1 and 2 were relatively small and the differences in the mean ambient concentrations of these compounds between phases were modest. Our results suggest that cold winter communities in high latitude and mountainous regions may benefit more from the gasoline benzene standard because of high benzene emissions resulting from vehicle cold start and a tendency to develop atmospheric stagnation conditions in the winter.

  17. An overview of benzene metabolism.

    PubMed Central

    Snyder, R; Hedli, C C

    1996-01-01

    Benzene toxicity involves both bone marrow depression and leukemogenesis caused by damage to multiple classes of hematopoietic cells and a variety of hematopoietic cell functions. Study of the relationship between the metabolism and toxicity of benzene indicates that several metabolites of benzene play significant roles in generating benzene toxicity. Benzene is metabolized, primarily in the liver, to a variety of hydroxylated and ring-opened products that are transported to the bone marrow where subsequent secondary metabolism occurs. Two potential mechanisms by which benzene metabolites may damage cellular macromolecules to induce toxicity include the covalent binding of reactive metabolites of benzene and the capacity of benzene metabolites to induce oxidative damage. Although the relative contributions of each of these mechanisms to toxicity remains unestablished, it is clear that different mechanisms contribute to the toxicities associated with different metabolites. As a corollary, it is unlikely that benzene toxicity can be described as the result of the interaction of a single metabolite with a single biological target. Continued investigation of the metabolism of benzene and its metabolites will allow us to determine the specific combination of metabolites as well as the biological target(s) involved in toxicity and will ultimately lead to our understanding of the relationship between the production of benzene metabolites and bone marrow toxicity. PMID:9118888

  18. Anaerobic benzene degradation by bacteria

    PubMed Central

    Vogt, Carsten; Kleinsteuber, Sabine; Richnow, Hans‐Hermann

    2011-01-01

    Summary Benzene is a widespread and toxic contaminant. The fate of benzene in contaminated aquifers seems to be primarily controlled by the abundance of oxygen: benzene is aerobically degraded at high rates by ubiquitous microorganisms, and the oxygen‐dependent pathways for its breakdown were elucidated more than 50 years ago. In contrast, benzene was thought to be persistent under anoxic conditions until 25 years ago. Nevertheless, within the last 15 years, several benzene‐degrading cultures have been enriched under varying electron acceptor conditions in laboratories around the world, and organisms involved in anaerobic benzene degradation have been identified, indicating that anaerobic benzene degradation is a relevant environmental process. However, only a few benzene degraders have been isolated in pure culture so far, and they all use nitrate as an electron acceptor. In some highly enriched strictly anaerobic cultures, benzene has been described to be mineralized cooperatively by two or more different organisms. Despite great efforts, the biochemical mechanism by which the aromatic ring of benzene is activated in the absence of oxygen is still not fully elucidated; methylation, hydroxylation and carboxylation are discussed as likely reactions. This review summarizes the current knowledge about the ‘key players’ of anaerobic benzene degradation under different electron acceptor conditions and the possible pathway(s) of anaerobic benzene degradation. PMID:21450012

  19. The ipso addition of OH to methylated benzenes

    NASA Astrophysics Data System (ADS)

    Alarcon, Paulo; Bohn, Birger; Zetzsch, Cornelius

    2013-04-01

    The reaction of OH with hexamethylbenzene has been observed to be a rapid process (Berndt and Böge, 2001) and to proceed via reversible addition (Koch et al., 2007, von Buttlar et al., 2008). Abstraction and elimination of a methyl group are only minor channels at room temperature (Loison et al., 2012). Obviously the ipso addition on an already occupied position of the ring is solely accessible for hexamethylbenzene, whereas for the lower methylated benzenes (toluene and the xylenes) this contribution is small. All three trimethylbenzenes (Bohn and Zetzsch, 2012) have been demonstrated very recently to comprise both channels. The present study reports on the reactions of OH with toluene, p-xylene, tetramethylated benzenes and pentamethylbenzene, employing the technique of pulsed vacuum UV flash photolysis of H2O with resonance fluorescence detection of OH. Triexponential decays of OH are observed (most clearly and pronounced for the highly symmetrical durene), and the analytical solution of the differential equation system describing the contribution of two adducts enables us to separate the two predominating addition channels for these compounds. The consequences of ipso addition of OH to aromatics for photochemical ozone production remain uncertain, and product studies for higher methylated benzenes are missing. References Berndt T, Böge O, Int J Chem Kinet, 33, 124-129 (2001). Bohn B, Zetzsch C, PCCP 14, 13933-13948 (2012). Loison JC, Rayez MT, Rayez JC, Gratien A, Morajkar P, Fittschen C, Villenave E, J Phys Chem A, 12189-12197 (2012). Koch R, Knispel R, Elend M, Siese M, Zetzsch C, Atmos Chem Phys 7, 2057-2071 (2007). von Buttlar J, Koch R, Siese M, Zetzsch C, What is the contribution of ipso-addition of OH in the reaction of methylated benzene-aromatics: first results on hexamethylbenzene, Geophys Abstr EGU2008-A-10576 (2008).

  20. Consistent Assignment of the Vibrations of Monohalosubstituted Benzenes

    NASA Astrophysics Data System (ADS)

    Harris, Joe; Andrejeva, Anna; Tuttle, William Duncan; Pugliesi, Igor; Schriever, Christian; Wright, Tim

    2014-06-01

    When substituted benzenes become a focus of a spectroscopic study there are various well known vibrational labelling schemes present, however it was shown in recent works the description of monohalobenzene vibrations in terms of benzene modes (ie. Wilson notation) is questionable in some cases. A new scheme is presented which uses the motions of monofluorobenzene vibrations as a basis for labelling vibrational assignments of monosubstituted benzenes.d The scheme has been successfully applied to the ground and excited states of toluene and its deuterated-methyl group isotopologue. Here we present the application of the scheme to fluorobenzene and its fully deuterated analogue. One-colour resonance-enhanced multiphoton ionization (REMPI) spectroscopy was employed in order to characterise the fluorobenzene and fluorobenzene-d5 excited state. E. B. Wilson Jr., Phys. Rev., 45, 706 (1934) G .Varsanyi, Assignments of the Vibrational Spectra of Seven Hundred Benzene Derivatives,Wiley, New York, 1974, Vol. I and II I. Pugliesi, N. C. Tonge and M. C. R. Cockett, J. Chem. Phys., 129, 104303 (2008) A. M. Gardner and T. G. Wright, J. Chem. Phys., 135,114305 (2011) A. M. Gardner, A. M. Green, V. M. Tame-Reyes, V. H. K. Wilton and T. G. Wright, 138, 134303 (2013) A. M. Gardner, A. M. Green, V. M. Tame-Reyes, K. L. Reid, J. A. Davies, V. H. K. Wilton and T. G. Wright, manuscript accepted

  1. Toluene pyrolysis studies and high temperature reactions of propargyl chloride

    SciTech Connect

    Kern, R.D.; Chen, H.; Qin, Z.

    1993-12-01

    The main focus of this program is to investigate the thermal decompositions of fuels that play an important role in the pre-particle soot formation process. It has been demonstrated that the condition of maximum soot yield is established when the reaction conditions of temperature and pressure are sufficient to establish a radical pool to support the production of polyaromatic hydrocarbon species and the subsequent formation of soot particles. However, elevated temperatures result in lower soot yields which are attributed to thermolyses of aromatic ring structures and result in the bell-shaped dependence of soot yield on temperature. The authors have selected several acyclic hydrocarbons to evaluate the chemical thermodynamic and kinetic effects attendant to benzene formation. To assess the thermal stability of the aromatic ring, the authors have studied the pyrolyses of benzene, toluene, ethylbenzene, chlorobenzene and pyridine. Time-of-flight mass spectrometry (TOF) is employed to analyze the reaction zone behind reflected shock waves. Reaction time histories of the reactants, products, and intermediates are constructed and mechanisms are formulated to model the experimental data. The TOF work is often performed with use of laser schlieren densitometry (LS) to measure density gradients resulting from the heats of various reactions involved in a particular pyrolytic system. The two techniques, TOF and LS, provide independent and complementary information about ring formation and ring rupture reactions.

  2. Fogging in Polyvinyl Toluene Scintillators

    SciTech Connect

    Cameron, Richard J.; Fritz, Brad G.; Hurlbut, Charles; Kouzes, Richard T.; Ramey, Ashley; Smola, Richard

    2015-02-01

    It has been observed that large polyvinyl toluene (PVT)-based gamma ray detectors can suffer internal “fogging” when exposed to outdoor environmental conditions over long periods of time. When observed, this change results in reduced light collection by photomultiplier tubes connected to the PVT. Investigation of the physical cause of these changes has been explored, and a root cause identified. Water penetration into the PVT from hot, high-humidity conditions results in reversible internal water condensation at room temperature, and permanent micro-fracturing of the PVT at very low environmental temperatures. Mitigation procedures and methods are being investigated.

  3. Chemical kinetic study of the oxidation of toluene and related cyclic compounds

    SciTech Connect

    Mehl, M; Frassoldati, A; Fietzek, R; Faravelli, T; Pitz, W; Ranzi, E

    2009-10-01

    Chemical kinetic models of hydrocarbons found in transportation fuels are needed to simulate combustion in engines and to improve engine performance. The study of the combustion of practical fuels, however, has to deal with their complex compositions, which generally involve hundreds of compounds. To provide a simplified approach for practical fuels, surrogate fuels including few relevant components are used instead of including all components. Among those components, toluene, the simplest of the alkyl benzenes, is one of the most prevalent aromatic compounds in gasoline in the U.S. (up to 30%) and is a promising candidate for formulating gasoline surrogates. Unfortunately, even though the combustion of aromatics been studied for a long time, the oxidation processes relevant to this class of compounds are still matter of discussion. In this work, the combustion of toluene is systematically approached through the analysis of the kinetics of some important intermediates contained in its kinetic submechanism. After discussing the combustion chemistry of cyclopentadiene, benzene, phenol and, finally, of toluene, the model is validated against literature experimental data over a wide range of operating conditions.

  4. Atmospheric benzene observations from oil and gas production in the Denver-Julesburg Basin in July and August 2014

    NASA Astrophysics Data System (ADS)

    Halliday, Hannah S.; Thompson, Anne M.; Wisthaler, Armin; Blake, Donald R.; Hornbrook, Rebecca S.; Mikoviny, Tomas; Müller, Markus; Eichler, Philipp; Apel, Eric C.; Hills, Alan J.

    2016-09-01

    High time resolution measurements of volatile organic compounds (VOCs) were collected using a proton-transfer-reaction quadrupole mass spectrometry (PTR-QMS) instrument at the Platteville Atmospheric Observatory (PAO) in Colorado to investigate how oil and natural gas (O&NG) development impacts air quality within the Wattenburg Gas Field (WGF) in the Denver-Julesburg Basin. The measurements were carried out in July and August 2014 as part of NASA's "Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality" (DISCOVER-AQ) field campaign. The PTR-QMS data were supported by pressurized whole air canister samples and airborne vertical and horizontal surveys of VOCs. Unexpectedly high benzene mixing ratios were observed at PAO at ground level (mean benzene = 0.53 ppbv, maximum benzene = 29.3 ppbv), primarily at night (mean nighttime benzene = 0.73 ppbv). These high benzene levels were associated with southwesterly winds. The airborne measurements indicate that benzene originated from within the WGF, and typical source signatures detected in the canister samples implicate emissions from O&NG activities rather than urban vehicular emissions as primary benzene source. This conclusion is backed by a regional toluene-to-benzene ratio analysis which associated southerly flow with vehicular emissions from the Denver area. Weak benzene-to-CO correlations confirmed that traffic emissions were not responsible for the observed high benzene levels. Previous measurements at the Boulder Atmospheric Observatory (BAO) and our data obtained at PAO allow us to locate the source of benzene enhancements between the two atmospheric observatories. Fugitive emissions of benzene from O&NG operations in the Platteville area are discussed as the most likely causes of enhanced benzene levels at PAO.

  5. Benzene: standards, occurrence, and exposure.

    PubMed

    Holmberg, B; Lundberg, P

    1985-01-01

    The national occupational standard values for benzene are 10 ppm for Australia, 10 ppm for Denmark, 10 ppm for Finland, 10 ppm for Japan, 10 ppm for The Netherlands, 10 ppm for the United States, and 5 ppm for Sweden; in the Federal Republic of Germany the technical guideline value is 8 ppm. Crude mineral oil contains benzene as a natural constituent of approximately 0.1%. Gasoline in Sweden may contain 4-5% benzene by volume. The 8-hour time-weighted average (TWA) exposure levels of Swedish petroleum refinery workers vary between 0.1 to 1 mg benzene/m3 in air. The exposures of benzene in various other occupations were measured and described. Other environmental exposures to benzene may have their origin in pyrolysis, such as tobacco smoking and burning of substances such as polyvinylchloride.

  6. Benzene-1,3,5-triyl tris­(methane­sulfonate)

    PubMed Central

    Madrigal, Domingo; Aguirre, Gerardo; Vargas, Berenice

    2010-01-01

    In the mol­ecule of the title compound, C9H12O9S3, the two methanesulfonate groups re located one above and one below the ring plane. The C—O—S angle range is 119.3 (2)–121.1 (2)°. This conformation is different from that of the benzene analog 1,2,5-tris­(p-toluene­sulfonate), which is a three-legged ‘table’ with all fragments of the p-toluene­sulfonate on top of the benzene ring. In the crystal, the supra­molecular aggregation is completed by the presence of C—H⋯O hydrogen bonds. PMID:21580584

  7. Volatilization of benzene and eight alkyl-substituted benzene compounds from water

    USGS Publications Warehouse

    Rathbun, R.E.; Tai, D.Y.

    1988-01-01

    Predicting the fate of organic compounds in streams and rivers often requires knowledge of the volatilization characteristics of the compounds. The reference-substance concept, involving laboratory-determined ratios of the liquid-film coefficients for volatilization of the organic compounds to the liquid-film coefficient for oxygen absorption, is used to predict liquid-film coefficients for streams and rivers. In the absence of experimental data, two procedures have been used for estimating these liquid-film coefficient ratios. These procedures, based on the molecular-diffusion coefficient and on the molecular weight, have been widely used but never extensively evaluated. Liquid-film coefficients for the volatilization of benzene and eight alkyl-substituted benzene compounds (toluene through n-octylbenzene) from water were measured in a constant-temperature, stirred water bath. Liquid-film coefficients for oxygen absorption were measured simultaneously. A range of water mixing conditions was used with a water temperature of 298.2 K. The ratios of the liquid-film coefficients for volatilization to the liquid-film coefficient for oxygen absorption for all of the organic compounds were independent of mixing conditions in the water. Experimental ratios ranged from 0.606 for benzene to 0.357 for n-octylbenzene. The molecular-diffusion-coefficient procedure accurately predicted the ratios for ethylbenzene through n-pentylbenzene with a power dependence of 0.566 on the molecular-diffusion coefficient, in agreement with published values. Predicted ratios for benzene and toluene were slightly larger than the experimental ratios. These differences were attributed to possible interactions between the molecules of these compounds and the water molecules and to benzene-benzene interactions that form dimers. Because these interactions also are likely to occur in natural waters, it was concluded that the experimental ratios are more correct than the predicted ratios for

  8. Photochemistry of Acetone in Simulated Atmosphere

    NASA Astrophysics Data System (ADS)

    Chakraborty, T.; Ghosh, A. K.; Chattopadhyay, A.

    2013-06-01

    Acetone has been identified to be one of the dominant non-methane organic species present in our atmosphere with an annual budget of ˜40-60; Tg; (10^{12} ;g). It has been proposed that the major fraction of atmospheric acetone (˜65%) is removed via photodissociation channel. Numerous laboratory investigations were devoted in the past to understand how the reactions are evolved in presence of oxygen and water vapour. Our recent study, wherein the photo products are probed using a tandem methodology of quadrupole mass spectrometry and gas-phase infrared spectroscopy reveals that a significant fraction of acetone is converted to formic acid in presence of oxygen when exposed to ultraviolet light of wavelengths available in troposphere. The measurement has been repeated with other linear and cyclic ketones and some of their deuterated analogues. The details of our findings will be presented in the talk.

  9. Acetone transport in poly(ethylene terephthalate)

    NASA Astrophysics Data System (ADS)

    Ouyang, Hao; Chen, Che-Chen

    1997-05-01

    Organic solvents like acetone can penetrate into poly(ethylene terephthalate) (PET). The model of case I (Fickian) and case II (swelling) is employed to study the phenomenon of mass transport. This model is successful in explaining the behavior of mass transport in an amorphous polymer, for example, poly(methyl methacrylate) (PMMA). The characteristic parameters, diffusivity D and velocity v, can be obtained from the analysis of experimental data. The mass transport in PET is different from that in PMMA. It is accompanied by a large-scale structural rearrangement, which leads to induced crystallization of the original amorphous state. This is the so-called "solvent-induced crystallization." Acetone-induced crystallization was confirmed by x-ray diffraction. The differential scanning calorimetry thermograms of acetone-treated PET show that the crystallization peak disappears and the glass transition temperature decreases.

  10. Degradation of Benzene by Pseudomonas veronii 1YdBTEX2 and 1YB2 Is Catalyzed by Enzymes Encoded in Distinct Catabolism Gene Clusters.

    PubMed

    de Lima-Morales, Daiana; Chaves-Moreno, Diego; Wos-Oxley, Melissa L; Jáuregui, Ruy; Vilchez-Vargas, Ramiro; Pieper, Dietmar H

    2015-10-16

    Pseudomonas veronii 1YdBTEX2, a benzene and toluene degrader, and Pseudomonas veronii 1YB2, a benzene degrader, have previously been shown to be key players in a benzene-contaminated site. These strains harbor unique catabolic pathways for the degradation of benzene comprising a gene cluster encoding an isopropylbenzene dioxygenase where genes encoding downstream enzymes were interrupted by stop codons. Extradiol dioxygenases were recruited from gene clusters comprising genes encoding a 2-hydroxymuconic semialdehyde dehydrogenase necessary for benzene degradation but typically absent from isopropylbenzene dioxygenase-encoding gene clusters. The benzene dihydrodiol dehydrogenase-encoding gene was not clustered with any other aromatic degradation genes, and the encoded protein was only distantly related to dehydrogenases of aromatic degradation pathways. The involvement of the different gene clusters in the degradation pathways was suggested by real-time quantitative reverse transcription PCR.

  11. Benzene oxidation coupled to sulfate reduction

    USGS Publications Warehouse

    Lovley, D.R.; Coates, J.D.; Woodward, J.C.; Phillips, E.J.P.

    1995-01-01

    Highly reduced sediments from San Diego Bay, Calif., that were incubated under strictly anaerobic conditions metabolized benzene within 55 days when they were exposed initially to I ??M benzene. The rate of benzene metabolism increased as benzene was added back to the benzene-adapted sediments. When a [14C]benzene tracer was included with the benzene added to benzene-adapted sediments, 92% of the added radioactivity was recovered as 14CO2. Molybdate, an inhibitor of sulfate reduction, inhibited benzene uptake and production of 14CO2 from [14C]benzene. Benzene metabolism stopped when the sediments became sulfate depleted, and benzene uptake resumed when sulfate was added again. The stoichiometry of benzene uptake and sulfate reduction was consistent with the hypothesis that sulfate was the principal electron acceptor for benzene oxidation. Isotope trapping experiments performed with [14C]benzene revealed that there was no production of such potential extracellular intermediates of benzene oxidation as phenol, benzoate, p-hydroxybenzoate, cyclohexane, catechol, and acetate. The results demonstrate that benzene can be oxidized in the absence of O2, with sulfate serving as the electron acceptor, and suggest that some sulfate reducers are capable of completely oxidizing benzene to carbon dioxide without the production of extracellular intermediates. Although anaerobic benzene oxidation coupled to chelated Fe(III) has been documented previously, the study reported here provides the first example of a natural sediment compound that can serve as an electron acceptor for anaerobic benzene oxidation.

  12. Preliminary toxicological study of ferric acetyl acetonate

    SciTech Connect

    London, J.E.; Smith, D.M.

    1983-01-01

    The calculated acute oral LD/sub 50//sup 30/ (lethal does for 50% of the animals occuring with 30 days after compound administration) values for ferric acetyl acetonate were 584 mg/kg in mice and 995 mg/kg in rats. According to classical guidelines, this compound would be considered slightly toxic in both species. Skin application studies in the rabbit demonstrated the compound to be irritating. The eye irritation study disclosed the compound to be a severe irritant causing permanent damage to the cornea (inflammation and scarring resulting in blindness). The sensitization study in the guinea pig did not show ferric acetyl acetonate to be deleterious in this regard.

  13. Bacterial degradation of acetone in an outdoor model stream

    USGS Publications Warehouse

    Rathbun, R.E.; Stephens, D.W.; Tai, D.Y.

    1993-01-01

    Diurnal variations of the acetone concentration in an outdoor model stream were measured with and without a nitrate supplement to determine if the nitrate supplement would stimulate bacterial degradation of the acetone. Acetone loss coefficients were computed from the diurnal data using a fitting procedure based on a Lagrangian particle model. The coefficients indicated that bacterial degradation of the acetone was occurring in the downstream part of the stream during the nitrate addition. However, the acetone concentrations stabilized at values considerably above the limit of detection for acetone determination, in contrast to laboratory respirometer studies where the acetone concentration decreased rapidly to less than the detection limit, once bacterial acclimation to the acetone had occurred. One possible explanation for the difference in behavior was the limited 6-hour residence time of the acetone in the model stream.

  14. ZSM-5 catalyst developed for toluene disproportionation

    SciTech Connect

    Han, S.; Shihabi, D.S. ); Absil, R.P.L.; Huang, Y.Y.; Leiby, S.M.; Marler, D.O.; McWilliams, J.P. )

    1989-08-21

    Toluene disproportionation over a new ZSM-5 catalyst formulation shows better activity and stability compared to the current Mobil Toluene disproportionation (MTDP) catalyst. Subsequent adiabatic pilot plant operations confirmed the activity and stability of the new catalyst. This process flexibility is expected to translate into considerable economic advantages for the process using the new catalyst formulation.

  15. BENZENE OXIDE PROTEIN ADDUCTS AS BIOMARKERS OF BENZENE EXPOSURE

    EPA Science Inventory

    Benzene is known to be hematotoxic and carcinogenic in animals and humans. While metabolism is required for toxicity, the identity of the ultimate carcinogen(s) remains unknown. Benzene oxide (BO) is the first and most abundant of the metabolites, but very little is known about...

  16. Para-methylstyrene from toluene and acetaldehyde

    SciTech Connect

    Innes, R.A.; Occelli, M.L.

    1984-08-01

    High yields of para-methylstyrene (PMS) were obtained in this study by coupling toluene and acetaldehyde then cracking the resultant 1,1-ditolylethane (DTE) to give equimolar amounts of PMS and toluene. In the first step, a total DTE and ''trimer'' yield of 98% on toluene and 93% on acetaldehyde was obtained using 98% sulfuric acid as catalyst at 5-10/sup 0/C. In the second step, a choline chloride-offretite cracked DTE with 84.0% conversion and 91% selectivity to PMS and toluene. Additional PMS can be obtained by cracking the by-product ''trimer'' formed by coupling DTE and toluene with acetaldehyde. Zeolite Rho was as active but yielded less PMS (86%) and produced more para-ethyltoluene (PET), an undesirable by-product.

  17. Ethnic Differences in the Metabolism of Toluene: Comparisons between Korean and Foreign Workers Exposed to Toluene

    PubMed Central

    Won, Young Lim; Ko, Kyung Sun

    2015-01-01

    The objectives of this study were to investigate the individual characteristics, lifestyle habits, exposure levels, and genetic diversity of xenobiotic-metabolizing enzymes involved in toluene metabolism in Korean and foreign workers exposed to toluene at a manufacturing plant. This study was conducted to determine the effects of culture or ethnicity on toluene metabolism. The results showed that blood and urinary toluene concentrations were dependent on the level of exposure to toluene. We analyzed the correlation between toluene metabolism and genetic diversity in glutathione S-transferase (GST) (M1), GSTT1, and cytochrome p-450 (CYP) 2E1*5 as well as lifestyle habits (smoking, drinking, and exercise habits). The results revealed significant correlations between toluene metabolism and GSTM1 and GSTT1 genetic diversity, as well as smoking and exercise. PMID:25874030

  18. Hematotoxicity and carcinogenicity of benzene

    SciTech Connect

    Aksoy, M. )

    1989-07-01

    The hematotoxicity of benzene exposure has been well known for a century. Benzene causes leukocytopenia, thrombocytopenia, pancytopenia, etc. The clinical and hematologic picture of aplastic anemia resulting from benzene exposure is not different from classical aplastic anemia; in some cases, mild bilirubinemia, changes in osmotic fragility, increase in lactic dehydrogenase and fecal urobilinogen, and occasionally some neurological abnormalities are found. Electromicroscopic findings in some cases of aplastic anemia with benzene exposure were similar to those observed by light microscopy. Benzene hepatitis-aplastic anemia syndrome was observed in a technician with benzene exposure. Ten months after occurrence of hepatitis B, a severe aplastic anemia developed. The first epidemiologic study proving the leukemogenicity of benzene was performed between 1967 and 1973 to 1974 among shoe workers in Istanbul. The incidence of leukemia was 13.59 per 100,000, which is a significant increase over that of leukemia in the general population. Following the prohibition and discontinuation of the use of benzene in Istanbul, there was a striking decrease in the number of leukemic shoe workers in Istanbul. In 23.7% of the series, consisting of 59 leukemic patients with benzene exposure, there was a preceding pancytopenic period. Furthermore, a familial connection was found in 10.2% of them. The 89.8% of the series showed the findings of acute leukemia. The possible factors that may determine the types of leukemia in benzene toxicity are discussed. The possible role of benzene exposure is presented in the development of malignant lymphoma, multiple myeloma, and lung cancer.

  19. 21 CFR 173.210 - Acetone.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Acetone. 173.210 Section 173.210 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) SECONDARY DIRECT FOOD ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Solvents, Lubricants, Release Agents and...

  20. 21 CFR 172.802 - Acetone peroxides.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Multipurpose Additives § 172.802... proportions of higher polymers, manufactured by reaction of hydrogen peroxide and acetone. (b) The additive... additive container and any intermediate premix thereof shall bear, in addition to the other...

  1. Ambient air benzene at background sites in China's most developed coastal regions: exposure levels, source implications and health risks.

    PubMed

    Zhang, Zhou; Wang, Xinming; Zhang, Yanli; Lü, Sujun; Huang, Zhonghui; Huang, Xinyu; Wang, Yuesi

    2015-04-01

    Benzene is a known human carcinogen causing leukemia, yet ambient air quality objectives for benzene are not available in China. The ambient benzene levels at four background sites in China's most developed coastal regions were measured from March 2012 to February 2013. The sites are: SYNECP, in the Northeast China Plain (NECP); YCNCP, in the North China Plain (NCP); THYRD, in the Yangtze River Delta (YRD) and DHPRD, in the Pearl River Delta (PRD). It was found that the mean annual benzene levels (578-1297 ppt) at the background sites were alarmingly higher, especially when compared to those of 60-480 pptv monitored in 28 cities in the United States. Wintertime benzene levels were significantly elevated at both sites (SYNECP and YCNCP) in northern China due to heating with coal/biofuels. Even at these background sites, the lifetime cancer risks of benzene (1.7-3.7E-05) all exceeded 1E-06 set by USEPA as acceptable for adults. At both sites in northern China, good correlations between benzene and CO or chloromethane, together with much lower toluene/benzene (T/B) ratios, suggested that benzene was largely related to coal combustion and biomass/biofuel burning. At the DHPRD site in the PRD, benzene revealed a highly significant correlation with methyl tert-butyl ether (MTBE), indicating that its source was predominantly from vehicle emissions. At the THYRD site in the YRD, higher T/B ratios and correlations between benzene and tetrachloroethylene, or MTBE, implied that benzene levels were probably affected by both traffic-related and industrial emissions.

  2. Association between genetic variants in VEGF, ERCC3 and occupational benzene haematotoxicity

    PubMed Central

    Hosgood, HD; Zhang, L; Shen, M; Berndt, SI; Vermeulen, R; Li, G; Yin, S; Yeager, M; Yuenger, J; Rothman, N; Chanock, S; Smith, M; Lan, Q

    2010-01-01

    Introduction Benzene is an established human haematotoxin, with substantial interindividual variation in benzene-induced toxicity. Methods To further examine if genetic variation contributes to benzene haematotoxicity, we analysed 1023 tagSNPs in 121 gene regions important for benzene metabolism, haematopoiesis, leukaemia and lymphoma among 250 workers exposed to benzene and 140 unexposed controls in a cross-sectional study carried out in China. Linear regression was used to analyse the relationship between genetic polymorphisms and total white blood cell (WBC) count and its subtypes, adjusting for potential confounders and occupational exposure to benzene and toluene among exposed workers. The minp test assessed the association on the gene region level. The false discovery rate method was used to control for multiple comparisons. Results VEGF (minp = 0.0030) and ERCC3 (minp = 0.0042) were the most significantly associated gene regions with altered WBC counts among benzene-exposed workers, after accounting for multiple comparisons. Highly significant changes were also found for WBC subtype counts, including granulocytes, CD4+ T cells and lymphocytes for VEGF and granulocytes and NK cells for ERCC3. Further, in workers exposed to <1 ppm, a SNP in VEGF was associated with changes in WBC and granulocyte counts, and SNPs in ERCC3 were associated with changes in WBC, NK cell and granulocyte counts. Discussion Our findings suggest that genetic variation in VEGF, which plays an important role in blood vessel growth, and ERCC3, which is a member of the DNA repair pathway and is responsible for repairing bulky DNA adducts formed by chemicals, may contribute to individual susceptibility to benzene-induced haematotoxicity at relatively low levels of benzene exposure. PMID:19773279

  3. Fuel Dependence of Benzene Pathways

    SciTech Connect

    Zhang, H; Eddings, E; Sarofim, A; Westbrook, C

    2008-07-14

    The relative importance of formation pathways for benzene, an important precursor to soot formation, was determined from the simulation of 22 premixed flames for a wide range of equivalence ratios (1.0 to 3.06), fuels (C{sub 1}-C{sub 12}), and pressures (20 to 760 torr). The maximum benzene concentrations in 15 out of these flames were well reproduced within 30% of the experimental data. Fuel structural properties were found to be critical for benzene production. Cyclohexanes and C{sub 3} and C{sub 4} fuels were found to be among the most productive in benzene formation; and long-chain normal paraffins produce the least amount of benzene. Other properties, such as equivalence ratio and combustion temperatures, were also found to be important in determining the amount of benzene produced in flames. Reaction pathways for benzene formation were examined critically in four premixed flames of structurally different fuels of acetylene, n-decane, butadiene, and cyclohexane. Reactions involving precursors, such as C{sub 3} and C{sub 4} species, were examined. Combination reactions of C{sub 3} species were identified to be the major benzene formation routes with the exception of the cyclohexane flame, in which benzene is formed exclusively from cascading fuel dehydrogenation via cyclohexene and cyclohexadiene intermediates. Acetylene addition makes a minor contribution to benzene formation, except in the butadiene flame where C{sub 4}H{sub 5} radicals are produced directly from the fuel, and in the n-decane flame where C{sub 4}H{sub 5} radicals are produced from large alkyl radical decomposition and H atom abstraction from the resulting large olefins.

  4. Acetone excretion into urine of workers exposed to acetone in acetate fiber plants.

    PubMed

    Satoh, T; Omae, K; Takebayashi, T; Nakashima, H; Higashi, T; Sakurai, H

    1995-01-01

    To develop a proper protocol for biological exposure monitoring of acetone, we evaluated whether exposure to acetone on the previous day affects the biological monitoring value at the end of a work day. One hundred and ten male workers exposed to acetone in three acetate fiber manufacturing plants were monitored using a liquid passive sampler on two consecutive working days after 2 days without exposure. Urine samples were collected at the start of the workshift and the end of the shift on both days for each subject. For ten exposed workers urine samples were collected approximately every 2 h during and after the first working day until the following morning. Acetone concentrations in urine (Cu) at the start of the first working day were 1.3 +/- 2.4 (range: ND-14.1) mg/l in nonexposed workers and 2.4 +/- 5.6 (range: ND-40.3) mg/l in exposed workers. The urinary acetone concentration at the beginning of the second working day indicated that urinary levels of acetone do not decline to background level by the following morning when exposure concentration exceeds 300 ppm. However, linear regression analysis demonstrated that the relationship between environmental exposure level and urine level was similar on the 1st day and the 2nd day. Thus, although urine acetone levels did not return completely to baseline after high exposures, under the present exposure levels the exposure on the previous day did not significantly affect urinary acetone at the end of the workshift of the next day.

  5. Composition of toluene-degrading microbial communities from soil at different concentrations of toluene

    SciTech Connect

    Hubert, C.; Shen, Y.; Voordouw, G. . Dept. of Biological Sciences)

    1999-07-01

    Toluene-degrading bacteria were isolated from hydrocarbon-contaminated soil by incubating liquid enrichment cultures and agar plate cultures in desiccators in which the vapor pressure of toluene was controlled by dilution with vacuum pump oil. Incubation in desiccators equilibrated with either 100, 10, or 1% (wt/wt) toluene in vacuum pump oil and testing for genomic cross-hybridization resulted in four genomically distinct strains (standards) capable of growth on toluene (strains Cstd1, Cstd2, and Cstd5, and Cstd7). The optimal toluene concentrations for growth of these standards on plating media differed considerably. Cstd1 grew best in an atmosphere equilibrated with 0.1% (wt/wt) toluene, but Cstd5 failed to grow in this atmosphere. Conversely, Cstd5 grew well in the presence of 10% (wt/wt) toluene, which inhibited growth of Cstd1. 16S ribosomal DNA sequencing and cross-hybridization analysis indicated that both Cstd1 and Cstd5 are members of the genus Pseudomonas. An analysis of the microbial communities in soil samples that were incubated with 10% (wt/wt) toluene with reverse sample genome probing indicated that Pseudomonas strain Cstd5 was the dominant community member. However, incubation of soil samples with 0.1% (wt/wt) toluene resulted in a community that was dominated by Pseudomonas strain Q7, a toluene degrader that has been described previously. Q7 was not able to grow by itself in an atmosphere equilibrated with 0.1% (wt/wt) toluene but grew efficiently in coculture with Cstd1, suggesting that toluene or metabolic derivatives of toluene were transferred from Cstd1 to Q7.

  6. Pollution characteristics and health risk assessment of benzene homologues in ambient air in the northeastern urban area of Beijing, China.

    PubMed

    Li, Lei; Li, Hong; Zhang, Xinmin; Wang, Li; Xu, Linghong; Wang, Xuezhong; Yu, Yanting; Zhang, Yujie; Cao, Guan

    2014-01-01

    Ambient benzene homologues were measured at a site in the northeastern urban area of Beijing, China, from August 24 to September 4, 2012 by SUMMA canister sampling followed by laboratory determination using cryogenic cold trap pre-concentration-GC-MS/FID, and their health risks were also assessed. Daily total benzene homologues ranged from 0.99 to 49.71 microg/m3 with an average of 11.98 microg/m3. Benzene homologues showed higher concentrations in the morning and evening than that at noontime. Comparison with previous studies revealed a trend of decrease for ambient benzene homologues probably due to the effective emission control in Beijing in recent years. Vehicular exhaust was the main source while volatilization of paints and solvents also made substantial contributions. Health risk assessment showed that BTEX (benzene, toluene, ethylbenzene, o-xylene, m-xylene and p-xylene) and styrene had no appreciable adverse non-cancer health risks for the exposed population, while benzene has potential cancer risk of 1.34E-05. Available data from cities in China all implied that benzene imposes relatively higher cancer risk on the exposed populations and therefore strict control measures should be taken to further lower ambient benzene levels in China.

  7. Simple and complex disorder in binary mixtures with benzene as a common solvent.

    PubMed

    Požar, Martina; Seguier, Jean-Baptiste; Guerche, Jonas; Mazighi, Redha; Zoranić, Larisa; Mijaković, Marijana; Kežić-Lovrinčević, Bernarda; Sokolić, Franjo; Perera, Aurélien

    2015-04-21

    Substituting benzene for water in computer simulations of binary mixtures allows one to study the various forms of disorder, without the complications often encountered in aqueous mixtures. In particular, we study the relationship between the local order generated by different types of molecular interactions and the nature of the global disorder, by analyzing the relationship between the concentration fluctuations and the correlation functions and the associated structure factors. Alkane-benzene mixtures are very close to ideal mixtures, despite appreciable short range shape mismatch interactions, acetone-benzene mixtures appear as a good example of regular mixtures, and ethanol-benzene mixtures show large micro-segregation. In the latter case, we can unambiguously demonstrate, unlike in the case of water, the appearance of domain-domain correlations, both in the correlation functions and the structure factor calculated in computer simulations. This finding helps to confirm the existence of a pre-peak in the structure factor associated with the micro-heterogeneity, which was speculated from several of our previous simulations of aqueous-alcohol mixtures. The fact that benzene as a solvent allows us to solve some of the problems that could not be solved with water points towards some of the particularities of water as a solvent, which we discuss herein. The concept of molecular emulsion put forward in our earlier work is useful in formulating these differences between water and benzene through the analogy with direct and inverse micellar aggregates.

  8. Assimilation of benzene carbon through multiple trophic levels traced by different stable isotope probing methodologies.

    PubMed

    Bastida, Felipe; Jechalke, Sven; Bombach, Petra; Franchini, Alessandro G; Seifert, Jana; von Bergen, Martin; Vogt, Carsten; Richnow, Hans H

    2011-08-01

    The flow of benzene carbon along a food chain consisting of bacteria and eukaryotes, including larvae (Diptera: Chironomidae), was evaluated by total lipid fatty acids (TLFAs)-, amino acid- and protein-stable isotope probing (SIP). A coconut-fibre textile, colonized by a benzene-degrading biofilm, was sampled in a system established for the remediation of benzene, toluene, ethylbenzene and xylenes (BTEX)-polluted groundwater and incubated with (12)C- and [(13)C(6)]-benzene (>99 at.%) in a batch-scale experiment for 2-8 days. After 8 days, Chironomus sp. larvae were added to study carbon flow to higher trophic levels. Gas chromatography-combustion-isotope ratio monitoring mass spectrometry of TLFA showed increased isotope ratios in the (13)C-benzene-incubated biofilm. A higher (13)C-enrichment was observed in TLFAs, indicative of Gram-negative bacteria than for Gram-positive. Fatty acid indicators of eukaryotes showed significant (13)C-incorporation, but to a lower extent than bacterial indicators. Fatty acids extracted from larvae feeding on (13)C-biofilm reached an isotopic ratio of 1.55 at.%, illustrating that the larvae feed, to some extent, on labelled biomass. No (13)C-incorporation was detectable in larval proteins after their separation by sodium-dodecyl sulphate-polyacrylamide gel electrophoresis and analysis by nano-liquid-chromatography-mass spectrometry. The flow of benzene-derived carbon could be traced in a food web consisting of bacteria and eukaryotes.

  9. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Acetone cyanohydrin or lactonitrile solutions. 153.1035... Special Cargo Procedures § 153.1035 Acetone cyanohydrin or lactonitrile solutions. No person may operate a tankship carrying a cargo of acetone cyanohydrin or lactonitrile solutions, unless that cargo is...

  10. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Acetone cyanohydrin or lactonitrile solutions. 153.1035... Special Cargo Procedures § 153.1035 Acetone cyanohydrin or lactonitrile solutions. No person may operate a tankship carrying a cargo of acetone cyanohydrin or lactonitrile solutions, unless that cargo is...

  11. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Acetone cyanohydrin or lactonitrile solutions. 153.1035... Special Cargo Procedures § 153.1035 Acetone cyanohydrin or lactonitrile solutions. No person may operate a tankship carrying a cargo of acetone cyanohydrin or lactonitrile solutions, unless that cargo is...

  12. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Acetone cyanohydrin or lactonitrile solutions. 153.1035... Special Cargo Procedures § 153.1035 Acetone cyanohydrin or lactonitrile solutions. No person may operate a tankship carrying a cargo of acetone cyanohydrin or lactonitrile solutions, unless that cargo is...

  13. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Acetone cyanohydrin or lactonitrile solutions. 153.1035... Special Cargo Procedures § 153.1035 Acetone cyanohydrin or lactonitrile solutions. No person may operate a tankship carrying a cargo of acetone cyanohydrin or lactonitrile solutions, unless that cargo is...

  14. Acetone potentiation of acute acetonitrile toxicity in rats

    SciTech Connect

    Freeman, J.J.; Hayes, E.P.

    1985-01-01

    The purpose of these studies was to investigate the nature and mechanism of a toxicologic interaction between acetonitrile and acetone. Results of oral doe-response studies utilizing 1:1 (w/w) mixture of acetonitrile and acetone, or varying doses of acetonitrile administered together with a constant dose of acetone, indicated that acetone potentiated acute acetonitrile toxicity three- to fourfold in rats. The onset of severe toxicity (manifested by tremors and convulsions) was delayed in the groups dosed with both solvents compared to the groups that received acetonitrile or acetone alone. Blood cyanide (a metabolite of acetonitrile) and serum acetonitrile and acetone concentrations were measured after oral administration of 25% aqueous solutions of acetonitrile, acetone, or acetonitrile plus acetone. Concentrations of cyanide in the blood of rats given acetonitrile plus acetone remained near baseline, in contrast to the high concentrations found in rats dosed with acetonitrile alone. At 34-36 h, high blood cyanide concentrations were found in rats dosed with both of the solvents. This delayed onset of elevation of blood cyanide coincided with the occurrence of clinical signs and with the disappearance of serum acetone. In further pharmacokinetic studies, blood cyanide concentrations were measured after similar dosage regimens of acetone and acetonitrile. Peak cyanide concentrations were found to be significantly greater in rats dosed with both solvents than in rats given only acetonitrile. Administration of either sodium thiosulfate or a second dose of acetone prevented the toxicity associated with exposure to both solvents.

  15. Primary atmospheric oxidation mechanism for toluene.

    PubMed

    Baltaretu, Cristian O; Lichtman, Eben I; Hadler, Amelia B; Elrod, Matthew J

    2009-01-08

    The products of the primary OH-initiated oxidation of toluene were investigated using the turbulent flow chemical ionization mass spectrometry technique at temperatures ranging from 228 to 298 K. A major dienedial-producing pathway was detected for the first time for toluene oxidation, and glyoxal and methylglyoxal were found to be minor primary oxidation products. The results suggest that secondary oxidation processes involving dienedial and epoxide primary products are likely responsible for previous observations of glyoxal and methylglyoxal products from toluene oxidation. Because the dienedial-producing pathway is a null cycle for tropospheric ozone production and glyoxal and methylglyoxal are important secondary organic aerosol precursors, these new findings have important implications for the modeling of toluene oxidation in the atmosphere.

  16. Carbon doping of MgB 2 by toluene and malic-acid-in-toluene

    NASA Astrophysics Data System (ADS)

    Bohnenstiehl, S. D.; Susner, M. A.; Yang, Y.; Collings, E. W.; Sumption, M. D.; Rindfleisch, M. A.; Boone, R.

    2011-02-01

    The decomposition of malic acid (C 4H 6O 5) in the presence of Mg and B was studied using Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA) which revealed that malic acid reacted with Mg but not B. Also, the addition of toluene (C 7H 8) to dissolve malic acid followed by subsequent drying resulted in no reaction with Mg, indicating that the malic acid had decomposed during the dissolution/drying stage. The total carbon contributed by toluene versus a toluene/5 wt.% malic acid mixture was measured using a LECO CS600 carbon analyzer. The toluene sample contained ∼0.4 wt.% C while the toluene/malic acid mixture had ∼1.5 wt.% C, demonstrating that the toluene contributed a significant amount of carbon to the final product. Resistivity measurements on powder-in-tube MgB 2 monofilamentary wires established that the toluene/malic acid doped sample had the highest B c2. However, the toluene-only sample had the highest transport J c over most of the magnetic field range (0-9 T), equaled only by that of toluene/malic-acid sample in fields above 9 T.

  17. Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction

    NASA Astrophysics Data System (ADS)

    Tsuzuki, Seiji; Honda, Kazumasa; Uchimaru, Tadafumi; Mikami, Masuhiro

    2005-04-01

    The intermolecular interaction energy of the toluene dimer has been calculated with the ARS-F model (a model chemistry for the evaluation of intermolecular interaction energy between ARomatic Systems using Feller's method), which was formerly called as the AIMI model III. The CCSD(T) (coupled cluster calculations with single and double substitutions with noniterative triple excitations) interaction energy at the basis set limit has been estimated from the second-order Møller-Plesset perturbation interaction energy at the basis set limit obtained by Feller's method and the CCSD(T) correction term obtained using a medium-size basis set. The cross (C2) dimer has the largest (most negative) interaction energy (-4.08kcal/mol). The antiparallel (C2h) and parallel (CS) dimers (-3.77 and -3.41kcal/mol, respectively) are slightly less stable. The dispersion interaction is found to be the major source of attraction in the toluene dimer. The dispersion interaction mainly determines the relative stability of the stacked three dimers. The electrostatic interaction of the stacked three dimers is repulsive. Although the T-shaped and slipped-parallel benzene dimers are nearly isoenergetic, the stacked toluene dimers are substantially more stable than the T-shaped toluene dimer (-2.62kcal/mol). The large dispersion interaction in the stacked toluene dimers is the cause of their enhanced stability.

  18. Collision lifetimes of polyatomic molecules at low temperatures: Benzene-benzene vs benzene-rare gas atom collisions

    NASA Astrophysics Data System (ADS)

    Cui, Jie; Li, Zhiying; Krems, Roman V.

    2014-10-01

    We use classical trajectory calculations to study the effects of the interaction strength and the geometry of rigid polyatomic molecules on the formation of long-lived collision complexes at low collision energies. We first compare the results of the calculations for collisions of benzene molecules with rare gas atoms He, Ne, Ar, Kr, and Xe. The comparison illustrates that the mean lifetimes of the collision complexes increase monotonically with the strength of the atom-molecule interaction. We then compare the results of the atom-benzene calculations with those for benzene-benzene collisions. The comparison illustrates that the mean lifetimes of the benzene-benzene collision complexes are significantly reduced due to non-ergodic effects prohibiting the molecules from sampling the entire configuration space. We find that the thermally averaged lifetimes of the benzene-benzene collisions are much shorter than those for Xe with benzene and similar to those for Ne with benzene.

  19. Collision lifetimes of polyatomic molecules at low temperatures: benzene-benzene vs benzene-rare gas atom collisions.

    PubMed

    Cui, Jie; Li, Zhiying; Krems, Roman V

    2014-10-28

    We use classical trajectory calculations to study the effects of the interaction strength and the geometry of rigid polyatomic molecules on the formation of long-lived collision complexes at low collision energies. We first compare the results of the calculations for collisions of benzene molecules with rare gas atoms He, Ne, Ar, Kr, and Xe. The comparison illustrates that the mean lifetimes of the collision complexes increase monotonically with the strength of the atom-molecule interaction. We then compare the results of the atom-benzene calculations with those for benzene-benzene collisions. The comparison illustrates that the mean lifetimes of the benzene-benzene collision complexes are significantly reduced due to non-ergodic effects prohibiting the molecules from sampling the entire configuration space. We find that the thermally averaged lifetimes of the benzene-benzene collisions are much shorter than those for Xe with benzene and similar to those for Ne with benzene.

  20. Toluene-induced ototoxicity by subcutaneous administration

    SciTech Connect

    Pryor, G.T.; Howd, R.A.

    1986-01-01

    Inhalation exposure of rats to toluene causes irreversible hearing loss (e.g., Pryor et al.). To determine whether noise emanating from the inhalation system was a major contributing factor and whether exposure by a noninhalation route would cause a similar effect, weanling, male Fischer-344 rats were injected SC twice daily in a quiet environment with PEG-300 (control) or with 1.5 or 1.7 g/kg of toluene for 7 days. After being trained to perform a multisensory conditioned avoidance response (CAR) task, tone intensity-response functions were generated at 4, 8, 12, and 20 kHz, and behavioral auditory response thresholds were estimated. Toluene caused a dose-related hearing loss at frequencies of 8 kHz and above, with no effect on performance of the CAR in response to light, nonaversive footshock, or the 4-kHz tone. The similarity of this effect to that observed following inhalation exposure indicates that noise is not a major factor in the toluene-induced hearing loss, although possible interactions between noise and toluene remain to be investigated. These results also demonstrate that direct penetration of the toluene vapors through the external ear structure, as might occur during inhalation exposure, is not a necessary condition for inducing the hearing loss.

  1. Process for the preparation of ethyl benzene

    DOEpatents

    Smith, L.A. Jr.; Arganbright, R.P.; Hearn, D.

    1995-12-19

    Ethyl benzene is produced in a catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 50 C to 300 C, using as the catalyst a mole sieve characterized as acidic by feeding ethylene to the catalyst bed while benzene is conveniently added through the reflux to result in a molar excess present in the reactor to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene and diethyl benzene in the bottoms. The bottoms are fractionated, the ethyl benzene recovered and the bottoms are contacted with benzene in the liquid phase in a fixed bed straight pass reactor under conditions to transalkylate the benzene thereby converting most of the diethyl benzene to ethyl benzene which is again separated and recovered. 2 figs.

  2. Process for the preparation of ethyl benzene

    DOEpatents

    Smith, Jr., Lawrence A.; Arganbright, Robert P.; Hearn, Dennis

    1995-01-01

    Ethyl benzene is produced in a catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 50.degree. C. to 300.degree. C., using as the catalyst a mole sieve characterized as acidic by feeding ethylene to the catalyst bed while benzene is conveniently added through the reflux to result in a molar excess present in the reactor to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene and diethyl benzene in the bottoms. The bottoms are fractionated, the ethyl benzene recovered and the bottoms are contacted with benzene in the liquid phase in a fixed bed straight pass reactor under conditions to transalkylate the benzene thereby converting most of the diethyl benzene to ethyl benzene which is again separated and recovered.

  3. Removal of traces of toluene and p-xylene in indoor air using biofiltration and a hybrid system (biofiltration + adsorption).

    PubMed

    Luengas, Angela Tatiana; Hort, Cécile; Platel, Vincent; Elias, Ana; Barona, Astrid; Moynault, Laurent

    2017-03-11

    Biofiltration technology and the hybrid system combining biofiltration and adsorption (onto activated carbon) were compared as possible methods to toluene and p-xylene at parts per million concentration levels (2-45 and 1-33 ppb, respectively). An organic material was used as packing material for the biofiltration process. Even at low empty bed residence times (EBRTs) and concentrations, toluene removal efficiency reached 100% and p-xylene showed an increasing trend on their removal efficiency over the time using biofiltration. The assessment of by-products and particle generation by the biofilter and the hybrid system were taken into account. Acetone and acetic acid were identified as by-products of the biofilter. Particle emissions in the range of 0.03 to 10 μm were recorded for both systems.

  4. Antimutagenicity of an acetone extract of yogurt.

    PubMed

    Nadathur, S R; Gould, S J; Bakalinsky, A T

    1995-04-01

    Reconstituted non-fat dry milk powder, fermented by a mixture of Streptococcus thermophilus CH3 and Lactobacillus bulgaricus 191R to produce yogurt, was freeze-dried and extracted in acetone. After evaporation of the acetone, the extract was dissolved in dimethyl sulfoxide (DMSO) and tested for antimutagenicity. In the Ames test, significant dose-dependent activity was observed against N-methyl-N'-nitro-N-nitrosoguanidine (MNNG), 4-nitro-quinoline-N-oxide (4NQO), 3,2'-dimethyl-4-aminobiphenyl (DMAB), 9,10-dimethyl-1,2-benz[a]anthracene (DMBA), and 3-amino-1-methyl-5H-pyrido[4,3-b]indole acetate (Trp-P-2). Weak activity was observed against 1,2,7,8-diepoxyoctane (DEO), and no activity was observed against methyl methanesulfonate (MMS), ethyl methanesulfonate (EMS), or aflatoxin B1 (AFB1). In a related assay (Saccharomyces cerevisiae D7), significant antimutagenic activity was detected against MNNG and 4NQO. Activity against the experimental colon carcinogens MNNG and DMAB was examined further, as assayed in the Ames test (Salmonella typhimurium TA100). Compounds responsible for both activities were less soluble in aqueous solutions than in DMSO. Adjustment of yogurt pH to 3, 7.6, or 13 prior to freeze-drying and acetone extraction did not significantly alter the amount of anti-MNNG activity recovered. In contrast, extractability of anti-DMAB activity was significantly greater at acidic pH. Conjugated linoleic acid, a known dairy anticarcinogen, failed to inhibit mutagenesis caused by either mutagen, suggesting that other yogurt-derived compound(s) are responsible. Unfermented milk was treated with lactic acid, yogurt bacteria without subsequent growth, or both, to determine if formation of antimutagenic activity required bacterial growth. Extracts of the milk treatments exhibited the same weak antimutagenicity observed in unfermented milk, approximately 2.5-fold less than in the yogurt extracts, suggesting that antimutagenic activity is associated with bacterial

  5. Purification and some properties of a novel heat-stable cis-toluene dihydrodiol dehydrogenase.

    PubMed Central

    Simpson, H D; Green, J; Dalton, H

    1987-01-01

    cis-Toluene dihydrodiol dehydrogenase was purified 200-fold from cells of a thermotolerant Bacillus species grown with toluene as the sole source of carbon and energy. The purified enzyme preparation was remarkably heat-stable and exhibited a half-life of 100 min at 80 degrees C, the temperature optimum. The activation energy of the reaction was 36 kJ.mol-1. Isoelectric focusing indicated that the pI of the native enzyme was 6.4 and that of the denatured enzyme 6.5. Although the pH optimum was 9.8, the enzyme was most stable at pH 8. The Mr of the enzyme was approx. 172,000 as determined by gel filtration and 166,000 by polyacrylamide-gel electrophoresis. The enzyme was composed of six apparently identical subunits with Mr values of 29,500. Kinetic analysis revealed that the Km for cis-toluene dihydrodiol was 92 microM and for NAD+ was 80 microM. The apparent Km values for cis-benzene dihydrodiol and cis-naphthalene dihydrodiol were 330 microM and 51 microM respectively. The enzyme was inhibited by mercurials but was unaffected by metal-ion chelators. Steady-state kinetics and product-inhibition patterns suggested that the enzyme mechanism was ordered Bi Bi. PMID:3446178

  6. Hydrogen-atom attack on phenol and toluene is ortho-directed.

    PubMed

    Krechkivska, Olha; Wilcox, Callan M; Troy, Tyler P; Nauta, Klaas; Chan, Bun; Jacob, Rebecca; Reid, Scott A; Radom, Leo; Schmidt, Timothy W; Kable, Scott H

    2016-03-28

    The reaction of H + phenol and H/D + toluene has been studied in a supersonic expansion after electric discharge. The (1 + 1') resonance-enhanced multiphoton ionization (REMPI) spectra of the reaction products, at m/z = parent + 1, or parent + 2 amu, were measured by scanning the first (resonance) laser. The resulting spectra are highly structured. Ionization energies were measured by scanning the second (ionization) laser, while the first laser was tuned to a specific transition. Theoretical calculations, benchmarked to the well-studied H + benzene → cyclohexadienyl radical reaction, were performed. The spectrum arising from the reaction of H + phenol is attributed solely to the ortho-hydroxy-cyclohexadienyl radical, which was found in two conformers (syn and anti). Similarly, the reaction of H/D + toluene formed solely the ortho isomer. The preference for the ortho isomer at 100-200 K in the molecular beam is attributed to kinetic, not thermodynamic effects, caused by an entrance channel barrier that is ∼5 kJ mol(-1) lower for ortho than for other isomers. Based on these results, we predict that the reaction of H + phenol and H + toluene should still favour the ortho isomer under elevated temperature conditions in the early stages of combustion (200-400 °C).

  7. Toluene combustion: reaction paths, thermochemical properties, and kinetic analysis for the methylphenyl radical + O2 reaction.

    PubMed

    da Silva, Gabriel; Chen, Chiung-Chu; Bozzelli, Joseph W

    2007-09-06

    temperatures, the formation of stabilized methylphenylperoxy radicals becomes significant. A further important reaction channel is available only to the 2-methylphenyl isomer, where 6-methylene-2,4-cyclohexadiene-1-one (ortho-quinone methide, o-QM) is produced via an intramolecular hydrogen transfer from the methyl group to the peroxy radical in 2-methylphenylperoxy, with subsequent loss of OH. The decomposition of o-QM to benzene + CO reveals a potentially important new pathway for the conversion of toluene to benzene during combustion. A number of the important products of toluene combustion proposed in this study are known to be precursors of polyaromatic hydrocarbons that are involved in soot formation. Reactions leading to the important unsaturated oxygenated intermediates identified in this study, and the further reactions of these intermediates, are not included in current aromatic oxidation mechanisms.

  8. Naphthalene and benzene degradation under Fe(III)-reducing conditions in petroleum-contaminated aquifers

    USGS Publications Warehouse

    Anderson, Robert T.; Lovely, Derek R.

    1999-01-01

    Naphthalene was oxidized anaerobically to CO2 in sediments collected from a petroleum-contaminated aquifer in Bemidji, Minnesota in which Fe(III) reduction was the terminal electron-accepting process. Naphthalene was not oxidized in sediments from the methanogenic zone at Bemidji or in sediments from the Fe(III)-reducing zone of other petroleum-contaminated aquifers studied. In a profile across the Fe(III)-reducing zone of the Bemidji aquifer, rates of naphthalene oxidation were fastest in sediments with the highest proportion of Fe(III), which was also the zone of the most rapid degradation of benzene, toluene, and acetate. The comparative studies attempted to elucidate factors that might account for the fact that unsubstituted aromatic hydrocarbons such as benzene and naphthalene were degraded under Fe(III)-reducing conditions at Bemidji, but not at the other aquifers examined. These studies indicated that the ability of Fe(III)-reducing microorganisms to degrade benzene and naphthalene at the Bemidji site cannot be attributed to groundwater components that make Fe(III) more available for reduction or other potential factors that were evaluated. However, unlike the other aquifers evaluated, uncontaminated sediments at the Bemidji site could be adapted for anaerobic benzene degradation merely with the addition of benzene. These findings indicate that Bemidji sediments naturally contain Fe(III) reducers capable of degradation of unsubstituted aromatic hydrocarbons.

  9. Urinary t,t-muconic acid as an indicator of exposure to benzene.

    PubMed Central

    Inoue, O; Seiji, K; Nakatsuka, H; Watanabe, T; Yin, S N; Li, G L; Cai, S X; Jin, C; Ikeda, M

    1989-01-01

    A method for rapidly determining t,t-muconic acid (MA) by high performance liquid chromatography was developed and successfully applied to urine samples from 152 workers exposed to benzene (64 men, 88 women) and 213 non-exposed controls (113 men, 100 women). The MA concentrations in urine correlated linearly with time weighted average benzene concentrations in the breath zone air of workers. A cross sectional balance study showed that about 2% of benzene inhaled is excreted into the urine as MA. The MA concentrations in the urine of the non-exposed was below the detection limit (less than 0.1 mg/l) in most cases, and the 95% lower confidence limit of MA for those exposed to benzene at 5 ppm (5.0 mg/l as a non-corrected value) was higher than the 97.5%-tile values for the non-exposed (1.4 mg/l). In practice, it was possible to separate those exposed to 6-7 ppm benzene from the non-exposed by means of urine analysis for MA. The urinary MA concentration was suppressed by coexposure to toluene. PMID:2923822

  10. Benzene formation in electronic cigarettes

    PubMed Central

    Pankow, James F.; Kim, Kilsun; McWhirter, Kevin J.; Luo, Wentai; Escobedo, Jorge O.; Strongin, Robert M.; Duell, Anna K.; Peyton, David H.

    2017-01-01

    Background/Objective The heating of the fluids used in electronic cigarettes (“e-cigarettes”) used to create “vaping” aerosols is capable of causing a wide range of degradation reaction products. We investigated formation of benzene (an important human carcinogen) from e-cigarette fluids containing propylene glycol (PG), glycerol (GL), benzoic acid, the flavor chemical benzaldehyde, and nicotine. Methods/Main results Three e-cigarette devices were used: the JUULTM “pod” system (provides no user accessible settings other than flavor cartridge choice), and two refill tank systems that allowed a range of user accessible power settings. Benzene in the e-cigarette aerosols was determined by gas chromatography/mass spectrometry. Benzene formation was ND (not detected) in the JUUL system. In the two tank systems benzene was found to form from propylene glycol (PG) and glycerol (GL), and from the additives benzoic acid and benzaldehyde, especially at high power settings. With 50:50 PG+GL, for tank device 1 at 6W and 13W, the formed benzene concentrations were 1.9 and 750 μg/m3. For tank device 2, at 6W and 25W, the formed concentrations were ND and 1.8 μg/m3. With benzoic acid and benzaldehyde at ~10 mg/mL, for tank device 1, values at 13W were as high as 5000 μg/m3. For tank device 2 at 25W, all values were ≤~100 μg/m3. These values may be compared with what can be expected in a conventional (tobacco) cigarette, namely 200,000 μg/m3. Thus, the risks from benzene will be lower from e-cigarettes than from conventional cigarettes. However, ambient benzene air concentrations in the U.S. have typically been 1 μg/m3, so that benzene has been named the largest single known cancer-risk air toxic in the U.S. For non-smokers, chronically repeated exposure to benzene from e-cigarettes at levels such as 100 or higher μg/m3 will not be of negligible risk. PMID:28273096

  11. ITP Filtrate Benzene Removal Alternatives

    SciTech Connect

    Dworjanyn, L.O.

    1993-05-21

    Existing ITP filtrate hold tanks may provide sufficient capacity and residence time to strip dissolved benzene from the incoming filtrate using nitrogen sparging in the bottom of the old tanks. This is based on equilibrium supported by late Wash test data using aged washed slurry. Theoretical considerations indicate that benzene stripping will be more difficult from the ITP unwashed high salt filtrates due to reduced mass transfer. Therefore experimental sparging data is needed to quantify the theoretical effects.Foaming limits which dictate allowable sparging rate will also have to be established. Sparging in the hold tanks will require installation of sintered metal spargers, and possibly stirrers and foam monitoring/disengagement equipment. The most critical sparging needs are at the start of the precipitation/concentration cycle, when the filtrate flux rate is the highest,and at the end of wash cycle where Henry`s equilibrium constant falls off,requiring more gas to sparge the dissolved benzene. With adequate recycle (for proper distribution) or sparging in the old tanks, the 30 inch column could be used for the complete ITP process. A courser packing would reduce back pressure while enabling benzene stripping. The Late Wash Tests indicate adequate benzene stripping even at reduced gas flow. This will require experimental verification under ITP conditions. Using the 30 in. column vs 18 in. during the wash cycle will enhance stripping without need for additional sparging provided the minimum flow requirements are met.

  12. Enzymology of acetone-butanol-isopropanol formation

    SciTech Connect

    Chen, Jiann-Shin.

    1992-01-01

    The long-term goal of the project is to understand the fundamental properties of biological solvent production. Our approach is to elucidate first the molecular properties of solvent-producing enzymes and then to apply to information gained from the enzymological study to investigate control mechanisms for the solvent-producing pathways and the expression of solvent-production genes. Our research primarily involves two strains of Clostridium beijerinckii: C. Beijerinckii NRRL B593 which produces isopropanol in addition to acetone, butanol, and ethanol, and C. beijerinckii NRRL B592 which produces acetone, butanol and ethanol, but not isopropanol. In more recent studies, we also included another solvent-producing organism, Bacillus macerans. Objectives for the reporting period were: to characterize the distinct types of alcohol dehydrogenase; to purify and characterize acetoacetyl-CoA-reacting enzymes; and to clone and sequence the gene encoding the primary/secondary alcohol dehydrogenase of C beijerinckii NRRL B593 and to search for the promoter region for solvent-production genes.

  13. Economic evaluation of the acetone - butanol fermentation

    SciTech Connect

    Lenz, T.G.; Morevra, A.R.

    1980-12-01

    The economics of producing acetone and 1-butanol via fermentation have been examined for a 45 X 10 to the power of 6 kg of solvents/year plant. For a molasses substrate, the total annual production costs were about $24.4 million vs. a total annual income of $36 million, with about $20 million total required capital. Molasses cost of about $24.4 million/year was critical to these economics. Liquid whey was next evaluated as an alternative feed. Whey feed saved about $11 million annually in feed costs and yielded about $7 million net additional annual revenues from protein sale. These primary differences gave an annual gross profit of about $15 million for the whey case and resulted in a discounted cash flow rate of return of 29%. It is concluded that waste based acetone-butanol production via fermentation deserves further attention in view of the attractive whey-based economics and the excellent potential of butanol as a fuel extender, especially for diesohol blending.

  14. Acetone-butanol Fermentation of Marine Macroalgae

    SciTech Connect

    Huesemann, Michael H.; Kuo, Li-Jung; Urquhart, Lindsay A.; Gill, Gary A.; Roesijadi, Guritno

    2012-03-01

    Mannitol and laminarin, which are present at high concentrations in the brown macroalga Saccharina spp., a type of kelp, are potential biochemical feedstocks for butanol production. To test their bioconversion potential, aqueous extracts of the kelp Saccharina spp., mannitol, and glucose (a product of laminarin hydrolysis) were subjected to acetone-butanol fermentation by Clostridium acetobutylicum (ATCC 824). Both mannitol and glucose were readily fermented. Mixed substrate fermentations with glucose and mannitol resulted in diauxic growth of C. acetobutylicum with glucose depletion preceding mannitol utilization. Fermentation of kelp extract exhibited triauxic growth, with an order of utilization of free glucose, mannitol, and bound glucose, presumably laminarin. The lag in laminarin utilization reflected the need for enzymatic hydrolysis of this polysaccharide into fermentable sugars. The butanol and total solvent yields were 0.12 g/g and 0.16 g/g, respectively, indicating that significant improvements are still needed to make industrial-scale acetone-butanol fermentations of seaweed economically feasible.

  15. Phase behavior of TXs/toluene/water microemulsion systems for solubilization absorption of toluene.

    PubMed

    Liu, Lian; Tian, Senlin; Ning, Ping

    2010-01-01

    Triton Xs (TXs) surfactants/cosurfactant/water/oil (toluene) microemulsion systems for enhancing toluene solubilization were proposed and its potential was investigated for toluene removal from gas stream. The results indicated that TX-100 was superior to other TXs surfactants in removing toluene without cosurfactant. The efficiency of cosurfactants for improving toluene solubilization capacity follows the order: amine > alcohol > acid. According to the factor analysis, the linear cosurfactants are better than the branched ones. The effects of hydrophile-lipophile balance (HLB), salt (NaCl) concentration and temperature on the formation of microemulsion system were also discussed. The results suggested that the optimum value of HLB was 15, the effect of NaCl concentration on the system was inconspicuous and the lower temperature enhanced the solubilization capacity. Nonionic surfactant-based microemulsions had a significant absorption enhancement for toluene, indicated by as much as 82.72% of toluene in phase composition diagram, which will have a great prospect in air pollution treatment.

  16. Apparatus and method for monitoring breath acetone and diabetic diagnostics

    DOEpatents

    Duan, Yixiang; Cao, Wenqing

    2008-08-26

    An apparatus and method for monitoring diabetes through breath acetone detection and quantitation employs a microplasma source in combination with a spectrometer. The microplasma source provides sufficient energy to produce excited acetone fragments from the breath gas that emit light. The emitted light is sent to the spectrometer, which generates an emission spectrum that is used to detect and quantify acetone in the breath gas.

  17. Toluene induced hypokalaemia: case report and literature review.

    PubMed

    Baskerville, J R; Tichenor, G A; Rosen, P B

    2001-11-01

    Generalised weakness is a common complaint. A case is presented of toluene induced hypokalaemia in a 22 year old woman who presented with generalised weakness. The effect of toluene and causes of weakness and hypokalaemia in this setting are discussed.

  18. Fabrication and characterization of SnO2/ZnO gas sensors for detecting toluene gas.

    PubMed

    Min, Byung-Sam; Park, Young-Ho; Lee, Chang-Seop

    2014-11-01

    This study investigates the use of SnO2, ZnO, Ag, Au, Cu, In, Pd, Ru and carbon black to improve the sensitivity of a gas sensor for detecting toluene gas. Metal-SnO2/ZnO thick films were screen-printed onto Al2O3 substrates with platinum electrodes. The physico-chemical properties of the sensor materials were characterized using SEM/EDS, XRD, and BET analyses. Measuring the electrical resistance of each sensor as a function of the gas concentration determined the sensing characteristics. The sensors were tested using toluene, benzene, xylene, ethanol, methanol, ammonia and trimethylamine vapors with concentrations of 1-2000 ppm. The gas sensing properties of metal-SnO2/ZnO thick films depended on the content and variety of metals and the content of carbon black. The optimum condition of sensor material for toluene gas detection is operation temperature 300 degrees C and when metal catalyst Cu and carbon black were added. The best sensitivity and selectivity for toluene gas at 300 degrees C resulted from doping with 5 wt.% carbon black, 1 wt.% Cu and 20 wt.% ZnO to SnO2.

  19. Reduction of acetone to isopropanol using producer gas fermenting microbes.

    PubMed

    Ramachandriya, Karthikeyan D; Wilkins, Mark R; Delorme, Marthah J M; Zhu, Xiaoguang; Kundiyana, Dimple K; Atiyeh, Hasan K; Huhnke, Raymond L

    2011-10-01

    Gasification-fermentation is an emerging technology for the conversion of lignocellulosic materials into biofuels and specialty chemicals. For effective utilization of producer gas by fermenting bacteria, tar compounds produced in the gasification process are often removed by wet scrubbing techniques using acetone. In a preliminary study using biomass generated producer gas scrubbed with acetone, an accumulation of acetone and subsequent isopropanol production was observed. The effect of 2 g/L acetone concentrations in the fermentation media on growth and product distributions was studied with "Clostridium ragsdalei," also known as Clostridium strain P11 or P11, and Clostridium carboxidivorans P7 or P7. The reduction of acetone to isopropanol was possible with "C. ragsdalei," but not with P7. In P11 this reaction occurred rapidly when acetone was added in the acidogenic phase, but was 2.5 times slower when added in the solventogenic phase. Acetone at concentrations of 2 g/L did not affect the growth of P7, but ethanol increased by 41% and acetic acid concentrations decreased by 79%. In the fermentations using P11, growth was unaffected and ethanol concentrations increased by 55% when acetone was added in the acidogenic phase. Acetic acid concentrations increased by 19% in both the treatments where acetone was added. Our observations indicate that P11 has a secondary alcohol dehydrogenase that enables it to reduce acetone to isopropanol, while P7 lacks this enzyme. P11 offers an opportunity for biological production of isopropanol from acetone reduction in the presence of gaseous substrates (CO, CO₂, and H₂).

  20. Dissociative electron attachment studies on acetone

    NASA Astrophysics Data System (ADS)

    Prabhudesai, Vaibhav S.; Tadsare, Vishvesh; Ghosh, Sanat; Gope, Krishnendu; Davis, Daly; Krishnakumar, E.

    2014-10-01

    Dissociative electron attachment (DEA) to acetone is studied in terms of the absolute cross section for various fragment channels in the electron energy range of 0-20 eV. H- is found to be the most dominant fragment followed by O- and OH- with only one resonance peak between 8 and 9 eV. The DEA dynamics is studied by measuring the angular distribution and kinetic energy distribution of fragment anions using Velocity Slice Imaging technique. The kinetic energy and angular distribution of H- and O- fragments suggest a many body break-up for the lone resonance observed. The ab initio calculations show that electron is captured in the multi-centered anti-bonding molecular orbital which would lead to a many body break-up of the resonance.

  1. Dissociative electron attachment studies on acetone

    SciTech Connect

    Prabhudesai, Vaibhav S. Tadsare, Vishvesh; Ghosh, Sanat; Gope, Krishnendu; Davis, Daly; Krishnakumar, E.

    2014-10-28

    Dissociative electron attachment (DEA) to acetone is studied in terms of the absolute cross section for various fragment channels in the electron energy range of 0–20 eV. H{sup −} is found to be the most dominant fragment followed by O{sup −} and OH{sup −} with only one resonance peak between 8 and 9 eV. The DEA dynamics is studied by measuring the angular distribution and kinetic energy distribution of fragment anions using Velocity Slice Imaging technique. The kinetic energy and angular distribution of H{sup −} and O{sup −} fragments suggest a many body break-up for the lone resonance observed. The ab initio calculations show that electron is captured in the multi-centered anti-bonding molecular orbital which would lead to a many body break-up of the resonance.

  2. Literature Review on Demilitarization of Munitions: Document Prepared for the RIGHTTRAC Technology Demonstration Project

    DTIC Science & Technology

    2010-11-01

    solubles, degraded nitroglycerin and other plasticizers. Standard acetone/water or cyclohexanone /water solution is employed for recrystallization of...low solubility and TNT has a high solubility (ethanol (most preferred), isopropyl alcohol, cyclohexanone , methanol, cold acetone, benzene, carbon...filler material in the composition. Solvents include water, diethylbenzene, xylene, toluene, benzene, perchloroethylene, cyclohexanone , dioxane

  3. 27 CFR 21.97 - Benzene.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 false Benzene. 21.97 Section 21... TREASURY LIQUORS FORMULAS FOR DENATURED ALCOHOL AND RUM Specifications for Denaturants § 21.97 Benzene. (a..., Standard No. D 836-77; for incorporation by reference, see § 21.6(b).) When 100 ml of benzene are...

  4. 27 CFR 21.97 - Benzene.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2012-04-01 2012-04-01 false Benzene. 21.97 Section 21... TREASURY LIQUORS FORMULAS FOR DENATURED ALCOHOL AND RUM Specifications for Denaturants § 21.97 Benzene. (a..., Standard No. D 836-77; for incorporation by reference, see § 21.6(b).) When 100 ml of benzene are...

  5. 27 CFR 21.97 - Benzene.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Benzene. 21.97 Section 21... TREASURY LIQUORS FORMULAS FOR DENATURED ALCOHOL AND RUM Specifications for Denaturants § 21.97 Benzene. (a..., Standard No. D 836-77; for incorporation by reference, see § 21.6(b).) When 100 ml of benzene are...

  6. 27 CFR 21.97 - Benzene.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2013-04-01 2013-04-01 false Benzene. 21.97 Section 21... TREASURY ALCOHOL FORMULAS FOR DENATURED ALCOHOL AND RUM Specifications for Denaturants § 21.97 Benzene. (a..., Standard No. D 836-77; for incorporation by reference, see § 21.6(b).) When 100 ml of benzene are...

  7. 27 CFR 21.97 - Benzene.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2014-04-01 2014-04-01 false Benzene. 21.97 Section 21... TREASURY ALCOHOL FORMULAS FOR DENATURED ALCOHOL AND RUM Specifications for Denaturants § 21.97 Benzene. (a..., Standard No. D 836-77; for incorporation by reference, see § 21.6(b).) When 100 ml of benzene are...

  8. Direct hydroxylation of benzene to phenol using hydrogen peroxide catalyzed by nickel complexes supported by pyridylalkylamine ligands.

    PubMed

    Morimoto, Yuma; Bunno, Shuji; Fujieda, Nobutaka; Sugimoto, Hideki; Itoh, Shinobu

    2015-05-13

    Selective hydroxylation of benzene to phenol has been achieved using H2O2 in the presence of a catalytic amount of the nickel complex [Ni(II)(tepa)](2+) (2) (tepa = tris[2-(pyridin-2-yl)ethyl]amine) at 60 °C. The maximum yield of phenol was 21% based on benzene without the formation of quinone or diphenol. In an endurance test of the catalyst, complex 2 showed a turnover number (TON) of 749, which is the highest value reported to date for molecular catalysts in benzene hydroxylation with H2O2. When toluene was employed as a substrate instead of benzene, cresol was obtained as the major product with 90% selectivity. When H2(18)O2 was utilized as the oxidant, (18)O-labeled phenol was predominantly obtained. The reaction rate for fully deuterated benzene was nearly identical to that of benzene (kinetic isotope effect = 1.0). On the basis of these results, the reaction mechanism is discussed.

  9. Trends in electron-ion dissociative recombination of benzene analogs with functional group substitutions: Negative Hammett σpara values

    NASA Astrophysics Data System (ADS)

    Osborne, David; Lawson, Patrick Andrew; Adams, Nigel; Dotan, Itzhak

    2014-06-01

    An in-depth study of the effects of functional group substitution on benzene's electron-ion dissociative recombination (e-IDR) rate constant has been conducted. The e-IDR rate constants for benzene, biphenyl, toluene, ethylbenzene, anisole, phenol, and aniline have been measured using a Flowing Afterglow equipped with an electrostatic Langmuir probe (FALP). These measurements have been made over a series of temperatures from 300 to 550 K. A relationship between the Hammett σpara values for each compound and rate constant has indicated a trend in the e-IDR rate constants and possibly in their temperature dependence data. The Hammett σpara value is a method to describe the effect a functional group substituted to a benzene ring has upon the reaction rate constant.

  10. Micellar electrophoretic capillary chromatographic analysis of the products produced in the radiolytic oxidation of toluene and phenol

    NASA Astrophysics Data System (ADS)

    Albarrán, G.; Schuler, R. H.

    2002-03-01

    In this paper, we consider the effect of CH 3 and OH substitution on a benzene ring in directing the site of OH radical attack in oxidative processes initiated by the gamma radiolysis of aqueous solutions of phenol and toluene. The analytical method used was micellar electrophoretic capillary chromatography. This approach permits the resolution of the radiolytic products resulting from the oxidation of the hydroxycyclohexadienyl radicals initially produced by addition of rad OH to the aromatic compounds and allows one to obtain a complete mechanistic picture of the radiation chemical processes.

  11. Effect of Cobalt Particle Size on Acetone Steam Reforming

    SciTech Connect

    Sun, Junming; Zhang, He; Yu, Ning; Davidson, Stephen; Wang, Yong

    2015-06-11

    Carbon-supported cobalt nanoparticles with different particle sizes were synthesized and characterized by complementary characterization techniques such as X-ray diffraction, N-2 sorption, acetone temperature-programmed desorption, transmission electron microscopy, and CO chemisorption. Using acetone steam reforming reaction as a probe reaction, we revealed a volcano-shape curve of the intrinsic activity (turnover frequency of acetone) and the CO2 selectivity as a function of the cobalt particle size with the highest activity and selectivity observed at a particle size of approximately 12.8nm. Our results indicate that the overall performance of acetone steam reforming is related to a combination of particle-size-dependent acetone decomposition, water dissociation, and the oxidation state of the cobalt nanoparticles.

  12. 46 CFR 151.05-2 - Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or...

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... benzene and benzene containing cargoes, or butyl acrylate cargoes. 151.05-2 Section 151.05-2 Shipping... Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or butyl acrylate cargoes. A tank barge certificated to carry benzene and benzene containing cargoes or...

  13. 46 CFR 151.05-2 - Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or...

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... benzene and benzene containing cargoes, or butyl acrylate cargoes. 151.05-2 Section 151.05-2 Shipping... Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or butyl acrylate cargoes. A tank barge certificated to carry benzene and benzene containing cargoes or...

  14. 46 CFR 151.05-2 - Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or...

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... benzene and benzene containing cargoes, or butyl acrylate cargoes. 151.05-2 Section 151.05-2 Shipping... Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or butyl acrylate cargoes. A tank barge certificated to carry benzene and benzene containing cargoes or...

  15. 46 CFR 151.05-2 - Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or...

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... benzene and benzene containing cargoes, or butyl acrylate cargoes. 151.05-2 Section 151.05-2 Shipping... Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or butyl acrylate cargoes. A tank barge certificated to carry benzene and benzene containing cargoes or...

  16. 46 CFR 151.05-2 - Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or...

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... benzene and benzene containing cargoes, or butyl acrylate cargoes. 151.05-2 Section 151.05-2 Shipping... Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or butyl acrylate cargoes. A tank barge certificated to carry benzene and benzene containing cargoes or...

  17. Effect of trichloroethylene (TCE) and toluene concentrations on TCE and toluene biodegradation and the population density of TCE and toluene degraders in soil.

    PubMed Central

    Mu, D Y; Scow, K M

    1994-01-01

    Toluene is one of several cosubstrates able to support the cometabolism of trichloroethylene (TCE) by soil microbial communities. Indigenous microbial populations in soil degraded TCE in the presence, but not the absence, of toluene after a 60- to 80-h lag period. Initial populations of toluene and TCE degraders ranged from 0.2 x 10(3) to 4 x 10(3) cells per g of soil and increased by more than 4 orders of magnitude after the addition of 20 micrograms of toluene and 1 microgram of TCE per ml of soil solution. The numbers of TCE and toluene degraders and the percent removal of TCE increased with an increase in initial toluene concentration. As the initial TCE concentration was increased from 1 to 20 micrograms/ml, the numbers of toluene and TCE degraders and the rate of toluene degradation decreased, and no TCE degradation occurred. No toluene or TCE degradation occurred at a TCE concentration of 50 micrograms/ml. PMID:8074538

  18. Double photoionization of halogenated benzene

    SciTech Connect

    AlKhaldi, Mashaal Q.; Wehlitz, Ralf

    2016-01-28

    We have experimentally investigated the double-photoionization process in C{sub 6}BrF{sub 5} using monochromatized synchrotron radiation. We compare our results with previously published data for partially deuterated benzene (C{sub 6}H{sub 3}D{sub 3}) over a wide range of photon energies from threshold to 270 eV. A broad resonance in the ratio of doubly to singly charged parent ions at about 65 eV appears shifted in energy compared to benzene data. This shift is due to the difference in the bond lengths in two molecules. A simple model can explain the shape of this resonance. At higher photon energies, we observe another broad resonance that can be explained as a second harmonic of the first resonance.

  19. Functionalization of benzene by superhalogens

    NASA Astrophysics Data System (ADS)

    Srivastava, Ambrish Kumar; Kumar, Abhishek; Misra, Neeraj

    2017-03-01

    We perform ab initio MP2/6-311++G(d,p) calculations to analyze the molecular properties and aromaticity of NO3, BO2 as well as BF4 superhalogen substituted benzene and compare them with well known electron withdrawing group substituted benzene such as C6H5F and C6H5CN in neutral and ionic forms. It has been noticed that the properties (including aromaticity) of C6H5BO2 closely resemble those of C6H5F and C6H5CN. On the contrary, C6H5NO3 possesses some quite different properties such as high electron affinity, small frontier orbital energy gap and enhanced aromaticity. It is also revealed that C6H5BF4 exists only in the form of C6H5F⋯BF3 complex.

  20. Measuring breath acetone for monitoring fat loss: Review

    PubMed Central

    2015-01-01

    Objective Endogenous acetone production is a by‐product of the fat metabolism process. Because of its small size, acetone appears in exhaled breath. Historically, endogenous acetone has been measured in exhaled breath to monitor ketosis in healthy and diabetic subjects. Recently, breath acetone concentration (BrAce) has been shown to correlate with the rate of fat loss in healthy individuals. In this review, the measurement of breath acetone in healthy subjects is evaluated for its utility in predicting fat loss and its sensitivity to changes in physiologic parameters. Results BrAce can range from 1 ppm in healthy non‐dieting subjects to 1,250 ppm in diabetic ketoacidosis. A strong correlation exists between increased BrAce and the rate of fat loss. Multiple metabolic and respiratory factors affect the measurement of BrAce. BrAce is most affected by changes in the following factors (in descending order): dietary macronutrient composition, caloric restriction, exercise, pulmonary factors, and other assorted factors that increase fat metabolism or inhibit acetone metabolism. Pulmonary factors affecting acetone exchange in the lung should be controlled to optimize the breath sample for measurement. Conclusions When biologic factors are controlled, BrAce measurement provides a non‐invasive tool for monitoring the rate of fat loss in healthy subjects. PMID:26524104

  1. Intermolecular interactions in solid benzene.

    PubMed

    Kearley, G J; Johnson, M R; Tomkinson, J

    2006-01-28

    The lattice dynamics and molecular vibrations of benzene and deuterated benzene crystals are calculated from force constants derived from density-functional theory (DFT) calculations and compared with measured inelastic neutron-scattering spectra. A very small change (0.5%) in lattice parameter is required to obtain real lattice-mode frequencies across the Brillouin zone. There is a strong coupling between wagging and breathing modes away from the zone center. This coupling and sensitivity to cell size arises from two basic interactions. Firstly, comparatively strong interactions that hold the benzene molecules together in layers. These include an intermolecular interaction in which H atoms of one molecule link to the center of the aromatic ring of a neighboring molecule. The layers are held to each other by weaker interactions, which also have components that hold molecules together within a layer. Small changes in the lattice parameters change this second type of interaction and account for the changes to the lattice dynamics. The calculations also reveal a small auxetic effect in that elongation of the crystal along the b axis leads to an increase in internal pressure in the ac plane, that is, elongation in the b direction induces expansion in the a and c directions.

  2. An Acetone Nanosensor For Non-invasive Diabetes Detection

    NASA Astrophysics Data System (ADS)

    Wang, L.; Yun, X.; Stanacevic, M.; Gouma, P. I.

    2009-05-01

    Diabetes is a most common disease worldwide. Acetone in exhaled breath is a known biomarker of Type- 1 diabetes. An exhaled breath analyzer has been developed with the potential to diagnose diabetes as a non-invasive alternative of the currently used blood-based diagnostics. This device utilizes a chemiresistor based on ferroelectric tungsten oxide nanoparticles and detects acetone selectively in breath-simulated media. Real-time monitoring of the acetone concentration is feasible, potentially making this detector a revolutionary, non- invasive, diabetes diagnostic tool.

  3. Concomitant aerobic biodegradation of benzene and thiophene

    SciTech Connect

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

    1998-05-01

    The concomitant aerobic biodegradation of benzene and thiophene was investigated in microcosm experiments using a groundwater enrichment culture. Benzene was biodegraded within 1 d, whereas thiophene could not be biodegraded as the sole source of carbon and energy. Some interesting phenomena were observed when both benzene and thiophene were present. In most cases, removal of thiophene was observed, and the removal occurred concomitantly with the biodegradation of benzene, suggesting that benzene was used as a primary substrate in the cometabolic biodegradation of thiophene. No biodegradation of the two compounds was observed for some combinations of concentrations, suggesting that thiophene could act as an inhibitor to benzene biodegradation. However, this effect could be overcome if more benzene was added to the microcosm. Residual concentrations of benzene and thiophene were observed in some microcosms and the data indicated that the biodegradation of the two compounds stopped when a critical threshold ratio between the concentrations of thiophene and benzene was reached. This ratio varied between 10 and 20. Results from modeling the biodegradation data suggested that thiophene was cometabolized concomitantly with the biodegradation of benzene and that the biodegradation may be described by a modified model based on a traditional model with an inhibition term incorporated.

  4. Benzodiazepine-like discriminative stimulus effects of toluene vapor

    PubMed Central

    Shelton, Keith L.; Nicholson, Katherine L.

    2013-01-01

    In vitro studies show that the abused inhalant toluene affects a number of ligand-gated ion channels. The two most consistently implicated of these are γ-aminobutyric acid type A (GABAA) receptors which are positively modulated by toluene and N-methyl-D-aspartate (NMDA) receptors which are negatively modulated by toluene. Behavioral studies also suggest an interaction of toluene with GABAA and/or NMDA receptors but it is unclear if these receptors underlie the abuse-related intoxicating effects of toluene. Seventeen B6SJLF1/J mice were trained using a two-choice operant drug discrimination procedure to discriminate 10 min of exposure to 2000 ppm toluene vapor from 10 min of exposure to air. The discrimination was acquired in a mean of 65 training sessions. The stimulus effects of 2000 ppm toluene vapor were exposure concentration-dependent but rapidly diminished following the cessation of vapor exposure. The stimulus effects of toluene generalized to the chlorinated hydrocarbon vapor perchloroethylene but not 1,1,2-trichloroethane nor the volatile anesthetic isoflurane. The competitive NMDA antagonist CGS-17955, the uncompetitive antagonist dizocilpine and the glycine-site antagonist L701,324 all failed to substitute for toluene. The classical nonselective benzodiazepines midazolam and chlordiazepoxide produced toluene-like stimulus effects but the alpha 1 subunit preferring positive GABAA modulator zaleplon failed to substitute for toluene. The barbiturates pentobarbital and methohexital and the GABAA-positive modulator neurosteroid allopregnanolone did not substitute for toluene. These data suggest that the stimulus effects of toluene may be at least partially mediated by benzodiazepine-like positive allosteric modulation of GABAA receptors containing alpha 2, 3 or 5 subunits. PMID:24436974

  5. Toward Portable Breath Acetone Analysis for Diabetes Detection

    PubMed Central

    Righettoni, Marco; Tricoli, Antonio

    2013-01-01

    Diabetes is a lifelong condition that may cause death and seriously affects the quality of life of a rapidly growing number of individuals. Acetone is a selective breath marker for diabetes that may contribute to the monitoring of related metabolic disorder and thus simplify the management of this illness. Here, the overall performance of Si-doped WO3 nanoparticles made by flame spray pyrolysis as portable acetone detectors is critically reviewed focusing on the requirements for medical diagnostic. The effect of flow rate, chamber volume and acetone dissociation within the measuring chamber are discussed with respect to the calibration of the sensor response. The challenges for the fabrication of portable breath acetone sensors based on chemo-resistive detectors are underlined indicating possible solutions and novel research directions. PMID:21828897

  6. Benzene solubility in water: A reassessment

    NASA Astrophysics Data System (ADS)

    Graziano, Giuseppe

    2006-09-01

    It is shown that the results of molecular dynamics simulations on the hydration thermodynamics of benzene at room temperature [Schravendijk and van der Vegt, J. Chem. Theory Comput. 1 (2005) 643] are in line with a former theoretical analysis [Graziano and Lee, J. Phys. Chem. B 105 (2001) 10367]. In fact: (a) the benzene-water van der Waals interaction energy proves to be larger in magnitude than the work of cavity creation and is able to account for the experimental finding that the hydration of benzene is a spontaneous process under the Ben-Naim standard conditions around room temperature; (b) the weak benzene-water H-bonds do not provide a significant contribution to benzene solubility in water because the favorable enthalpic component is almost entirely compensated for by an unfavorable entropic component. This enthalpy-entropy compensation occurs because the H-bonding potential of benzene is not strong.

  7. The dissociative recombination of hydrocarbon ions. III. Methyl-substituted benzene ring compounds

    NASA Astrophysics Data System (ADS)

    Rebrion-Rowe, C.; Mostefaoui, T.; Laubé, S.; Mitchell, J. B. A.

    2000-08-01

    The recombination of electrons with cyclic ions produced via ion-molecule reactions between atomic precursor ions and methyl-substituted benzene ring compounds (toluene, ortho-, and para-xylene and mesitylene) has been studied at 300 K using a flowing afterglow Langmuir probe-mass spectrometer apparatus. Differing amounts of energy can be deposited into the daughter ions depending upon which atomic precursor is used. It has been found that same-mass daughter ions formed from different precursors displayed different recombination rate coefficients indicating that different isomeric forms were reacting. In particular, the benzene ring of the toluene cation expands to a seven-membered ring following isomerization to the cycloheptatriene form. H atom abstraction allows two different isomeric daughter ions to be formed that do not interconvert and that display different recombination rates. A similar behavior was observed for the xylenes and for mesitylene. All recombination rates lie in the range from 10-7 to 10-6 cm3 s-1 and display no apparent relation with size nor with the aromaticity of the ions.

  8. Acetone sensor based on zinc oxide hexagonal tubes

    SciTech Connect

    Hastir, Anita Singh, Onkar Anand, Kanika Singh, Ravi Chand

    2014-04-24

    In this work hexagonal tubes of zinc oxide have been synthesized by co-precipitation method. For structural, morphological, elemental and optical analysis synthesized powders were characterized by using x-ray diffraction, field emission scanning microscope, EDX, UV-visible and FTIR techniques. For acetone sensing thick films of zinc oxide have been deposited on alumina substrate. The fabricated sensors exhibited maximum sensing response towards acetone vapour at an optimum operating temperature of 400°C.

  9. Activation of Acetone and Other Simple Ketones in Anaerobic Bacteria.

    PubMed

    Heider, Johann; Schühle, Karola; Frey, Jasmin; Schink, Bernhard

    2016-01-01

    Acetone and other ketones are activated for subsequent degradation through carboxylation by many nitrate-reducing, phototrophic, and obligately aerobic bacteria. Acetone carboxylation leads to acetoacetate, which is subsequently activated to a thioester and degraded via thiolysis. Two different types of acetone carboxylases have been described, which require either 2 or 4 ATP equivalents as an energy supply for the carboxylation reaction. Both enzymes appear to combine acetone enolphosphate with carbonic phosphate to form acetoacetate. A similar but more complex enzyme is known to carboxylate the aromatic ketone acetophenone, a metabolic intermediate in anaerobic ethylbenzene metabolism in denitrifying bacteria, with simultaneous hydrolysis of 2 ATP to 2 ADP. Obligately anaerobic sulfate-reducing bacteria activate acetone to a four-carbon compound as well, but via a different process than bicarbonate- or CO2-dependent carboxylation. The present evidence indicates that either carbon monoxide or a formyl residue is used as a cosubstrate, and that the overall ATP expenditure of this pathway is substantially lower than in the known acetone carboxylase reactions.

  10. Production of Phenol from Benzene via Cumene

    ERIC Educational Resources Information Center

    Daniels, D. J.; And Others

    1976-01-01

    Describes an undergraduate chemistry laboratory experiment involving the production of phenol from benzene with the intermediate production of isopropylbenzene and isopropylbenzene hydroperoxide. (SL)

  11. Detailed mechanism of benzene oxidation

    NASA Technical Reports Server (NTRS)

    Bittker, David A.

    1987-01-01

    A detailed quantitative mechanism for the oxidation of benzene in both argon and nitrogen diluted systems is presented. Computed ignition delay time for argon diluted mixtures are in satisfactory agreement with experimental results for a wide range of initial conditions. An experimental temperature versus time profile for a nitrogen diluted oxidation was accurately matched and several concentration profiles were matched qualitatively. Application of sensitivity analysis has given approximate rate constant expressions for the two dominant heat release reactions, the oxidation of C6H5 and C5H5 radicals by molecular oxygen.

  12. Single Shot Hugoniots of Toluene and Methanol

    NASA Astrophysics Data System (ADS)

    Bolme, C. A.; Eakins, D. E.; Funk, D. J.; McGrane, S. D.; Moore, D. S.; Whitley, V. H.

    2009-12-01

    Ultrafast dynamic ellipsometry was used to acquire shock and particle velocities and shocked refractive indices for toluene and methanol. The liquids were driven with a shock wave that was approximately 300 ps in duration, and the data for each was acquired in a single laser shot by utilizing the Gaussian spatial profile of the drive laser beam to create a range of pressures in the samples. The Hugoniot data match well with previous shock data and with Woolfolk's "universal liquid Hugoniot." The shocked refractive indices of both liquids deviate from the Gladstone-Dale relation, the value expected exclusively from a change in density.

  13. Gene components responsible for discrete substrate specificity in the metabolism of biphenyl (bph operon) and toluene (tod operon).

    PubMed Central

    Furukawa, K; Hirose, J; Suyama, A; Zaiki, T; Hayashida, S

    1993-01-01

    bph operons coding for biphenyl-polychlorinated biphenyl degradation in Pseudomonas pseudoalcaligenes KF707 and Pseudomonas putida KF715 and tod operons coding for toluene-benzene metabolism in P. putida F1 are very similar in gene organization as well as size and homology of the corresponding enzymes (G. J. Zylstra and D. T. Gibson, J. Biol. Chem. 264:14940-14946, 1989; K. Taira, J. Hirose, S. Hayashida, and K. Furukawa, J. Biol. Chem. 267:4844-4853, 1992), despite their discrete substrate ranges for metabolism. The gene components responsible for substrate specificity between the bph and tod operons were investigated. The large subunit of the terminal dioxygenase (encoded by bphA1 and todC1) and the ring meta-cleavage compound hydrolase (bphD and todF) were critical for their discrete metabolic specificities, as shown by the following results. (i) Introduction of todC1C2 (coding for the large and small subunits of the terminal dioxygenase in toluene metabolism) or even only todC1 into biphenyl-utilizing P. pseudoalcaligenes KF707 and P. putida KF715 allowed them to grow on toluene-benzene by coupling with the lower benzoate meta-cleavage pathway. Introduction of the bphD gene (coding for 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase) into toluene-utilizing P. putida F1 permitted growth on biphenyl. (ii) With various bph and tod mutant strains, it was shown that enzyme components of ferredoxin (encoded by bphA3 and todB), ferredoxin reductase (bphA4 and todA), and dihydrodiol dehydrogenase (bphB and todD) were complementary with one another. (iii) Escherichia coli cells carrying a hybrid gene cluster of todClbphA2A3A4BC (constructed by replacing bphA1 with todC1) converted toluene to a ring meta-cleavage 2-hydroxy-6-oxo-hepta-2,4-dienoic acid, indicating that TodC1 formed a functional multicomponent dioxygenase associated with BphA2 (a small subunit of the terminal dioxygenase in biphenyl metabolism), BphA3, and BphA4. PMID:8349562

  14. Quantitative Clinical Diagnostic Analysis of Acetone in Human Blood by HPLC: A Metabolomic Search for Acetone as Indicator

    PubMed Central

    Akgul Kalkan, Esin; Sahiner, Mehtap; Ulker Cakir, Dilek; Alpaslan, Duygu; Yilmaz, Selehattin

    2016-01-01

    Using high-performance liquid chromatography (HPLC) and 2,4-dinitrophenylhydrazine (2,4-DNPH) as a derivatizing reagent, an analytical method was developed for the quantitative determination of acetone in human blood. The determination was carried out at 365 nm using an ultraviolet-visible (UV-Vis) diode array detector (DAD). For acetone as its 2,4-dinitrophenylhydrazone derivative, a good separation was achieved with a ThermoAcclaim C18 column (15 cm × 4.6 mm × 3 μm) at retention time (tR) 12.10 min and flowrate of 1 mL min−1 using a (methanol/acetonitrile) water elution gradient. The methodology is simple, rapid, sensitive, and of low cost, exhibits good reproducibility, and allows the analysis of acetone in biological fluids. A calibration curve was obtained for acetone using its standard solutions in acetonitrile. Quantitative analysis of acetone in human blood was successfully carried out using this calibration graph. The applied method was validated in parameters of linearity, limit of detection and quantification, accuracy, and precision. We also present acetone as a useful tool for the HPLC-based metabolomic investigation of endogenous metabolism and quantitative clinical diagnostic analysis. PMID:27298750

  15. Systems biology of human benzene exposure

    PubMed Central

    Zhang, Luoping; McHale, Cliona M.; Rothman, Nathaniel; Li, Guilan; Ji, Zhiying; Vermeulen, Roel; Hubbard, Alan E.; Ren, Xuefeng; Shen, Min; Rappaport, Stephen M.; North, Matthew; Skibola, Christine F.; Yin, Songnian; Vulpe, Christopher; Chanock, Stephen J.; Smith, Martyn T.; Lan, Qing

    2010-01-01

    Toxicogenomic studies, including genome-wide analyses of susceptibility genes (genomics), gene expression (transcriptomics), protein expression (proteomics), and epigenetic modifications (epigenomics), of human populations exposed to benzene are crucial to understanding gene-environment interactions, providing the ability to develop biomarkers of exposure, early effect and susceptibility. Comprehensive analysis of these toxicogenomic and epigenomic profiles by bioinformatics in the context of phenotypic endpoints, comprises systems biology, which has the potential to comprehensively define the mechanisms by which benzene causes leukemia. We have applied this approach to a molecular epidemiology study of workers exposed to benzene. Hematotoxicity, a significant decrease in almost all blood cell counts, was identified as a phenotypic effect of benzene that occurred even below 1ppm benzene exposure. We found a significant decrease in the formation of progenitor colonies arising from bone marrow stem cells with increasing benzene exposure, showing that progenitor cells are more sensitive to the effects of benzene than mature blood cells, likely leading to the observed hematotoxicity. Analysis of transcriptomics by microarray in the peripheral blood mononuclear cells of exposed workers, identified genes and pathways (apoptosis, immune response, and inflammatory response) altered at high (>10ppm) and low (<1ppm) benzene levels. Serum proteomics by SELDI-TOF-MS revealed proteins consistently down-regulated in exposed workers. Preliminary epigenomics data showed effects of benzene on the DNA methylation of specific genes. Genomic screens for candidate genes involved in susceptibility to benzene toxicity are being undertaken in yeast, with subsequent confirmation by RNAi in human cells, to expand upon the findings from candidate gene analyses. Data on these and future biomarkers will be used to populate a large toxicogenomics database, to which we will apply bioinformatic

  16. Anaerobic benzene oxidation by Geobacter species.

    PubMed

    Zhang, Tian; Bain, Timothy S; Nevin, Kelly P; Barlett, Melissa A; Lovley, Derek R

    2012-12-01

    The abundance of Geobacter species in contaminated aquifers in which benzene is anaerobically degraded has led to the suggestion that some Geobacter species might be capable of anaerobic benzene degradation, but this has never been documented. A strain of Geobacter, designated strain Ben, was isolated from sediments from the Fe(III)-reducing zone of a petroleum-contaminated aquifer in which there was significant capacity for anaerobic benzene oxidation. Strain Ben grew in a medium with benzene as the sole electron donor and Fe(III) oxide as the sole electron acceptor. Furthermore, additional evaluation of Geobacter metallireducens demonstrated that it could also grow in benzene-Fe(III) medium. In both strain Ben and G. metallireducens the stoichiometry of benzene metabolism and Fe(III) reduction was consistent with the oxidation of benzene to carbon dioxide with Fe(III) serving as the sole electron acceptor. With benzene as the electron donor, and Fe(III) oxide (strain Ben) or Fe(III) citrate (G. metallireducens) as the electron acceptor, the cell yields of strain Ben and G. metallireducens were 3.2 × 10(9) and 8.4 × 10(9) cells/mmol of Fe(III) reduced, respectively. Strain Ben also oxidized benzene with anthraquinone-2,6-disulfonate (AQDS) as the sole electron acceptor with cell yields of 5.9 × 10(9) cells/mmol of AQDS reduced. Strain Ben serves as model organism for the study of anaerobic benzene metabolism in petroleum-contaminated aquifers, and G. metallireducens is the first anaerobic benzene-degrading organism that can be genetically manipulated.

  17. Mechanistic considerations in benzene physiological model development

    SciTech Connect

    Medinsky, M.A.; Kenyon, E.M.; Seaton, M.J.; Schlosser, P.M.

    1996-12-01

    Benzene, an important industrial solvent, is also present in unleaded gasoline and cigarette smoke. The hematotoxic effects of benzene in humans are well documented and include aplastic anemia, pancytopenia, and acute myelogenous leukemia. However, the risks of leukemia at low exposure concentrations have not been established. A combination of metabolites (hydroquinone and phenol, for example) may be necessary to duplicate the hematotoxic effect of benzene, perhaps due in part to the synergistic effect of phenol on myeloperoxidase-mediated oxidation of hydroquinone to the reactive metabolite benzoquinone. Because benzene and its hydroxylated metabolites (phenol, hydroquinone, and catechol) are substrates for the same cytochrome P450 enzymes, competitive interactions among the metabolites are possible. In vivo data on metabolite formation by mice exposed to various benzene concentrations are consistent with competitive inhibition of phenol oxidation by benzene. In vitro studies of the metabolic oxidation of benzene, phenol, and hydroquinone are consistent with the mechanism of competitive interaction among the metabolites. The dosimetry of benzene and its metabolites in the target tissue, bone marrow, depends on the balance of activation processes such as enzymatic oxidation and deactivation processes such as conjugation and excretion. Phenol, the primary benzene metabolite, can undergo both oxidation and conjugation. Thus the potential exists for competition among various enzymes for phenol. Zonal localization of phase I and phase 11 enzymes in various regions of the liver acinus also impacts this competition. Biologically based dosimetry models that incorporate the important determinants of benzene flux, including interactions with other chemicals, will enable prediction of target tissue doses of benzene and metabolites at low exposure concentrations relevant for humans. 39 refs., 4 figs., 2 tabs.

  18. Resonant photodissociation in substituted benzenes

    NASA Astrophysics Data System (ADS)

    Scarborough, Tim; McAcy, Collin; Foote, David; Uiterwaal, Cornelis

    2011-05-01

    Cyclic aromatic molecules are abundant in organic chemistry, with a wide variety of applications, including pharmacology, pollution studies and genetic research. Among the simplest of these molecules is benzene (C6H6) , with many relevant molecules being benzene-like with a single atomic substitution. In such a substitution, the substituent determines a characteristic perturbation of the electronic structure of the molecule. We discuss the substitution of halogens into the ring (C6H5X), and its effects on the dynamics of ionization and dissociation of the molecule without the focal volume effect. In particular, using 800-nm, 50-fs laser pulses, we present results in the dissociation of fluorobenzene, chlorobenzene, bromobenzene and iodobenzene into the phenyl ring (C6H5) and the atomic halogen, and the subsequent ionization of these fragments. The impact of the ``heavy atom effect'' on a 1 (π , π*) -->3 (n , σ*) singlet-triplet intersystem crossing will be emphasized. Currently under investigation is whether such a dissociation can be treated as an effective source of the neutral substituent. This material is based upon work supported by the National Science Foundation under Grant No. PHY-0355235.

  19. Major sources of benzene exposure.

    PubMed Central

    Wallace, L A

    1989-01-01

    Data from EPA's TEAM Study allow us to identify the major sources of exposure to benzene for much of the U.S. population. These sources turn out to be quite different from what had previously been considered the important sources. The most important source of exposure for 50 million smokers is the mainstream smoke from their cigarettes, which accounts for about half of the total population burden of exposure to benzene. Another 20% of nationwide exposure is contributed by various personal activities, such as driving and using attached garages. (Emissions from consumer products, building materials, paints, and adhesives may also be important, although data are largely lacking.) The traditional sources of atmospheric emissions (auto exhaust and industrial emissions) account for only about 20% of total exposure. Environmental tobacco smoke is an important source, accounting for about 5% of total nationwide exposure. A number of sources sometimes considered important, such as petroleum refining operations, petrochemical manufacturing, oil storage tanks, urban-industrial areas, service stations, certain foods, groundwater contamination, and underground gasoline leaks, appear to be unimportant on a nationwide basis. PMID:2477239

  20. Chloroform mineralization by toluene-oxidizing bacteria.

    PubMed Central

    McClay, K; Fox, B G; Steffan, R J

    1996-01-01

    Seven toluene-oxidizing bacterial strains (Pseudomonas mendocina KR1, Burkholderia cepacia G4, Pseudomonas putida F1, Pseudomonas pickettii PKO1, and Pseudomonas sp. strains ENVPC5, ENVBF1, and ENV113) were tested for their ability to degrade chloroform (CF). The greatest rate of CF oxidation was achieved with strain ENVBF1 (1.9 nmol/min/mg of cell protein). CF also was oxidized by P. mendocina KR1 (0.48 nmol/min/mg of cell protein), strain ENVPC5 (0.49 nmol/min/mg of cell protein), and Escherichia coli DH510B(pRS202), which contained cloned toluene 4-monooxygenase genes from P. mendocina KR1 (0.16 nmol/min/mg of cell protein). Degradation of [14C]CF and ion analysis of culture extracts revealed that CF was mineralized to CO2 (approximately 30 to 57% of the total products), soluble metabolites (approximately 15%), a total carbon fraction irreversibly bound to particulate cellular constituents (approximately 30%), and chloride ions (approximately 75% of the expected yield). CF oxidation by each strain was inhibited in the presence of trichloroethylene, and acetylene significantly inhibited trichloroethylene oxidation by P. mendocina KR1. Differences in the abilities of the CF-oxidizing strains to degrade other halogenated compounds were also identified. CF was not degraded by B. cepacia G4, P. putida F1, P. pickettii PKO1, Pseudomonas sp. strain ENV113, or P. mendocina KRMT, which contains a tmo mutation. PMID:8702263

  1. Chemical Kinetic Characterization of Combustion Toluene

    SciTech Connect

    Pitz, W J; Seiser, R; Bozzelli, J W; Da Costa, I; Fournet, R; Billaud, F; Battin-Leclerc, F; Seshadri, K; Westbrook, C K

    2001-03-20

    A study is performed to elucidate the chemical kinetic mechanism of combustion of toluene. A detailed chemical kinetic mechanism for toluene was improved by adding a more accurate description of the phenyl + O{sub 2} reaction channels. Results of the chemical kinetic mechanism are compared with experimental data obtained from premixed and nonpremixed systems. Under premixed conditions, predicted ignition delay times are compared with new experimental data obtained in shock tube. Also, calculated species concentration histories are compared to experimental flow reactor data from the literature. Critical conditions of extinction and ignition were measured in strained laminar flows under nonpremixed conditions in the counterflow configuration. Numerical calculations are performed using the chemical kinetic mechanism at conditions corresponding to those in the experiments. Critical conditions of extinction and ignition are predicted and compared with the experimental data. For both premixed and nonpremixed systems, sensitivity analysis was used to identify the reaction rate constants that control the overall rate of oxidation in each of the systems considered.

  2. Acetone production with metabolically engineered strains of Acetobacterium woodii.

    PubMed

    Hoffmeister, Sabrina; Gerdom, Marzena; Bengelsdorf, Frank R; Linder, Sonja; Flüchter, Sebastian; Öztürk, Hatice; Blümke, Wilfried; May, Antje; Fischer, Ralf-Jörg; Bahl, Hubert; Dürre, Peter

    2016-07-01

    Expected depletion of oil and fossil resources urges the development of new alternative routes for the production of bulk chemicals and fuels beyond petroleum resources. In this study, the clostridial acetone pathway was used for the formation of acetone in the acetogenic bacterium Acetobacterium woodii. The acetone production operon (APO) containing the genes thlA (encoding thiolase A), ctfA/ctfB (encoding CoA transferase), and adc (encoding acetoacetate decarboxylase) from Clostridium acetobutylicum were cloned under the control of the thlA promoter into four vectors having different replicons for Gram-positives (pIP404, pBP1, pCB102, and pCD6). Stable replication was observed for all constructs. A. woodii [pJIR_actthlA] achieved the maximal acetone concentration under autotrophic conditions (15.2±3.4mM). Promoter sequences of the genes ackA from A. woodii and pta-ack from C. ljungdahlii were determined by primer extension (PEX) and cloned upstream of the APO. The highest acetone production in recombinant A. woodii cells was achieved using the promoters PthlA and Ppta-ack. Batch fermentations using A. woodii [pMTL84151_actthlA] in a bioreactor revealed that acetate concentration had an effect on the acetone production, due to the high Km value of the CoA transferase. In order to establish consistent acetate concentration within the bioreactor and to increase biomass, a continuous fermentation process for A. woodii was developed. Thus, acetone productivity of the strain A. woodii [pMTL84151_actthlA] was increased from 1.2mgL(-1)h(-1) in bottle fermentation to 26.4mgL(-1)h(-1) in continuous gas fermentation.

  3. Benzene in blood and phenol in urine in monitoring benzene exposure in industry

    SciTech Connect

    Braier, L.; Levy, A.; Dror, K.; Pardo, A.

    1981-01-01

    Determinations of benzene concentration in blood and of phenol in urine were made by head-space gas chromatography techniques on samples taken near the end of the work day from two groups of workers potentially exposed to low levels of benzene in the work-place atmosphere. Preliminary results suggest that benzene in blood is more reliable than phenol tests for assessing both exposure and uptake of benzene. Normal values of phenol in urine (10 mg/liter or less) were found in nearly all those cases in which benzene was detected in the blood.

  4. 46 CFR 30.25-3 - Benzene.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 1 2014-10-01 2014-10-01 false Benzene. 30.25-3 Section 30.25-3 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY TANK VESSELS GENERAL PROVISIONS Commodities Regulated § 30.25-3 Benzene. The provisions contained in 46 CFR part 197, subpart C, apply to liquid cargoes containing 0.5% or more...

  5. 29 CFR 1915.1028 - Benzene.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 7 2012-07-01 2012-07-01 false Benzene. 1915.1028 Section 1915.1028 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED... Benzene. Note: The requirements applicable to shipyard employment under this section are identical...

  6. 46 CFR 151.50-60 - Benzene.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Benzene. 151.50-60 Section 151.50-60 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Special Requirements § 151.50-60 Benzene. The person in charge of...

  7. 46 CFR 30.25-3 - Benzene.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 1 2013-10-01 2013-10-01 false Benzene. 30.25-3 Section 30.25-3 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY TANK VESSELS GENERAL PROVISIONS Commodities Regulated § 30.25-3 Benzene. The provisions contained in 46 CFR part 197, subpart C, apply to liquid cargoes containing 0.5% or more...

  8. 29 CFR 1915.1028 - Benzene.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 7 2010-07-01 2010-07-01 false Benzene. 1915.1028 Section 1915.1028 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED... Benzene. Note: The requirements applicable to shipyard employment under this section are identical...

  9. 29 CFR 1926.1128 - Benzene.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 8 2010-07-01 2010-07-01 false Benzene. 1926.1128 Section 1926.1128 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Toxic and Hazardous Substances § 1926.1128 Benzene....

  10. 29 CFR 1926.1128 - Benzene.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 8 2014-07-01 2014-07-01 false Benzene. 1926.1128 Section 1926.1128 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Toxic and Hazardous Substances § 1926.1128 Benzene....

  11. 46 CFR 30.25-3 - Benzene.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 1 2010-10-01 2010-10-01 false Benzene. 30.25-3 Section 30.25-3 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY TANK VESSELS GENERAL PROVISIONS Commodities Regulated § 30.25-3 Benzene. The provisions contained in 46 CFR part 197, subpart C, apply to liquid cargoes containing 0.5% or more...

  12. 46 CFR 151.50-60 - Benzene.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Benzene. 151.50-60 Section 151.50-60 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Special Requirements § 151.50-60 Benzene. The person in charge of...

  13. 29 CFR 1926.1128 - Benzene.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 8 2011-07-01 2011-07-01 false Benzene. 1926.1128 Section 1926.1128 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Toxic and Hazardous Substances § 1926.1128 Benzene....

  14. 46 CFR 30.25-3 - Benzene.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 1 2011-10-01 2011-10-01 false Benzene. 30.25-3 Section 30.25-3 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY TANK VESSELS GENERAL PROVISIONS Commodities Regulated § 30.25-3 Benzene. The provisions contained in 46 CFR part 197, subpart C, apply to liquid cargoes containing 0.5% or more...

  15. 29 CFR 1926.1128 - Benzene.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 8 2012-07-01 2012-07-01 false Benzene. 1926.1128 Section 1926.1128 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Toxic and Hazardous Substances § 1926.1128 Benzene....

  16. 29 CFR 1915.1028 - Benzene.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 7 2014-07-01 2014-07-01 false Benzene. 1915.1028 Section 1915.1028 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED... Benzene. Note: The requirements applicable to shipyard employment under this section are identical...

  17. 29 CFR 1926.1128 - Benzene.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 29 Labor 8 2013-07-01 2013-07-01 false Benzene. 1926.1128 Section 1926.1128 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Toxic and Hazardous Substances § 1926.1128 Benzene....

  18. 46 CFR 151.50-60 - Benzene.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Benzene. 151.50-60 Section 151.50-60 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Special Requirements § 151.50-60 Benzene. The person in charge of...

  19. 46 CFR 30.25-3 - Benzene.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 1 2012-10-01 2012-10-01 false Benzene. 30.25-3 Section 30.25-3 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY TANK VESSELS GENERAL PROVISIONS Commodities Regulated § 30.25-3 Benzene. The provisions contained in 46 CFR part 197, subpart C, apply to liquid cargoes containing 0.5% or more...

  20. 29 CFR 1915.1028 - Benzene.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 29 Labor 7 2013-07-01 2013-07-01 false Benzene. 1915.1028 Section 1915.1028 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED... Benzene. Note: The requirements applicable to shipyard employment under this section are identical...

  1. 46 CFR 151.50-60 - Benzene.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Benzene. 151.50-60 Section 151.50-60 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Special Requirements § 151.50-60 Benzene. The person in charge of...

  2. 46 CFR 151.50-60 - Benzene.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Benzene. 151.50-60 Section 151.50-60 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Special Requirements § 151.50-60 Benzene. The person in charge of...

  3. 29 CFR 1915.1028 - Benzene.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 7 2011-07-01 2011-07-01 false Benzene. 1915.1028 Section 1915.1028 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED... Benzene. Note: The requirements applicable to shipyard employment under this section are identical...

  4. Biomarkers of susceptibility following benzene exposure: influence of genetic polymorphisms on benzene metabolism and health effects.

    PubMed

    Carbonari, Damiano; Chiarella, Pieranna; Mansi, Antonella; Pigini, Daniela; Iavicoli, Sergio; Tranfo, Giovanna

    2016-01-01

    Benzene is a ubiquitous occupational and environmental pollutant. Improved industrial hygiene allowed airborne concentrations close to the environmental context (1-1000 µg/m(3)). Conversely, new limits for benzene levels in urban air were set (5 µg/m(3)). The biomonitoring of exposure to such low benzene concentrations are performed measuring specific and sensitive biomarkers such as S-phenylmercapturic acid, trans, trans-muconic acid and urinary benzene: many studies referred high variability in the levels of these biomarkers, suggesting the involvement of polymorphic metabolic genes in the individual susceptibility to benzene toxicity. We reviewed the influence of metabolic polymorphisms on the biomarkers levels of benzene exposure and effect, in order to understand the real impact of benzene exposure on subjects with increased susceptibility.

  5. Microbiological production of acetone-butanol by Clostridium acetobutylicum.

    PubMed

    Abou-Zeid, A A; Fouad, M; Yassein, M

    1978-01-01

    Trials succeeded in raising the efficiencies of the fermentation medium, used in the fermentative production of acetone-butanol by Clostridium acetobutylicum. Egyptian black strap molasses (50.0% sugars) was suitable as carbon source in the fermentation medium, and (NH4)2SO4 was utilized with great success as inorganic nitrogen source. 140.0 g/l black strap molasses (about 7.0% sugars) and 3.0 g/l (NH4)2SO4 were the optimum concentrations for obtaining good yields of acetone and butanol. Molasses and (NH4)2SO4 were preferred because they are cheaper than the other carbon and organic nitrogen sources, used in the fermentative production of acetone-butanol. The percentage increase of the total solvents produced in the fermentation (production medium) was increased by 64.0. The slop (by-product of the acetone-butanol fermentation after distillation) was re-used in the fermentation medium as organic nitrogen source and supported the microorganisms for a good production of acetone and butanol, while when stillage was used in the production medium, the total solvents output was less than that produced in the medium containing slop.

  6. Biogenic and biomass burning sources of acetone to the troposphere

    SciTech Connect

    Atherton, C.S.

    1997-04-01

    Acetone may be an important source of reactive odd hydrogen in the upper troposphere and lower stratosphere. This source of odd hydrogen may affect the concentration of a number of species, including ozone, nitrogen oxides, methane, and others. Traditional, acetone had been considered a by-product of the photochemical oxidation of other species, and had not entered models as a primary emission. However, recent work estimates a global source term of 40-60 Tg acetone/year. Of this, 25% is directly emitted during biomass burning, and 20% is directly emitted by evergreens and other plants. Only 3% is due to anthropogenic/industrial emissions. The bulk of the remainder, 51% of the acetone source, is a secondary product from the oxidation of propane, isobutane, and isobutene. Also, while it is speculated that the oxidation of pinene (a biogenic emission) may also contribute about 6 Tg/year, this term is highly uncertain. Thus, the two largest primary sources of acetone are biogenic emission and biomass burning, with industrial/anthropogenic emissions very small in comparison.

  7. Sensor gas analyzer for acetone determination in expired air

    NASA Astrophysics Data System (ADS)

    Baranov, Vitaly V.

    2001-05-01

    Diseases and changes in the way of life change the concentration and composition of the expired air. Our adaptable gas analyzer is intended for the selective analysis of expired air and can be adapted for the solution of current diagnostic and analytical tasks by the user (a physician or a patient). Having analyzed the existing trends in the development of noninvasive diagnostics we have chosen the method of noninvasive acetone detection in expired air, where the acetone concentration correlates with blood and urine glucose concentrations. The appearance of acetone in expired air is indicative of disorders that may be caused not only by diabetes but also be wrong diet, incorrect sportsmen training etc. To control the disorders one should know the acetone concentration in the human body. This knowledge allows one to judge upon the state of the patient, choose a correct diet that will not cause damage to the patient's health, determine sportsmen training efficiency and results and solve the artificial pancreas problem. Our device provide highly accurate analysis, rapid diagnostics and authentic acetone quantification in the patient's body at any time aimed at prediction of the patient's state and assessing the efficiency of the therapy used. Clinical implementation of the device will improve the health and save lives of many thousands of diabetes sufferers.

  8. Nitrate-Dependent Degradation of Acetone by Alicycliphilus and Paracoccus Strains and Comparison of Acetone Carboxylase Enzymes ▿

    PubMed Central

    Dullius, Carlos Henrique; Chen, Ching-Yuan; Schink, Bernhard

    2011-01-01

    A novel acetone-degrading, nitrate-reducing bacterium, strain KN Bun08, was isolated from an enrichment culture with butanone and nitrate as the sole sources of carbon and energy. The cells were motile short rods, 0.5 to 1 by 1 to 2 μm in size, which gave Gram-positive staining results in the exponential growth phase and Gram-negative staining results in the stationary-growth phase. Based on 16S rRNA gene sequence analysis, the isolate was assigned to the genus Alicycliphilus. Besides butanone and acetone, the strain used numerous fatty acids as substrates. An ATP-dependent acetone-carboxylating enzyme was enriched from cell extracts of this bacterium and of Alicycliphilus denitrificans K601T by two subsequent DEAE Sepharose column procedures. For comparison, acetone carboxylases were enriched from two additional nitrate-reducing bacterial species, Paracoccus denitrificans and P. pantotrophus. The products of the carboxylase reaction were acetoacetate and AMP rather than ADP. Sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) analysis of cell extracts and of the various enzyme preparations revealed bands corresponding to molecular masses of 85, 78, and 20 kDa, suggesting similarities to the acetone carboxylase enzymes described in detail for the aerobic bacterium Xanthobacter autotrophicus strain Py2 (85.3, 78.3, and 19.6 kDa) and the phototrophic bacterium Rhodobacter capsulatus. Protein bands were excised and compared by mass spectrometry with those of acetone carboxylases of aerobic bacteria. The results document the finding that the nitrate-reducing bacteria studied here use acetone-carboxylating enzymes similar to those of aerobic and phototrophic bacteria. PMID:21841031

  9. TOLUENE EXPERIMENTAL EXPOSURES IN HUMANS: PHARMACOKINETICS AND BEHAVIOR

    EPA Science Inventory

    Toluene Experimental Exposures in Humans:
    Pharmacokinetics and Behavioral Effects
    (Ongoing Research)

    Vernon A. Benignus1, Philip J. Bushnell2 and William K. Boyes2

    Human subjects will be exposed to 250 and 500 ppm toluene for one hour in the Human St...

  10. 78 FR 37818 - Request for Information on Toluene Diisocyanates

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-24

    ... Disease Control and Prevention (CDC) intends to evaluate the scientific data on toluene diissocyanate (TDI... exposures; (3) description of work tasks and scenarios with a potential for exposure to toluene diisocyanate; (4) information on control measures (e.g. engineering controls, work practices, personal...

  11. CARDIOVASCULAR AND THERMOREGULATORY RESPONSE TO ORAL TOLUENE IN THE RAT.

    EPA Science Inventory

    Toluene and other volatile organic compounds have often been shown to affect behavior in animals when given by inhalation, and less effective when given orally. Previous work showed that toluene increased heart rate (HR) and motor activity (MA), and reduced core temperature (Tc) ...

  12. Review of the epidemiological evidence relating toluene to reproductive outcomes.

    PubMed

    Bukowski, J A

    2001-04-01

    This review examines the epidemiological evidence for adverse reproductive outcomes from those occupational studies that present toluene-specific findings. Clinical investigations of the reproductive effects of toluene abuse are also examined. Six occupational studies reported associations between toluene and spontaneous abortion, two between toluene and congenital malformation, and three between toluene and reduced fertility. The spontaneous abortion studies provided the most suggestive evidence for an association with toluene. However, the potential for bias in some of these studies, the relatively homogeneous nature of the populations examined (e.g., four of the six studies evaluated similar groups of Finnish workers), and the multiple chemicals to which most workers were simultaneously exposed suggest cautious interpretation of these findings. Also, spontaneous abortion has generally not been observed as a major problem among highly exposed women who abuse toluene during pregnancy. The results of the occupational studies should be considered "hypothesis generating". Truly prospective studies with individually monitored data on toluene exposure and early fetal loss are needed to more definitively investigate this issue.

  13. The Genome of the Toluene-Degrading Pseudomonas veronii Strain 1YdBTEX2 and Its Differential Gene Expression in Contaminated Sand

    PubMed Central

    Morales, Marian; Sentchilo, Vladimir; Bertelli, Claire; Komljenovic, Andrea; Kryuchkova-Mostacci, Nadezda; Bourdilloud, Audrey; Linke, Burkhard; Goesmann, Alexander; Harshman, Keith; Segers, Francisca; Delapierre, Fabien; Fiorucci, Damien; Seppey, Mathieu; Trofimenco, Evgeniya; Berra, Pauline; El Taher, Athimed; Loiseau, Chloé; Roggero, Dejan; Sulfiotti, Madeleine; Etienne, Angela; Ruiz Buendia, Gustavo; Pillard, Loïc; Escoriza, Angelique; Moritz, Roxane; Schneider, Cedric; Alfonso, Esteban; Ben Jeddou, Fatma; Selmoni, Oliver; Resch, Gregory; Greub, Gilbert; Emery, Olivier; Dubey, Manupriyam; Pillonel, Trestan; Robinson-Rechavi, Marc; van der Meer, Jan Roelof

    2016-01-01

    The natural restoration of soils polluted by aromatic hydrocarbons such as benzene, toluene, ethylbenzene and m- and p-xylene (BTEX) may be accelerated by inoculation of specific biodegraders (bioaugmentation). Bioaugmentation mainly involves introducing bacteria that deploy their metabolic properties and adaptation potential to survive and propagate in the contaminated environment by degrading the pollutant. In order to better understand the adaptive response of cells during a transition to contaminated material, we analyzed here the genome and short-term (1 h) changes in genome-wide gene expression of the BTEX-degrading bacterium Pseudomonas veronii 1YdBTEX2 in non-sterile soil and liquid medium, both in presence or absence of toluene. We obtained a gapless genome sequence of P. veronii 1YdBTEX2 covering three individual replicons with a total size of 8 Mb, two of which are largely unrelated to current known bacterial replicons. One-hour exposure to toluene, both in soil and liquid, triggered massive transcription (up to 208-fold induction) of multiple gene clusters, such as toluene degradation pathway(s), chemotaxis and toluene efflux pumps. This clearly underlines their key role in the adaptive response to toluene. In comparison to liquid medium, cells in soil drastically changed expression of genes involved in membrane functioning (e.g., lipid composition, lipid metabolism, cell fatty acid synthesis), osmotic stress response (e.g., polyamine or trehalose synthesis, uptake of potassium) and putrescine metabolism, highlighting the immediate response mechanisms of P. veronii 1YdBTEX2 for successful establishment in polluted soil. PMID:27812150

  14. Study of gaseous benzene effects upon A549 lung epithelial cells using a novel exposure system.

    PubMed

    Mascelloni, Massimiliano; Delgado-Saborit, Juana Maria; Hodges, Nikolas J; Harrison, Roy M

    2015-08-19

    Volatile organic compounds (VOCs) are ubiquitous pollutants known to be present in both indoor and outdoor air arising from various sources. Indoor exposure has increasingly become a major cause of concern due to the effects that such pollutants can have on health. Benzene, along with toluene, is one of the main components of the VOC mixture and is a known carcinogen due to its genotoxic effects. The aim of this study was to test the feasibility of an in vitro model to study the short-term effects of exposure of lung cells to airborne benzene. We studied the effects of exposure on DNA and the production of reactive oxygen species (ROS) in A549 cells, exposed to various concentrations of benzene (0.03; 0.1; 0.3 ppm) in gaseous form using a custom designed cell exposure chamber. Results showed a concentration-dependent increase of DNA breaks and an increase of ROS production, confirming the feasibility of the experimental procedure and validating the model for further in vitro studies of exposure to other VOCs.

  15. Prognostic Aspects of Benzene Poisoning

    PubMed Central

    Hernberg, S.; Savilahti, M.; Ahlman, K.; Asp, S.

    1966-01-01

    In 1955, a benzene mass-poisoning was detected in a shoe factory in Finland. One hundred and forty-seven persons were heavily exposed, and more than 100 had abnormal blood counts. One died and 10 required hospital treatment. This paper deals with a re-examination of the involved workers nine years later. One hundred and twenty-five persons attended for re-examination. Eight had died, two refused, and 11 could not be located. The possibility of death due to benzene poisoning having occurred among these persons was ruled out by checking the national death register. Each of the subjects underwent a haematological examination which included the haemoglobin value and the erythrocyte, reticulocyte, leucocyte, and thrombocyte counts. A differential count of the leucocytes was also made. A randomly chosen group of 86 persons served as a control group. The thrombocytes of the whole patient group and the erythrocytes of the men were significantly lower than those of the controls, whereas the leucocytes of the whole group and the erythrocytes of the women failed to show any statistical difference. In a multiple discriminant function analysis, considering all three counts at the same time, only the men differed slightly from the controls at the re-examination. The analysis also showed that the prognosis of the severe cases did not differ from that of the mild ones, provided the acute stage had been passed. Some illustrative case reports are added. One patient developed leukaemia after a latency of seven years, whereas most of the others—chosen because of grave symptoms in the initial stage—have recovered. The results are discussed from the point of view of prognosis. PMID:5946130

  16. Gelation behaviour of a bent-core dihydrazide derivative: effect of incubation temperature in chloroform and toluene.

    PubMed

    Zhang, Chunxue; Zhang, Tianren; Ji, Nan; Zhang, Yan; Bai, Binglian; Wang, Haitao; Li, Min

    2016-02-07

    In this work, a new kind of gelator, 1,3-bis[(3,4-dioctyloxy phenyl) hydrazide]phenylene (BP8-C), containing two dihydrazide units as the rigid bent-core, has been synthesized and investigated. It was demonstrated that BP8-C is an efficient gelator which can gel various organic solvents, such as ethanol, benzene, toluene, chloroform, etc. Both an opaque gel (O-gel) and a transparent gel (T-gel), which is more stable, were obtained with BP8-C in chloroform at different incubation temperatures. Kinetic data based on fluorescence spectra revealed that the T-gels showed a larger Avrami parameter (n = 1.44 at 20 °C) than that of the O-gels (n = 1.21 for gelation at temperatures below 0 °C). While BP8-C did form the opaque gel in toluene, gelation took longer at lower incubation temperatures and even precipitated out below 0 °C. The kinetic Avrami analysis on sols of BP8-C with different concentrations shows a two-phrase mechanism, i.e. the n values are between 0.88 and 1.74 followed by 1.69 and 3.01 throughout the temperature range of 5 °C and 35 °C for 5.34 mg mL(-1) BP8-C in toluene, indicating that the fibers formed first and then bundled to produce compact networks. We propose that supersaturation governs the formation of gel in chloroform and that the diffusion process denominates gelation in toluene. XRD and FT-IR measurements confirmed that the xerogels prepared at different temperatures in different solvents exhibited a Col(h) structure and that there are three molecules in one columnar slice. Our results indicate that the gelation process, morphology of the gels and thus the final properties of the gels depend strongly on the preparation conditions such as temperature, solvent, concentration, etc.

  17. Acetone Powder From Dormant Seeds of Ricinus communis L

    NASA Astrophysics Data System (ADS)

    Cavalcanti, Elisa D. C.; Maciel, Fábio M.; Villeneuve, Pierre; Lago, Regina C. A.; Machado, Olga L. T.; Freire, Denise M. G.

    The influence of several factors on the hydrolytic activity of lipase, present in the acetone powder from dormant castor seeds (Ricinus communis) was evaluated. The enzyme showed a marked specificity for short-chain substrates. The best reaction conditions were an acid medium, Triton X-100 as the emulsifying agent and a temperature of 30°C. The lipase activity of the acetone powder of different castor oil genotypes showed great variability and storage stability of up to 90%. The toxicology analysis of the acetone powder from genotype Nordestina BRS 149 showed a higher ricin (toxic component) content, a lower 2S albumin (allergenic compound) content, and similar allergenic potential compared with untreated seeds.

  18. Toluene Diisocyanate (TDI) Disposition and Co-Localization of Immune Cells in Hair Follicles

    PubMed Central

    Nayak, Ajay P.; Hettick, Justin M.; Siegel, Paul D.; Anderson, Stacey E.; Long, Carrie M.; Green, Brett J.; Beezhold, Donald H.

    2014-01-01

    Diisocyanates (dNCOs) are potent chemical allergens utilized in various industries. It has been proposed that skin exposure to dNCOs produces immune sensitization leading to work-related asthma and allergic disease. We examined dNCOs sensitization by using a dermal murine model of toluene diisocyanate (TDI) exposure to characterize the disposition of TDI in the skin, identify the predominant haptenated proteins, and discern the associated antigen uptake by dendritic cells. Ears of BALB/c mice were dosed once with TDI (0.1% or 4% v/v acetone). Ears and draining lymph nodes (DLNs) were excised at selected time points between 1 h and 15 days post-exposure and were processed for histological, immunohistochemical, and proteomic analyses. Monoclonal antibodies specific for TDI-haptenated protein (TDI-hp) and antibodies to various cell markers were utilized with confocal microscopy to determine co-localization patterns. Histopathological changes were observed following exposure in ear tissue of mice dosed with 4% TDI/acetone. Immunohistochemical staining demonstrated TDI-hp localization in the stratum corneum, hair follicles, and sebaceous glands. TDI-hp were co-localized with CD11b+ (integrin αM/Mac-1), CD207+ (langerin), and CD103+ (integrin αE) cells in the hair follicles and in sebaceous glands. TDI-hp were also identified in the DLN 1 h post-exposure. Cytoskeletal and cuticular keratins along with mouse serum albumin were identified as major haptenated species in the skin. The results of this study demonstrate that the stratum corneum, hair follicles, and associated sebaceous glands in mice are dendritic cell accessible reservoirs for TDI-hp and thus identify a mechanism for immune recognition following epicutaneous exposure to TDI. PMID:24798378

  19. Lidar Measurements of Industrial Benzene Emissions

    NASA Astrophysics Data System (ADS)

    Berkhout, A. J. C.; van der Hoff, G. R.; Gast, L. F. L.

    2016-06-01

    The ability to measure benzene concentrations was added to the RIVM mobile DIAL system. In a ten-days campaign, it was used to measure benzene emissions in the Rijnmond, a heavily industrialised area in the South-west of the Netherlands with petrochemical industry, petrochemical products storage and the port of Rotterdam. On two of the ten days, benzene emissions were found. Combined with measurements of wind speed and wind direction, the Lidar measurements indicated the possible origins of these emissions. This makes the Lidar a valuable tool, augmenting the data collected at fixed monitoring stations.

  20. Comparison between urinary o-cresol and toluene as biomarkers of toluene exposure.

    PubMed

    Fustinoni, Silvia; Mercadante, Rosa; Campo, Laura; Scibetta, Licia; Valla, Carla; Consonni, Dario; Foà, Vito

    2007-01-01

    The characteristics of urinary o-cresol (o-C) and urinary toluene (TOL-U) as biomarkers of occupational exposure to toluene were comparatively evaluated. One hundred healthy male rotogravure printing workers and 161 male and female control subjects were studied. Personal exposure to airborne toluene (TOL-A) during the shift was determined as a time-weighted average. Simple analytical procedures based on solid phase microextraction followed by gas chromatography/mass spectometry analysis were applied to the determination of end-shift o-C and TOL-U. Median TOL-A was 48 (6.0-162.0) mg/m3 in printers and 0.021 (<0.003-0.137) mg/m3 in controls. o-C was 0.185 (0.032-0.948) mg/g creatinine in printers and 0.027 (<0.006-0.330) mg/g creatinine in the controls. TOL-U was 7.6 (1.8-23.9) microg/L in printers and 0.140 (0.094-0.593) microg/L in the controls. According to all indices, exposure to toluene was higher in printers than in the controls. Nevertheless, the distribution of o-C in the two groups partially overlapped, whereas such behavior was not found in TOL-U. Both o-C and TOL-U in printers were correlated with TOL-A (Pearson's on log10-transformed variables r = 0.704 and 0.844, respectively) and with each other (r = 0.683). Smoking habits significantly increased the excretion of o-C but not of TOL-U. From the point of view of sampling conditions and analytical requirements, TOL-U and o-C showed similar properties, but comparison of their intrinsic characteristics showed that TOL-U had higher specificity and sensitivity, lower background values, was better correlated with airborne exposure, and was not influenced by cigarette smoking. Therefore TOL-U may be considered superior to o-C as a biomarker of occupational exposure to toluene.

  1. 46 CFR 197.565 - Notifying personnel of benzene hazards.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 7 2012-10-01 2012-10-01 false Notifying personnel of benzene hazards. 197.565 Section... AND HEALTH STANDARDS GENERAL PROVISIONS Benzene § 197.565 Notifying personnel of benzene hazards. (a) Material safety data sheet. A material safety data sheet (MSDS) addressing benzene must be made...

  2. 46 CFR 197.565 - Notifying personnel of benzene hazards.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 7 2014-10-01 2014-10-01 false Notifying personnel of benzene hazards. 197.565 Section... AND HEALTH STANDARDS GENERAL PROVISIONS Benzene § 197.565 Notifying personnel of benzene hazards. (a) Material safety data sheet. A material safety data sheet (MSDS) addressing benzene must be made...

  3. 46 CFR 197.565 - Notifying personnel of benzene hazards.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 7 2011-10-01 2011-10-01 false Notifying personnel of benzene hazards. 197.565 Section... AND HEALTH STANDARDS GENERAL PROVISIONS Benzene § 197.565 Notifying personnel of benzene hazards. (a) Material safety data sheet. A material safety data sheet (MSDS) addressing benzene must be made...

  4. 46 CFR 197.565 - Notifying personnel of benzene hazards.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 7 2010-10-01 2010-10-01 false Notifying personnel of benzene hazards. 197.565 Section... AND HEALTH STANDARDS GENERAL PROVISIONS Benzene § 197.565 Notifying personnel of benzene hazards. (a) Material safety data sheet. A material safety data sheet (MSDS) addressing benzene must be made...

  5. 46 CFR 197.565 - Notifying personnel of benzene hazards.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 7 2013-10-01 2013-10-01 false Notifying personnel of benzene hazards. 197.565 Section... AND HEALTH STANDARDS GENERAL PROVISIONS Benzene § 197.565 Notifying personnel of benzene hazards. (a) Material safety data sheet. A material safety data sheet (MSDS) addressing benzene must be made...

  6. NASOPHARYNGEAL CONCENTRATIONS IN THE HUMAN VOLUNTEER BREATHING ACETONE

    EPA Science Inventory

    In an effort to examine the absorption of a common chemical into the nasopharyngeal region in humans, a 57 year old male volunteer inhaled uniformly labeled 13C-acetone at 1.4 ppm for 30 min while performing different breathing maneuvers; nose inhale, nose exhale (NINE); mouth ...

  7. Controlling tunnelling in methane loss from acetone ions by deuteration.

    PubMed

    Bodi, Andras; Baer, Tomas; Wells, Nancy K; Fakhoury, Daniel; Klecyngier, David; Kercher, James P

    2015-11-21

    Energetic acetone cations decay by methane or methyl radical loss. Although the methane-loss barrier to form the ketene cation is higher and the activation entropy is lower, it has a significant branching ratio at low energies thanks to quantum tunnelling. H-atom tunnelling can be selectively quenched and the methane-loss channel suppressed quantitatively by deuteration.

  8. Mechanistic Insights into Ring Cleavage and Contraction of Benzene over a Titanium Hydride Cluster.

    PubMed

    Kang, Xiaohui; Luo, Gen; Luo, Lun; Hu, Shaowei; Luo, Yi; Hou, Zhaomin

    2016-09-14

    Carbon-carbon bond cleavage of benzene by transition metals is of great fundamental interest and practical importance, as this transformation is involved in the production of fuels and other important chemicals in the industrial hydrocracking of naphtha on solid catalysts. Although this transformation is thought to rely on cooperation of multiple metal sites, molecular-level information on the reaction mechanism has remained scarce to date. Here, we report the DFT studies of the ring cleavage and contraction of benzene by a molecular trinuclear titanium hydride cluster. Our studies suggest that the reaction is initiated by benzene coordination, followed by H2 release, C6H6 hydrometalation, repeated C-C and C-H bond cleavage and formation to give a MeC5H4 unit, and insertion of a Ti atom into the MeC5H4 unit with release of H2 to give a metallacycle product. The C-C bond cleavage and ring contraction of toluene can also occur in a similar fashion, though some details are different due to the presence of the methyl substituent. Obviously, the facile release of H2 from the metal hydride cluster to provide electrons and to alter the charge population at the metal centers, in combination with the flexible metal-hydride connections and dynamic redox behavior of the trimetallic framework, has enabled this unusual transformation to occur. This work has not only provided unprecedented insights into the activation and transformation of benzene over a multimetallic framework but it may also offer help in the design of new molecular catalysts for the activation and transformation of inactive aromatics.

  9. [Epigenic modifications associated with low benzene exposure].

    PubMed

    Fustinoni, Silvia; Bollati, Valentina; Bertazzi, Pier Alberto

    2013-01-01

    DNA methylation, mitochondrial DNA copy number and telomeres shortening are cellular modifications associated with an increasing number of tumors, cardiovascular and aging diseases. In our studies these modifications were evaluated in subjects occupationally exposed to low levels of benzene and in the general population. In peripheral blood lymphocytes a decrease of DNA methylation with the increase of personal benzene exposure was found, both in Alu and LINE-1 repetitive elements, and in the global DNA. Telomere length shortening in subjects exposed to traffic exhausts and an increase in mitochondrial DNA copy number correlated to benzene exposure was also found. DNA methylation measured in specimen repeats collected at intervals of 8 years decreased more markedly in exposed subjects than in controls. Our studies highlighted the association of epigenetic modifications of DNA with low benzene exposure.

  10. Toluene alters p75NTR expression in the rat brainstem.

    PubMed

    Pascual, Jesús; Morón, Lena; Zárate, Jon; Gutiérrez, Arantza; Churruca, Itziar; Echevarría, Enrique

    2004-01-01

    Toluene is a neurotoxic organic solvent widely used in industry. Acute toluene administration in rats induced a significant increase in the numbers of neural cells immunostained for p75NTR in several brainstem regions, such as the raphe magnus and the nucleus of the solitary tract, as well as in the lateral reticular, gigantocellular, vestibular and ventral cochlear nuclei, without any in the facial and spinal trigeminal nuclei and the dorsal horn of the spinal cord. These data suggest that p75NTR could be involved in toluene-induced neurotoxic efffects in the rat brainstem.

  11. Solvent extraction of uranium(VI) into toluene by dicyclohexano-18-crown-6 from mixed aqueous-organic solutions.

    PubMed

    Shukla, J P; Kumar, A; Singh, R K

    1993-08-01

    Extraction behaviour of uranium(VI) from mixed organo-aqueous solutions containing water-miscible protic aliphatic alcohols and several aprotic solvents was investigated by using dicyclohexano-18-crown-6(DC18C6) as an extractant. The organic phase was a binary solution of DC18C6 and toluene while the polar phase was a three component solution of uranyl nitrate, polar additive and aqueous nitric acid. Methanol, ethanol, isobutanol, dioxane, acetone, propylene carbonate and acetonitrile were used as the organic components of the mixed (polar) phase. Propylene carbonate, acetone, acetonitrile and dioxane increased the extractability of U(VI), whereas alcoholic additives showed only an antagonistic effect. The relative increase in extraction was found to be more at lower nitric acid concentrations. Possible reasons for such behaviour are briefly discussed. Recovery of U(VI) from loaded organic phase was easily accomplished using dilute perchloric acid and sulphuric acid. A sample method was standardized for the separation of plutonium(IV) from uranium(VI) based on its reductive stripping.

  12. A fully integrated standalone portable cavity ringdown breath acetone analyzer

    NASA Astrophysics Data System (ADS)

    Sun, Meixiu; Jiang, Chenyu; Gong, Zhiyong; Zhao, Xiaomeng; Chen, Zhuying; Wang, Zhennan; Kang, Meiling; Li, Yingxin; Wang, Chuji

    2015-09-01

    Breath analysis is a promising new technique for nonintrusive disease diagnosis and metabolic status monitoring. One challenging issue in using a breath biomarker for potential particular disease screening is to find a quantitative relationship between the concentration of the breath biomarker and clinical diagnostic parameters of the specific disease. In order to address this issue, we need a new instrument that is capable of conducting real-time, online breath analysis with high data throughput, so that a large scale of clinical test (more subjects) can be achieved in a short period of time. In this work, we report a fully integrated, standalone, portable analyzer based on the cavity ringdown spectroscopy technique for near-real time, online breath acetone measurements. The performance of the portable analyzer in measurements of breath acetone was interrogated and validated by using the certificated gas chromatography-mass spectrometry. The results show that this new analyzer is useful for reliable online (online introduction of a breath sample without pre-treatment) breath acetone analysis with high sensitivity (57 ppb) and high data throughput (one data per second). Subsequently, the validated breath analyzer was employed for acetone measurements in 119 human subjects under various situations. The instrument design, packaging, specifications, and future improvements were also described. From an optical ringdown cavity operated by the lab-set electronics reported previously to this fully integrated standalone new instrument, we have enabled a new scientific tool suited for large scales of breath acetone analysis and created an instrument platform that can even be adopted for study of other breath biomarkers by using different lasers and ringdown mirrors covering corresponding spectral fingerprints.

  13. Benzene toxicity: emphasis on cytosolic dihydrodiol dehydrogenases

    SciTech Connect

    Bolcsak, L.E.

    1982-01-01

    Blood dyscrasias such as leukopenia and anemia have been clearly identified as consequences of chronic benzene exposure. The metabolites, phenol, catechol, and hydroquinone produced inhibition of /sup 59/Fe uptake in mice which followed the same time course as that produced by benzene. The inhibitor of benzene oxidation, 3-amino-1,2,4-triazole, mitigated the inhibitory effects of benzene and phenol only. These data support the contention that benzene toxicity is mediated by a metabolite and suggest that the toxicity of phenol is a consequence of its metabolism to hydroquinone and that the route of metabolism to catechol may also contribute to the production of toxic metabolite(s). The properties of mouse liver cytosolic dihydrodiol dehydrogenases were examined. These enzymes catalyze the NADP/sup +/-dependent oxidation of trans-1,2-dihydro-1,2-dihydroxybenzene (BDD) to catechol, a possible toxic metabolite of benzene produced via this metabolic route. Four distinct dihydrodiol dehydrogenases (DD1, DD2, DD3, and DD4) were purified to apparent homogeneity as judged by SDS polyacrylamide gel electrophoresis and isoelectric focusing. DD1 appeared to be identical to the major ketone reductase and 17..beta..-hydroxysteroid dehydrogenase activity in the liver. DD2 exhibited aldehyde reductase activity. DD3 and DD4 oxidized 17..beta..-hydroxysteroids, but no carbonyl reductase activity was detected. These relationships between BDD dehydrogenases and carbonyl reductase and/or 17..beta..-hydroxysteroid dehydrogenase activities were supported by several lines of evidence.

  14. Determinants of indoor benzene in Europe

    NASA Astrophysics Data System (ADS)

    Lai, H. K.; Jantunen, M. J.; Künzli, N.; Kulinskaya, E.; Colvile, R.; Nieuwenhuijsen, M. J.

    This study identified the key determinants associated with the indoor benzene concentrations that were measured between 1996 and 2000 using the EXPOLIS protocol in the residences of six European cities, including Athens (Greece), Basel (Switzerland), Helsinki (Finland), Milan (Italy), Oxford (United Kingdom), and Prague (Czech Republic). Two consecutive days of home indoor and home outdoor measurements of benzene were carried out at the homes of adult participants on different dates and seasons during the sampling period. Regression models, with interactions searched by all-possible subset method, were used to assess the city effects and the determinants of home indoor benzene (adjusted R2=0.57, n=412). Outdoor benzene concentrations, outdoor temperature, wind speed, the use of anti-moth products, and indoor smoking in terms of number of cigarettes consumed per day were shown to be the key determinants of indoor benzene concentrations. The model was further used to predict the indoor benzene levels in cities. Non-linear relationships were commonly found, indicating that a unit change in the indoor concentration cannot be simply estimated by a proportional change of the determinant, and the pattern of relationships could be differed in different places. This finding is important in formulating indoor air quality guidelines as well as calculating an accurate health risk estimate based on the estimates of population's lifetime exposure levels.

  15. DNA damage in lymphocytes of benzene exposed workers correlates with trans,trans-muconic acids and breath benzene levels.

    PubMed

    Sul, Donggeun; Lee, Eunil; Lee, Mi-Young; Oh, Eunha; Im, Hosub; Lee, Joohyun; Jung, Woon-Won; Won, Namhee; Kang, Hyung-Sik; Kim, Eun-Mi; Kang, Seong-Kyu

    2005-04-04

    Benzene causes many kinds of blood disorders in workers employed in many different environments. These diseases include myelodisplastic syndrome and acute and chronic myelocytic leukemia. In the present study, five occupational work places, including six industrial process types, namely, printing, shoe-making, methylene di-aniline (MDA), nitrobenzene, carbomer, and benzene production were selected, and the levels of breath benzene, and trans,trans-muconic acids (t,t-MA) and phenol in urine were evaluated, as well as hematological changes and lymphocyte DNA damage. The concentration of benzene in breath was less than 3 ppm in the workplaces, and benzene exposure was found to be higher in work places where benzene is used, than in those where benzene is produced. At low levels of benzene exposure, urinary t,t-MA correlated strongly with benzene in air. Highest Olive tail moments were found in workers producing carbomer. Levels of breathzone benzene were found to be strongly correlated with Olive tail moment values in the lymphocytes of workers, but not with hematological data in the six workplaces types. In conclusion, the highest benzene exposures found occurred in workers at a company, which utilized benzene in the production of carbomer. In terms of low levels of exposure to benzene, urinary t,t-MA and DNA damage exhibited a strong correlation with breath benzene, but not with hematological data. We conclude that breath benzene, t,t-MA and lymphocytic DNA damage are satisfactory biomonitoring markers with respect to benzene exposure in the workplace.

  16. Rheology of asphaltene-toluene/water interfaces.

    PubMed

    Sztukowski, Danuta M; Yarranton, Harvey W

    2005-12-06

    The stability of water-in-crude oil emulsions is frequently attributed to a rigid asphaltene film at the water/oil interface. The rheological properties of these films and their relationship to emulsion stability are ill defined. In this study, the interfacial tension, elastic modulus, and viscous modulus were measured using a drop shape analyzer for model oils consisting of asphaltenes dissolved in toluene for concentrations varying from 0.002 to 20 kg/m(3). The effects of oscillation frequency, asphaltene concentration, and interface aging time were examined. The films exhibited viscoelastic behavior. The total modulus increased as the interface aged at all asphaltene concentrations. An attempt was made to model the rheology for the full range of asphaltene concentration. The instantaneous elasticity was modeled with a surface equation of state (SEOS), and the elastic and viscous moduli, with the Lucassen-van den Tempel (LVDT) model. It was found that only the early-time data could be modeled using the SEOS-LVDT approach; that is, the instantaneous, elastic, and viscous moduli of interfaces aged for at most 10 minutes. At longer interface aging times, the SEOS-LVDT approach was invalid, likely because of irreversible adsorption of asphaltenes on the interface and the formation of a network structure.

  17. A Role for Regulatory T Cells in a Murine Model of Epicutaneous Toluene Diisocyanate Sensitization

    PubMed Central

    Long, Carrie Mae; Marshall, Nikki B.; Lukomska, Ewa; Kashon, Michael L.; Meade, B. Jean; Shane, Hillary; Anderson, Stacey E.

    2016-01-01

    Toluene diisocyanate (TDI) is a leading cause of chemical-induced occupational asthma which impacts workers in a variety of industries worldwide. Recently, the robust regulatory potential of regulatory T cells (Tregs) has become apparent, including their functional role in the regulation of allergic disease; however, their function in TDI-induced sensitization has not been explored. To elucidate the kinetics, phenotype, and function of Tregs during TDI sensitization, BALB/c mice were dermally exposed (on each ear) to a single application of TDI (0.5–4% v/v) or acetone vehicle and endpoints were evaluated via RT-PCR and flow cytometry. The draining lymph node (dLN) Treg population expanded significantly 4, 7, and 9 days after single 4% TDI exposure. This population was identified using a variety of surface and intracellular markers and was found to be phenotypically heterogeneous based on increased expression of markers including CD103, CCR6, CTLA4, ICOS, and Neuropilin-1 during TDI sensitization. Tregs isolated from TDI-sensitized mice were significantly more suppressive compared with their control counterparts, further supporting a functional role for Tregs during TDI sensitization. Last, Tregs were depleted prior to TDI sensitization and an intensified sensitization response was observed. Collectively, these data indicate that Tregs exhibit a functional role during TDI sensitization. Because the role of Tregs in TDI sensitization has not been previously elucidated, these data contribute to the understanding of the immunologic mechanisms of chemical induced allergic disease. PMID:27103660

  18. Dynamics of Na(+)(Benzene) + Benzene Association and Ensuing Na(+)(Benzene)2* Dissociation.

    PubMed

    Paul, Amit K; Kolakkandy, Sujitha; Hase, William L

    2015-07-16

    Chemical dynamics simulations were used to study Bz + Na(+)(Bz) → Na(+)(Bz)2* association and the ensuing dissociation of the Na(+)(Bz)2* cluster (Bz = benzene). An interesting and unexpected reaction found from the simulations is direct displacement, for which the colliding Bz molecule displaces the Bz molecule attached to Na(+), forming Na(+)(Bz). The rate constant for Bz + Na(+)(Bz) association was calculated at 750 and 1000 K, and found to decrease with increase in temperature. By contrast, the direct displacement rate constant increases with temperature. The cross section and rate constant for direct displacement are approximately an order of magnitude lower than those for association. The Na(+)(Bz)2* cluster, formed by association, dissociates with a biexponential probability, with the rate constant for the short-time component approximately an order of magnitude larger than that for the longer time component. The latter rate constant agrees with that of Rice-Ramsperger-Kassel-Marcus (RRKM) theory, consistent with rapid intramolecular vibrational energy redistribution (IVR) and intrinsic RRKM dynamics for the Na(+)(Bz)2* cluster. A coupled phase space model was used to analyze the biexponential dissociation probability.

  19. Measurement of the diffusion coefficient of acetone in succinonitrile at its melting point

    NASA Technical Reports Server (NTRS)

    Chopra, M. A.; Glicksman, M. E.; Singh, N. B.

    1988-01-01

    The diffusion coefficient of acetone in liquid succinonitrile at 331.1 K was determined using the method of McBain and Dawson (1935). Only dilute mixtures of SCN-acetone were studied. The interdiffusion constant was determined to be 0.0000127 sq cm/s and was essentially independent of the acetone concentration over the range investigated (0.5 to 18 mol pct acetone).

  20. Calculation of total and ionization cross sections for electron scattering by primary benzene compounds

    NASA Astrophysics Data System (ADS)

    Singh, Suvam; Naghma, Rahla; Kaur, Jaspreet; Antony, Bobby

    2016-07-01

    The total and ionization cross sections for electron scattering by benzene, halobenzenes, toluene, aniline, and phenol are reported over a wide energy domain. The multi-scattering centre spherical complex optical potential method has been employed to find the total elastic and inelastic cross sections. The total ionization cross section is estimated from total inelastic cross section using the complex scattering potential-ionization contribution method. In the present article, the first theoretical calculations for electron impact total and ionization cross section have been performed for most of the targets having numerous practical applications. A reasonable agreement is obtained compared to existing experimental observations for all the targets reported here, especially for the total cross section.

  1. Sudden death from toluene intoxication: a case report and review of literature.

    PubMed

    Prayulsatien, Weerapong

    2013-09-01

    Toluene is an aromatic hydrocarbon (C7H8) found in gasoline, acrylic paints, varnishes, lacquers, paint thinners, adhesives, and shoe polish. Toluene toxicity can occur from unintentional or deliberate inhalation of fumes, ingestion, or transdermal absorption. Unintentional exposure to high concentrations of toluene results in severe toluene intoxication. This is a report of toluene poisoning in a middle-age man found dead at home after varnish application by spray. There was no obvious external and internal cause of death. The blood test revealed the presence of toluene. The cause of death was diagnosed as cardiopulmonary failure caused by toluene, which is a rare case report in Thailand.

  2. Toluene Diffusion and Reaction in Unsaturated Pseudomonas putida Biofilms

    PubMed Central

    Holden, Patricia A.; Hunt, James R.; Firestone, Mary K.

    2010-01-01

    Biofilms are frequently studied in the context of submerged or aquatic systems. However, much less is known about biofilms in unsaturated systems, despite their importance to such processes as food spoilage, terrestrial nutrient cycling, and biodegradation of environmental pollutants in soils. Using modeling and experimentation, we have described the biodegradation of toluene in unsaturated media by bacterial biofilms as a function of matric water potential, a dominant variable in unsaturated systems. We experimentally determined diffusion and kinetic parameters for Pseudomonas putida biofilms, then predicted biodegradation rates over a range of matric water potentials. For validation, we measured the rate of toluene depletion by intact biofilms and found the results to reasonably follow the model predictions. The diffusion coefficient for toluene through unsaturated P. putida biofilm averaged 1.3 × 10−7 cm2/s, which is approximately two orders of magnitude lower than toluene diffusivity in water. Our studies show that, at the scale of the microbial biofilm, the diffusion of toluene to biodegrading bacteria can limit the overall rate of biological toluene depletion in unsaturated systems. PMID:18642338

  3. Isotope fractionation of benzene during partitioning - Revisited.

    PubMed

    Kopinke, F-D; Georgi, A; Imfeld, G; Richnow, H-H

    2017-02-01

    Isotope fractionation between benzene-D0 and benzene-D6 caused by multi-step partitioning of the benzenes between water and two organic solvents, n-octane and 1-octanol, as well as between water and the gas phase, was measured. The obtained fractionation factors αH = KH/KD are αH = 1.080 ± 0.015 and αH = 1.074 ± 0.015 for extraction into n-octane and 1-octanol, respectively, and αH = 1.049 ± 0.010 for evaporation from aqueous solution. The comparison of solvent- and gas-phase partitioning reveals that about 2/3 of the driving force of fractionation is due to different interactions in the aqueous phase, whereas 1/3 is due to different interactions in the organic phase. The heavy benzene isotopologue behaves more 'hydrophilically' and the light one more 'hydrophobically'. This synergistic alignment gives rise to relatively large fractionation effects in partitioning between water and non-polar organic matter. In contrast to a previous study, there is no indication of strong fractionation by specific interactions between benzene and octanol. Partitioning under non-equilibrium conditions yields smaller apparent fractionation effects due to opposite trends of thermodynamic and kinetic fractionation parameters, i.e. partition and diffusion coefficients of the isotopologues. This may have consequences which should be taken into account when considering isotope fractionation due to sorption in environmental compartments.

  4. Evaluation of unbound free heme in plant cells by differential acetone extraction.

    PubMed

    Espinas, Nino A; Kobayashi, Koichi; Takahashi, Shigekazu; Mochizuki, Nobuyoshi; Masuda, Tatsuru

    2012-07-01

    Heme functions not only as a prosthetic group of hemoproteins but also as a regulatory molecule, suggesting the presence of 'free' heme. Classically, total non-covalently bound heme is extracted from plant samples with acidic acetone after removal of pigments with basic and neutral acetone. Earlier work proposed that free heme can be selectively extracted into basic acetone. Using authentic hemoproteins, we confirmed that acidic acetone can quantitatively extract heme, while no heme was extracted into neutral acetone. Meanwhile, a certain amount of heme was extracted into basic acetone from hemoglobin and myoglobin. Moreover, basic acetone extracted loosely bound heme from bovine serum albumin, implying that the nature of hemoproteins largely influences heme extraction into basic acetone. Using a highly sensitive heme assay, we found that basic and neutral acetone can extract low levels of heme from plant samples. In addition, neutral acetone quantitatively extracted free heme when it was externally added to plant homogenates. Furthermore, the level of neutral acetone-extractable heme remained unchanged by precursor (5-aminolevulinic acid) feeding, while increased by norflurazon treatment which abolishes chloroplast biogenesis. However, changes in these heme levels did not correlate to genomes uncoupled phenotypes, suggesting that the level of unbound free heme would not affect retrograde signaling from plastids to the nucleus. The present data demonstrate that the combination of single-step acetone extraction following a sensitive heme assay is the ideal method for determining total and free heme in plants.

  5. Kinetics of proton transfer between ortho substituted benzoic acids and the carbinol base of crystal violet in toluene. Ortho effect on the reactivity of benzoic acids in apolar aprotic solvents.

    PubMed

    Sen Gupta, Susanta K; Mishra, Sangeeta

    2011-05-12

    Apolar aprotic solvents are particularly advantageous for investigating the intrinsic ortho effect free from complications of specific solvent effects. A kinetic study for toluene-phase proton transfers between ortho F, Cl, Br, I, OMe, OEt, OPh, OAc, Me, NO(2), COMe, COPh, OH, NH(2), and H benzoic acids and crystal violet carbinol base has shown the forward rate constant (log k(+1)) is the most appropriate reactivity parameter in toluene. log k(+1) (toluene) as compared to other reported reactivity parameters in benzene, toluene, or chlorobenzene has been found more sensitive to the ortho substituent effect. The regression results of the correlation of log k(+1) (toluene) of the acids (except OH and NH(2) substituted ones) according to seven ortho effect models are all very significant, and the best result is given by Fujita-Nishioka's model. The overall analysis reveals that a substituent's ortho effect pattern is a 58:24:18 ratio of its ordinary electrical, proximity electrical, and steric effects and that the proximity electrical effect is the major component to account for the peculiarity of the substituent's ortho effect. The results further favor the transmission of this effect mainly through the molecular cavity. The effect may, however, be outweighed by the steric component for bulky enough substituents, e.g., Me. The enhanced strength exhibited by salicylic acid in toluene has been quantitatively described using Pytela-Liška's σ(HB)(i) parameter. The abnormally high log k(+1) observed for anthranilic acid in toluene has been ascribed to a very extensive homoconjugation in its acid-acid anion complex induced by the acid's three hydrogen bond donors.

  6. Benzene toxicity of the occurrence of benzene in the ambient air of the Houston area

    SciTech Connect

    Lin, Y.C.

    1980-01-01

    This study was conducted by either literature review or actual field survey. Results are summarized as follows: (1) long-term occupational exposure of workers to benzene vapor at levels of 3 to 7 ppM, 2 to 3 ppM and 1.6 ppM may result in a decreased level of leucocyte alkaline phosphates, an increased incidence of chromosome aberrations and an increased level of ALA in erythrocytes, respectively; (2) benzene is capable of causing fetotoxic effects in animals at levels as low as 10 ppM by volume; (3) exposure of animals to or less than 1 ppM benzene vapor may result in leucopenia, an inverse ratio of muscle antagonist chronaxy and a decreased level of ascorbic acid in fetus's and mother's liver as well as whole embryo; (4) benzene is causally associated with the increased incidence of pancytopenia, including unicytopenia, bicytopenia and aplastic anemia, and chromosome aberrations in occupational exposure population, and at best benzene must also be considered as a leukemogen; (5) since it can be emitted into the atmosphere from both man-made and natural sources, benzene in some concentrations is presented everywhere in the various compartments of the environment; (6) the findings of the emission of benzene from certain natural sources indicate that reducing benzene to a zero-level of exposure is theoretically impossible; (7) the annual average of benzene concentration detected in the Houston ambient air is 2.50 ppB, which is about 2.4 times higher than the nation-wide annual average exposure level and may have some health implications to the general public; and (8) in the Houston area, stationary sources are more important than mobile sources in contributing to benzene in the ambient air.

  7. Methyl rotor dependent vibrational interactions in toluene.

    PubMed

    Gascooke, Jason R; Lawrance, Warren D

    2013-04-07

    The methyl rotor dependence of a three state Fermi resonance in S1 toluene at ∼460 cm(-1) has been investigated using two-dimensional laser induced fluorescence. An earlier time-resolved study has shown the Fermi resonance levels to have different energy spacings at the two lowest methyl rotor states, m = 0 and 1 [J. A. Davies, A. M. Green, and K. L. Reid, Phys. Chem. Chem. Phys. 12, 9872 (2010)]. The overlapped m = 0 and 1 spectral features have been separated to provide direct spectral evidence for the m dependence of the resonance. The resonance has been probed at m = 3a(") 1 for the first time and found to be absent, providing further evidence for a large change in the interaction with m. Deperturbing the resonance at m = 0 and 1 reveals that the m dependence arises through differences in the separations of the "zero-order," locally coupled states. It is shown that this is the result of the local "zero-order" states being perturbed by long-range torsion-vibration coupling that shifts their energy by small amounts. The m dependence of the shifts arises from the Δm = ±3n (n = 1, 2, ...) coupling selection rule associated with torsion-rotation coupling in combination with the m(2) scaling of the rotor energies, which changes the ΔE for the interaction for each m. There is also an increase in the number of states that can couple to m = 1 compared with m = 0. Consideration of the magnitude of reported torsion-rotation coupling constants suggests that this effect is likely to be pervasive in molecules with methyl rotors.

  8. Enhanced Acetone Sensing Characteristics of ZnO/Graphene Composites.

    PubMed

    Zhang, Hao; Cen, Yuan; Du, Yu; Ruan, Shuangchen

    2016-11-09

    ZnO/graphene (ZnO-G) hybrid composites are prepared via hydrothermal synthesis with graphite, N-methyl-pyrrolidone (NMP), and Zn(NO₃)₂·6H₂O as the precursors. The characterizations, including X-ray diffraction (XRD), thermogravimetric analyses (TGA), Raman spectroscopy, and transmission electron microscopy (TEM) indicate the formation of ZnO-G. Gas sensors were fabricated with ZnO-G composites and ZnO as sensing material, indicating that the response of the ZnO towards acetone was significantly enhanced by graphene doping. It was found that the ZnO-G sensor exhibits remarkably enhanced response of 13.3 at the optimal operating temperature of 280 °C to 100 ppm acetone, an improvement from 7.7 with pure ZnO.

  9. Economic evaluation of the acetone-butane fermentation

    SciTech Connect

    Lenz, T.G.; Moreira, A.R.

    1980-01-01

    The economics of producing acetone as 1-butanol via fermentation have been examined for a 45 x 1 kg of solvents/year plant. For a molasses substrate the total annual production costs were approximately $39 million vs. a total annual income of $36 million, with approximatley $20 million total required capital. Molasses cost of approximately $24.4 million/year was critical to these economics. Liquid whey was next evaluated as an alternative feed. Whey feed saved approximately 11 million dollars annually in feed costs and yielded approximately 8 million net additional annual revenues from protein sale. The primary differences gave an annual gross profit of approximately $15 million for the whey case and resulted in a discounted cash flow rate return of 29%. Waste-based acetone-butanol production via fermentation deserves further attention in view of the attractive whey-based economics and the excellent potential of butanol as a fuel extender, especially for diesohol blending.

  10. Enhanced Acetone Sensing Characteristics of ZnO/Graphene Composites

    PubMed Central

    Zhang, Hao; Cen, Yuan; Du, Yu; Ruan, Shuangchen

    2016-01-01

    ZnO/graphene (ZnO-G) hybrid composites are prepared via hydrothermal synthesis with graphite, N-methyl-pyrrolidone (NMP), and Zn(NO3)2·6H2O as the precursors. The characterizations, including X-ray diffraction (XRD), thermogravimetric analyses (TGA), Raman spectroscopy, and transmission electron microscopy (TEM) indicate the formation of ZnO-G. Gas sensors were fabricated with ZnO-G composites and ZnO as sensing material, indicating that the response of the ZnO towards acetone was significantly enhanced by graphene doping. It was found that the ZnO-G sensor exhibits remarkably enhanced response of 13.3 at the optimal operating temperature of 280 °C to 100 ppm acetone, an improvement from 7.7 with pure ZnO. PMID:27834870

  11. Effect of Coadsorbed Water on the Photodecomposition of Acetone on TiO2(110)

    SciTech Connect

    Henderson, Michael A.

    2008-06-10

    The influence of coadsorbed water on the photodecomposition of acetone on TiO2 was examined using temperature programmed desorption (TPD) and the rutile TiO2(110) surface as a model photocatalyst. Of the two major influences ascribed to water in the heterogeneous photocatalysis literature (promotion via OH radical supply and inhibition due to site blocking), only the negative influence of water was observed. As long as the total water and acetone coverage was maintained well below the first layer saturation coverage (‘1 ML’), little inhibition of acetone photodecomposition was observed. However, as the total water+acetone coverage exceeded 1 ML, acetone was preferentially displaced from the first layer to physisorbed states by water and the extent of acetone photodecomposition attenuated. The displacement originated from water compressing acetone into high coverage regions where increased acetone-acetone repulsions caused displacement from the first layer. The immediate product of acetone photodecomposition was adsorbed acetate, which occupies twice as many surface sites per molecule as compared to acetone. Since the acetate intermediate was more stable on the TiO2(110) surface than either water or acetone (as gauged by TPD) and since its photodecomposition rate was less than that of acetone, additional surface sites were not opened up during acetone photodecomposition for previously displaced acetone molecules to re-enter the first layer. Results in this study suggest that increased molecular-level repulsions between organic molecules brought about by increased water coverage are as influential in the inhibiting effect of water on photooxidation rates as are water-organic repulsions.

  12. Pervaporation of ethanol and acetone above normal boiling temperatures

    SciTech Connect

    Windmoeller, D.; Galembeck, F. )

    1992-08-01

    Pervaporation experiments were performed at higher than normal feed liquid boiling temperatures by applying pressure to the feed compartment. Ethanol, acetone, and aqueous ethanol solutions were pervaporated through silicone rubber dense membranes. Large increases were observed in the permeate flow as the temperature rose above the liquid boiling temperature. Separation factors in aqueous ethanol pervaporation are not affected by these increases in permeate output, and they are in the same range as those obtained in conventional pervaporation.

  13. Reverse osmosis application for butanol-acetone fermentation

    SciTech Connect

    Garcia, A.; Iannotti, E.L.; Fischer, J.R.

    1984-01-01

    The problems of dilute solvent concentration in butanol-acetone fermentation can be solved by using reverse osmosis to dewater the fermentation liquor. Polyamide membranes exhibited butanol rejection rates as high as 85%. Optimum rejection of butanol occurs at a pressure of approximately 5.5 to 6.5 MPa and hydraulic recoveries of 50-70%. Flux ranged from 0.5 to 1.8 l.

  14. Self-Associating Behavior of Acetone in Liquid Krypton.

    PubMed

    De Beuckeleer, Liene I; Herrebout, Wouter A

    2016-02-18

    Acetone molecules are inclined to self-associate through dipole-dipole interactions because of their large dipole moment. Infrared spectroscopy of compounds dissolved in liquid noble gases supported by high level ab initio calculations allows investigating the self-associating behavior and determining the thermodynamical properties. In this study, infrared spectra of various concentrations of acetone dissolved in liquid krypton are recorded at constant temperature. Overlapping monomer and dimer spectra are separated by analyzing the obtained data sets with numerical methods based on least-squares fitting. Although acetone is known to self-associate, only a few spectral features have been presented in literature before. In this study, the application of new numerical approaches succeeds in resolving overlapping spectra and allows observing isolated acetone dimer absorption bands for the complete mid infrared spectrum. By use of data sets of spectra recorded at temperatures between 134 and 142 K, the experimental standard dimerization enthalpy was determined to be -10.8 kJ mol(-1). MP2/aug-cc-pVDZ calculations predicted a stacked and planar dimer geometry of which the stacked geometry is more stable. Combining MP2 energies and single point corrections involving CCSD(T) calculations and complete basis set extrapolations based on the MP2/aug-cc-pVDZ equilibrium geometry lead to complexation energy of -28.4 kJ mol(-1) for the stacked geometry and -15.1 kJ mol(-1) for the planar geometry. The corresponding values for the complexation enthalpies in solution, obtained by combining these values with corrections for thermal and solvent influences are -13.7 and -5.8 kJ mol(-1).

  15. [Exposure to benzene of service station employees and composition of benzene].

    PubMed

    Lagorio, S; Fuselli, S; Iavarone, I; Vanacore, N; Carere, A

    1994-01-01

    The International Agency for Research on Cancer (IARC) classifies gasoline vapours and exhaust fumes from gasoline fueled automobiles as potential human carcinogens. Data on the chemical composition of gasoline marketed in Italy and especially on the concentration of benzene, are rather poor. Within the framework of an investigation aimed at assessing the mean annual level of exposure to aromatic hydrocarbons among gasoline pump attendants, made on a sample of attendants in Rome between December 1991 and November 1992, samples of gasoline were also collected so as to determine the benzene content of the gasoline over the investigation period, assess the variability of benzene concentration in the various gasolines and according to the season of the year, and take account of gasoline composition in analysing the factors determining individual exposure levels of pump attendants. Benzene exposure was measured via gas chromatography of air samples obtained with personal pumps in the breathing zone. The mean benzene exposure level (8 h TWA) of the 27 subjects under study was 1.73 mg/m3 (SD = 5.53). The benzene concentration in the samples of gasoline, which were collected on the same day as personal exposure monitoring was performed, was measured by means of high resolution gas chromatography (hr-GC). Mean benzene levels of 25.03 g/l (SD = 3.47), equivalent to 2.86% by volume, were measured in 24 samples of alkylated gasoline, and mean levels of 23.18 g/l (SD = 3.93), equivalent to 2.65% v/v, were measured in 10 samples of lead-free gasoline. Statistically significant associations were found between individual exposure to benzene and the quantity of gasoline pumped (r = 0.69) and the quantity of benzene present in the gasoline sold on the day monitoring was performed (r = 0.70). Using regression analysis, the estimated increase in the level of personal benzene exposure was 0.01 mg/m3 for every increase of 100 g in the benzene content of the total amount of gasoline sold

  16. Molecular interaction forces in acetone + ethanol binary liquid solutions: FTIR and theoretical studies

    NASA Astrophysics Data System (ADS)

    Jadhav, Deepali L.; Karthick, N. K.; Kannan, P. P.; Shanmugam, R.; Elangovan, A.; Arivazhagan, G.

    2017-02-01

    FTIR spectra of neat acetone, ethanol and their binary solutions at the molar ratios 0.2:0.8 (ethanol: acetone), 0.4:0.6, 0.6:0.4 and 0.8:0.2 have been recorded at room temperature. Theoretical calculations have also been made on acetone (monomer and dimer), ethanol monomer, dimer, trimer, tetramer, pentamer, hexamer and ethanol - acetone complex molecules. 4:1 (ethanol:acetone), 5:1 and 6:2 complexation through the classical Cdbnd O⋯Hsbnd O and (acetone) Csbnd H⋯Osbnd C(ethanol) hydrogen bonds has been identified. Ethanol rich solutions may consist of ethanol multimers such as tetramer, pentamer and hexamer along with 4:1, 5:1 and 6:2 complex molecules depending upon ethanol concentration. Acetone seems to exist as a mixture of monomer and dimer.

  17. Improvement of 2,4-dinitrophenylhydrazine derivatization method for carbon isotope analysis of atmospheric acetone.

    PubMed

    Wen, Sheng; Yu, Yingxin; Guo, Songjun; Feng, Yanli; Sheng, Guoying; Wang, Xinming; Bi, Xinhui; Fu, Jiamo; Jia, Wanglu

    2006-01-01

    Through simulation experiments of atmospheric sampling, a method via 2,4-dinitrophenylhydrazine (DNPH) derivatization was developed to measure the carbon isotopic composition of atmospheric acetone. Using acetone and a DNPH reagent of known carbon isotopic compositions, the simulation experiments were performed to show that no carbon isotope fractionation occurred during the processes: the differences between the predicted and measured data of acetone-DNPH derivatives were all less than 0.5 per thousand. The results permitted the calculation of the carbon isotopic compositions of atmospheric acetone using a mass balance equation. In this method, the atmospheric acetone was collected by a DNPH-coated silica cartridge, washed out as acetone-DNPH derivatives, and then analyzed by gas chromatography/combustion/isotope ratio mass spectrometry (GC/C/IRMS). Using this method, the first available delta13C data of atmospheric acetone are presented.

  18. Carbon disulfide assisted polymerization of benzene.

    PubMed

    Zhou, Mi; Li, Zhanlong; Men, Zhiwei; Gao, Shuqin; Li, Zuowei; Lu, Guohui; Sun, Chenglin

    2012-03-01

    The chemical transformation of benzene (C(6)H(6)) and carbon disulfide (CS(2)) binary solution under high pressure condition is investigated by means of Raman spectroscopy up to 6.8 GPa. On increasing the pressure, all the Raman bands of benzene decrease in intensity, whereas new broad bands start to be observed at 1520 and 1450 cm(-1), indicating that a highly cross-linked polymer is formed. The recovered sample is analyzed through Raman and FT-IR spectroscopy and is identified as a saturated hydrocarbon and element sulfur.

  19. Benzene partial hydrogenation: advances and perspectives.

    PubMed

    Foppa, Lucas; Dupont, Jairton

    2015-04-07

    The partial hydrogenation of benzene to cyclohexene is an economically interesting and technically challenging reaction. Over the last four decades, a lot of work has been dedicated to the development of an exploitable process and several approaches have been investigated. However, environmental constraints often represent a limit to their industrial application, making further research in this field necessary. The goal of this review is to highlight the main findings of the different disciplines involved in understanding the governing principles of this reaction from a sustainable chemistry standpoint. Special emphasis is given to ruthenium-catalyzed liquid phase batch hydrogenation of benzene.

  20. Acetone and Acetaldehyde Exchange Above a Managed Temperate Mountain Grassland

    NASA Astrophysics Data System (ADS)

    Hörtnagl, L. J.; Bamberger, I.; Graus, M.; Ruuskanen, T.; Schnitzhofer, R.; Hansel, A.; Wohlfahrt, G.

    2011-12-01

    The exchange of acetone and acetaldehyde was measured above an intensively managed hay meadow in the Stubai Valley (Tyrol, Austria) during the growing seasons in 2008 and 2009. Half-hourly fluxes of both compounds were calculated by means of the virtual disjunct eddy covariance (vDEC) method by combining the 3-dimensional wind data from a sonic anemometer with the compound specific volume mixing ratios quantified with a proton-transfer-reaction mass spectrometer (PTR-MS). The cutting of the meadow resulted in the largest perturbation of the VOC exchange rates. Peak emissions for both VOC species were observed during and right after the cutting of the meadow, with rates of up to 12.1 and 10.1 nmol m-2 s-1 for acetaldehyde and acetone, respectively, reflecting the drying of the wounded plant material. During certain time periods, undisturbed by management events, both compounds exhibited a clear diurnal cycle. Emission rates of up to 3.7 nmol m-2 s-1 for acetaldehyde and 3.2 nmol m-2 s-1 for acetone were measured in October 2008, while a uptake of both compounds with rates of up to 1.8 and 2.1 nmol m-2 s-1, respectively, could be observed in May 2009, when also clear compensation points of 0.3 ppb for acetaldehyde and 1.0 ppb for acetone were observed. In an effort to explore the controls on observed exchange patterns, a simple and multiple linear regression analysis was conducted. A clear interconnection between VOC concentrations and VOC exchange could be seen only in May 2009, when concentration values alone explained 30.6% and 11.7% of the acetaldehyde and acetone flux variance, respectively. However, when trying to predict the observed exchange patterns of both VOC species in a multiple linear regression based on supporting environmental measurements - including air and soil temperature, soil water content and PAR among others - the analysis yielded unsatisfactory results, accounting for 10% and 4% of the observed acetaldehyde and acetone flux variance over both

  1. Experimental studies on benzene carcinogenicity at the Bologna Institute of Oncology: current results and ongoing research.

    PubMed

    Maltoni, C; Conti, B; Cotti, G; Belpoggi, F

    1985-01-01

    In 1977 Maltoni and Scarnato were the first to demonstrate that benzene is an experimental carcinogen in rats. With that and other experiments, Maltoni et al have shown that benzene administered by ingestion (stomach tube) or inhalation is a multipotential carcinogen in rats (of two different strains) and mice and produces a variety of tumors, namely: Zymbal gland carcinomas, oral and nasal cavity carcinomas, skin carcinomas, acanthomas, dysplasias and carcinomas of forestomach, mammary malignant tumors, hepatomas, liver angiosarcomas, hemolymphoreticular neoplasias, and pulmonary tumors. The incidence of Zymbal gland carcinomas and carcinomas of the oral and nasal cavities is affected by the length of treatment by inhalation and by the age of animals. However, the available epidemiological and experimental data at present do not provide precise information on the risk of doses around or below 10 ppm. Long-term carcinogenicity bioassays at 50, 25, 10, 5 and 1 ppm may be helpful for scientific risk assessment. In addition, these experiments have shown that toluene, xylene, and ethylbenzene, at high concentrations, cause an increase in the number of total malignant tumors.

  2. Novel Pathway of Toluene Catabolism in the Trichloroethylene-Degrading Bacterium G4

    PubMed Central

    Shields, Malcolm S.; Montgomery, Stacy O.; Chapman, Peter J.; Cuskey, Stephen M.; Pritchard, P. H.

    1989-01-01

    o-Cresol and 3-methylcatechol were identified as successive transitory intermediates of toluene catabolism by the trichloroethylene-degrading bacterium G4. The absence of a toluene dihydrodiol intermediate or toluene dioxygenase and toluene dihydrodiol dehydrogenase activities suggested that G4 catabolizes toluene by a unique pathway. Formation of a hybrid species of 18O- and 16O-labeled 3-methylcatechol from toluene in an atmosphere of 18O2 and 16O2 established that G4 catabolizes toluene by successive monooxygenations at the ortho and meta positions. Detection of trace amounts of 4-methylcatechol from toluene catabolism suggested that the initial hydroxylation of toluene was not exclusively at the ortho position. Further catabolism of 3-methylcatechol was found to proceed via catechol-2,3-dioxygenase and hydroxymuconic semialdehyde hydrolase activities. PMID:16347956

  3. Toluene in sewage and sludge in wastewater treatment plants.

    PubMed

    Mrowiec, Bozena

    2014-01-01

    Toluene is a compound that often occurs in municipal wastewater ranging from detectable levels up to 237 μg/L. Before the year 2000, the presence of the aromatic hydrocarbons was assigned only to external sources. The Enhanced Biological Nutrients Removal Processes (EBNRP) work according to many different schemes and technologies. For high-efficiency biological denitrification and dephosphatation processes, the presence of volatile fatty acids (VFAs) in sewage is required. VFAs are the main product of organic matter hydrolysis from sewage sludge. However, no attention has been given to other products of the process. It has been found that in parallel to VFA production, toluene formation occurred. The formation of toluene in municipal anaerobic sludge digestion processes was investigated. Experiments were performed on a laboratory scale using sludge from primary and secondary settling tanks of municipal treatment plants. The concentration of toluene in the digested sludge from primary settling tanks was found to be about 42,000 μg/L. The digested sludge supernatant liquor returned to the biological dephosphatation and denitrification processes for sewage enrichment can contain up to 16,500 μg/L of toluene.

  4. Kinetic modeling study of toluene pyrolysis at low pressure

    SciTech Connect

    Zhang, Lidong; Cai, Jianghuai; Zhang, Taichang; Qi, Fei

    2010-09-15

    A detailed kinetic model, consisting of 137 species and 530 reactions, was developed to simulate toluene pyrolysis at low pressure within the temperature range from 1270 to 1870 K. The mole fraction profiles predicted for pyrolysis species up to phenanthrene were in good agreement with the experiment. The decomposition pathways of toluene and the growth pathways to polycyclic aromatic hydrocarbons (PAHs) were discussed from reaction flux analysis. Toluene decomposes through the reaction sequence C{sub 6}H{sub 5}CH{sub 3}{yields} C{sub 6}H{sub 5}CH{sub 2}{yields}C{sub 7}H{sub 6}{yields}c-C{sub 5}H{sub 5}{yields}C{sub 3}H{sub 3}, which also has a predominant contribution to the production of acetylene. Furthermore, sensitivity analysis showed that the primary decomposition reactions of toluene, C{sub 6}H{sub 5}CH{sub 3}=C{sub 6}H{sub 5}CH{sub 2}+H and C{sub 6}H{sub 5}CH{sub 3}=C{sub 6}H{sub 5}+CH{sub 3}, have great influences on the formation of small molecules, such as phenyl radical, benzyl radical, C2- and C3-species, which are critical to the formation of PAHs in the pyrolysis of toluene. (author)

  5. Personal reflections on 50 years of study of benzene toxicology.

    PubMed Central

    Parke, D V

    1996-01-01

    The metabolism of benzene is reviewed, and the objectives of a quantitative balance study begun in 1945 are outlined; problems of toxicology and metabolism research of some 50 years ago are considered. The quantitative metabolism of 14C-benzene in the rabbit is annotated and compared with that of unlabeled benzene quantified by nonisotopic methods. The anomalies of phenylmercapturic acid and trans-trans-muconic acid as metabolites of benzene are examined in detail by isotopic and nonisotopic methods; these compounds are true but minor metabolites of benzene. Oxygen radicals are involved in both the metabolism of benzene and its toxicity; the roles of CYP2E1, the redox cycling of quinone metabolites, glutathione oxidation, and oxidative stress in the unique radiomimetic, hematopoietic toxicity of benzene are discussed. Differences between the toxicity of benzene and the halobenzenes are related to fundamental differences in their electronic structures and to the consequent pathways of metabolic activation and detoxication. PMID:9118881

  6. Peer Review Comments on the IRIS Assessment of Benzene

    EPA Pesticide Factsheets

    Attachment to IRIS file for benzene, January 19, 2000, RESPONSE TO THE PEER REVIEW COMMENTS, II. Extrapolation of the Benzene Inhalation Unit Risk Estimate to the Oral Route of Exposure (EPA/NCEA-W-0517, July 1999)

  7. Insights into Acetone Photochemistry on Rutile TiO2(110). 1. Off-Normal CH3 Ejection from Acetone Diolate.

    SciTech Connect

    Petrik, Nikolay G.; Henderson, Michael A.; Kimmel, Gregory A.

    2015-06-04

    Thermal- and photon-stimulated reactions of acetone co-adsorbed with oxygen on rutile TiO2(110) surface are studied with infrared reflection-adsorption spectroscopy (IRAS) combined with temperature programmed desorption and angle-resolved photon stimulated desorption. IRAS results show that n2-acetone diolate ((CH3)2COO) is produced via thermally-activated reactions between the chemisorbed oxygen with co-adsorbed acetone. Formation of acetone diolate is also consistent with 18O / 16O isotopic exchange experiments. During UV irradiation at 30 K, CH3 radicals are ejected from the acetone diolate with a distribution that is peaked at .-. +- 66 degrees from the surface normal along the azimuth (i.e. perpendicular to the rows of bridging oxygen and Ti5c ions). This distribution is also consistent with the orientation of the C–CH3 bonds in the n2-acetone diolate on TiO2(110). The acetone diolate peaks disappear from the IRAS spectra after UV irradiation and new peaks are observed and associated with n2-acetate. The data presented here demonstrate direct signatures of the proposed earlier 2-step mechanism for acetone photooxidation on TiO2(110)

  8. Enhancing acetone biosynthesis and acetone-butanol-ethanol fermentation performance by co-culturing Clostridium acetobutylicum/Saccharomyces cerevisiae integrated with exogenous acetate addition.

    PubMed

    Luo, Hongzhen; Ge, Laibing; Zhang, Jingshu; Ding, Jian; Chen, Rui; Shi, Zhongping

    2016-01-01

    Acetone is the major by-product in ABE fermentations, most researches focused on increasing butanol/acetone ratio by decreasing acetone biosynthesis. However, economics of ABE fermentation industry strongly relies on evaluating acetone as a valuable platform chemical. Therefore, a novel ABE fermentation strategy focusing on bio-acetone production by co-culturing Clostridium acetobutylicum/Saccharomyces cerevisiae with exogenous acetate addition was proposed. Experimental and theoretical analysis revealed the strategy could, enhance C. acetobutylicum survival oriented amino acids assimilation in the cells; control NADH regeneration rate at moderately lower level to enhance acetone synthesis but without sacrificing butanol production; enhance the utilization ability of C. acetobutylicum on glucose and direct most of extra consumed glucose into acetone/butanol synthesis routes. By implementing the strategy using synthetic or acetate fermentative supernatant, acetone concentrations increased to 8.27-8.55g/L from 5.86g/L of the control, while butanol concentrations also elevated to the higher levels of 13.91-14.23g/L from 11.63g/L simultaneously.

  9. On the mechanism of the dehydroaromatization of hexane to benzene by an iridium pincer catalyst.

    PubMed

    Thawani, Akanksha; Rajeev, Ramanan; Sunoj, Raghavan B

    2013-03-18

    The developments in the area of transition-metal pincer complexes have opened up new avenues for conversion of saturated hydrocarbons to more useful aromatic compounds under homogeneous reaction conditions. In the backdrop of an interesting series of conversions of unbranched alkanes to benzene, toluene, and xylene (known as the BTX family aromatics) reported by Goldman and co-workers (Nature Chem. 2011, 3, 167), we herein present a comprehensive mechanistic picture obtained by using density functional computations. The reaction involves an iridium-PCP-pincer-catalyzed dehydroaromatization of hexane to benzene (in which PCP=η(3) -C6 H3 (iPrP)2 -1,3) by using tert-butylethylene (TBE) as a sacrificial acceptor. The most energetically preferred pathway for a sequence of dehydrogenations is identified to begin with a terminal CH bond activation of n-hexane leading to the formation of hex-1-ene. Although the initial dehydrogenation of n-hexane was found to be endergonic, the accompanying exoergic hydrogenation of TBE to tert-butylethane (TBA) compensates the energetics to keep the catalytic cycle efficient. Subsequent dehydrogenations provide a hexa-1,3-diene and then a hexa-1,3,5-triene. The pincer bound triene is identified to undergo cyclization to furnish cyclohexadiene. Eventually, dehydrogenation of cyclohexa-1,3-diene offers benzene. In the most preferred pathway, the Gibbs free energy barrier for cyclization leading to the formation of cyclohexa-1,3-diene is found to exhibit the highest barrier (21.7 kcal mol(-1) ).

  10. Benzene derivatives produced by Fusarium graminearum - Short communication.

    PubMed

    Ntushelo, Khayalethu; Setshedi, Itumeleng

    2015-06-01

    Using NMR spectroscopy benzene derivatives were detected in mycelia of Fusarium graminearum, a pathogen of wheat and maize. In previous studies F. graminearum was found to cause cancer to humans and benzene derivatives were detected in breath of cancer sufferers. Surprisingly, no study found benzene derivatives to be the cancerous agents in F. graminearum. In this study we detected benzene derivatives in F. graminearum and propose to study their role as cancer agents.

  11. Calorimetric Measurements at Low Temperatures in Toluene Glass and Crystal

    NASA Astrophysics Data System (ADS)

    Alvarez-Ney, C.; Labarga, J.; Moratalla, M.; Castilla, J. M.; Ramos, M. A.

    2017-04-01

    The specific heat of toluene in glass and crystal states has been measured both at low temperatures down to 1.8 K (using the thermal relaxation method) and in a wide temperature range up to the liquid state (using a quasiadiabatic continuous method). Our measurements therefore extend earlier published data to much lower temperatures, thereby allowing to explore the low-temperature "glassy anomalies" in the case of toluene. Surprisingly, no indication of the existence of tunneling states is found, at least within the temperature range studied. At moderate temperatures, our data either for the glass or for the crystal show good agreement with those found in the literature. Also, we have been able to prepare bulk samples of toluene glass by only doping with 2% mol ethanol instead of with higher impurity doses used by other authors.

  12. Toluene optical fibre sensor based on air microcavity in PDMS

    NASA Astrophysics Data System (ADS)

    Kacik, Daniel; Martincek, Ivan

    2017-03-01

    We prepared and demonstrated a compact, simple-to-fabricate, air microcavity in polydimethylsiloxane (PDMS) placed at the end of a single-mode optical fibre. This microcavity creates a Fabry-Perot interferometer sensor able to measure concentrations of toluene vapour in air. Operation of the sensor is provided by diffusion of the toluene vapour to the PDMS, and the consequent extension of length d of the air microcavity in PDMS. The sensor response for the presence of vapours is fast and occurs within a few seconds. By using the prepared sensor toluene vapour concentration in air can be measured in the range from about 0.833 g.m-3 to saturation, with better sensitivity than 0.15 nm/g.m-3 up to maximal sensitivity 1.4 nm/g.m-3 at around concentration 100 g.m-3 in time 5 s.

  13. Toluene-4-monooxygenase, a three-component enzyme system that catalyzes the oxidation of toluene to p-cresol in Pseudomonas mendocina KR1.

    PubMed Central

    Whited, G M; Gibson, D T

    1991-01-01

    Pseudomonas mendocina KR1 grows on toluene as a sole carbon and energy source. A multicomponent oxygenase was partially purified from toluene-grown cells and separated into three protein components. The reconstituted enzyme system, in the presence of NADH and Fe2+, oxidized toluene to p-cresol as the first detectable product. Experiments with p-deutero-toluene led to the isolation of p-cresol which retained 68% of the deuterium initially present in the parent molecule. When the reconstituted enzyme system was incubated with toluene in the presence of 18O2, the oxygen in p-cresol was shown to be derived from molecular oxygen. The results demonstrate that P. mendocina KR1 initiates degradation of toluene by a multicomponent enzyme system which has been designated toluene-4-monooxygenase. PMID:2019563

  14. Benzene stripping in a flotation unit

    SciTech Connect

    Hillquist, D.; Litchfield, J.; Willet, S.; Whiteford, R.

    1994-12-31

    An induced gas flotation unit is used as a combination stripping/flotation vessel with fuel gas as the stripping/flotation medium. The gas bubbles simultaneously float the oils and solids, and strip out and recover the benzene and other volatile components from wastewater and from the floated oils and solids. The effluent stripping gas is then either used as fuel gas, or recycled to the process for product recovery. The induced gas flotation stripper, IGFS, is self-cleaning and normally experiences no sludge build up or fouling. The unit requires a minimum of operator attention and maintenance. It is sealed to eliminate emissions, has a high stripping efficiency, and has a significantly wider operating range than conventional strippers. The unit does not experience the biological fouling and disposal problems of air strippers, or the fouling and higher capital and operating costs of steam strippers. The IGFS unit was installed at the BF Goodrich ethylene plant in Calvert City in 1991. The unit was designed to treat a combined stream consisting of quench water, neutralized spent caustic, and a number of intermittent smaller oily water streams. The unit is operating effectively in stripping the benzene to levels below the NESHAP requirements. The average benzene removal efficiency is above 97%. Operating data indicate that the benzene removal efficiency can be further enhanced by increasing temperature, increasing stripping flow, reducing oil emulsions in the influent and eliminating dilution from recycled water. This paper presents performance and operating experience of the IGFS unit.

  15. 46 CFR 153.1060 - Benzene.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Benzene. 153.1060 Section 153.1060 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Operations Special Cargo Procedures § 153.1060...

  16. Formation of Benzene in the Interstellar Medium

    NASA Technical Reports Server (NTRS)

    Jones, Brant M.; Zhang, Fangtong; Kaiser, Ralf I.; Jamal, Adeel; Mebel, Alexander M.; Cordiner, Martin A.; Charnley, Steven B.; Crim, F. Fleming (Editor)

    2010-01-01

    Polycyclic aromatic hydrocarbons and related species have been suggested to play a key role in the astrochemical evolution of the interstellar medium, but the formation mechanism of even their simplest building block-the aromatic benzene molecule-has remained elusive for decades. Here we demonstrate in crossed molecular beam experiments combined with electronic structure and statistical calculations that benzene (C6H6) can be synthesized via the barrierless, exoergic reaction of the ethynyl radical and 1,3- butadiene, C2H + H2CCHCHCH2 --> C6H6, + H, under single collision conditions. This reaction portrays the simplest representative of a reaction class in which aromatic molecules with a benzene core can be formed from acyclic precursors via barrierless reactions of ethynyl radicals with substituted 1,3-butadlene molecules. Unique gas-grain astrochemical models imply that this low-temperature route controls the synthesis of the very first aromatic ring from acyclic precursors in cold molecular clouds, such as in the Taurus Molecular Cloud. Rapid, subsequent barrierless reactions of benzene with ethynyl radicals can lead to naphthalene-like structures thus effectively propagating the ethynyl-radical mediated formation of aromatic molecules in the interstellar medium.

  17. 46 CFR 153.1060 - Benzene.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Benzene. 153.1060 Section 153.1060 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Operations Special Cargo Procedures § 153.1060...

  18. 46 CFR 153.1060 - Benzene.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Benzene. 153.1060 Section 153.1060 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Operations Special Cargo Procedures § 153.1060...

  19. 46 CFR 153.1060 - Benzene.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Benzene. 153.1060 Section 153.1060 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Operations Special Cargo Procedures § 153.1060...

  20. 46 CFR 153.1060 - Benzene.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Benzene. 153.1060 Section 153.1060 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS Operations Special Cargo Procedures § 153.1060...

  1. Quinones as toxic metabolites of benzene

    SciTech Connect

    Irons, R.D.

    1985-01-01

    Occupational exposure to benzene has long been associated with toxicity to the blood and bone marrow, including lymphocytopenia, pancytopenia, aplastic anemia, acute myelogenous leukemia, and possible lymphoma. A variety of studies have established that benzene itself is not the toxic species but requires metabolism to reactive intermediates. The bioactivation of benzene is complex. Both primary and secondary oxidation of benzene and its metabolites are mediated via cytochrome P-450 in the liver, although the role of secondary metabolism in the bone marrow is not clear. Toxicity is associated with the dihydroxy metabolites, hydroquinone and catechol, which concentrate in bone marrow. Hydroquinone and its terminal oxidation product, p-benzoquinone, have been demonstrated to be potent suppressors of cell growth in culture. Suppression of lymphocyte blastogenesis by these compounds is a sulfhydryl-dependent process and occurs at concentrations that do not result in cell death, or in detectable alterations in energy metabolism, intracellular glutathione concentration, or protein synthesis. Recent studies suggest that these compounds and other membrane-penetrating sulfyhdryl alkylating agents, such as N-ethylmaleimide and cytochalasin A, and endogenous regulatory molecules, such as soluble immune response suppressor (SIRS), interfere with microtubule assembly in vitro and selectively interfere with microtubule-dependent cell functions at identical concentrations. These agents appear to react with nucleophilic sulfhydryl groups essential for guanosine triphosphate binding to tubulin that are particularly sensitive to sulfhydryl-alkylating agents.

  2. Formation of benzene in the interstellar medium

    PubMed Central

    Jones, Brant M.; Zhang, Fangtong; Kaiser, Ralf I.; Jamal, Adeel; Mebel, Alexander M.; Cordiner, Martin A.; Charnley, Steven B.

    2011-01-01

    Polycyclic aromatic hydrocarbons and related species have been suggested to play a key role in the astrochemical evolution of the interstellar medium, but the formation mechanism of even their simplest building block—the aromatic benzene molecule—has remained elusive for decades. Here we demonstrate in crossed molecular beam experiments combined with electronic structure and statistical calculations that benzene (C6H6) can be synthesized via the barrierless, exoergic reaction of the ethynyl radical and 1,3-butadiene, C2H + H2CCHCHCH2 → C6H6 + H, under single collision conditions. This reaction portrays the simplest representative of a reaction class in which aromatic molecules with a benzene core can be formed from acyclic precursors via barrierless reactions of ethynyl radicals with substituted 1,3-butadiene molecules. Unique gas-grain astrochemical models imply that this low-temperature route controls the synthesis of the very first aromatic ring from acyclic precursors in cold molecular clouds, such as in the Taurus Molecular Cloud. Rapid, subsequent barrierless reactions of benzene with ethynyl radicals can lead to naphthalene-like structures thus effectively propagating the ethynyl-radical mediated formation of aromatic molecules in the interstellar medium. PMID:21187430

  3. Contrastive analysis of the Raman spectra of polychlorinated benzene: hexachlorobenzene and benzene.

    PubMed

    Zhang, Xian; Zhou, Qin; Huang, Yu; Li, Zhengcao; Zhang, Zhengjun

    2011-01-01

    Detection of persistent pollutants such as polychlorinated benzene in environment in trace amounts is challenging, but important. It is more difficult to distinguish homologues and isomers of organic pollutantd when present in trace amounts because of their similar physical and chemical properties. In this work we simulate the Raman spectra of hexachlorobenzene and benzene, and figure out the vibration mode of each main peak. The effect on the Raman spectrum of changing substituents from H to Cl is analyzed to reveal the relations between the Raman spectra of homologues and isomers of polychlorinated benzene, which should be helpful for distinguishing one kind of polychlorinated benzene from its homologues and isomers by surface enhanced Raman scattering.

  4. Benzyl alcohol as a marker of occupational exposure to toluene.

    PubMed

    Kawai, Toshio; Yamauchi, Tsuneyuki; Miyama, Yuriko; Sakurai, Haruhiko; Ukai, Hirohiko; Takada, Shiro; Ohashi, Fumiko; Ikeda, Masayuki

    2007-01-01

    Benzyl alcohol (BeOH) is a urinary metabolite of toluene, which has been seldom evaluated for biological monitoring of exposure to this popular solvent. The present study was initiated to develop a practical method for determination of BeOH in urine and to examine if this metabolite can be applied as a marker of occupational exposure to toluene. A practical gas-liquid chromatographic method was successfully developed in the present study with sensitivity low enough for the application (the limit of detection; 5 microg BeOH /l urine with CV=2.7%). Linearity was confirmed up to 10 mg BeOH/l, the highest concentration tested, and the reproducibility was also satisfactory with a coefficient of variation of 2.7% (n=10). A tentative application of the method in a small scale study with 45 male workers [exposed to toluene up to 130 ppm as an 8-h time-weighted average (8-h TWA)] showed that BeOH in the end-of-shift urine samples was proportional to the intensity of exposure to toluene. The calculated regression equation was Y=50+1.7X (r=0.80, p<0.01), where X was toluene in air (in ppm as 8-h TWA) and Y was BeOH in urine (in microg/l of end-of-shift urine). The levels of BeOH in the urine of the non-exposed was about 50 microg/l, and ingestion of benzoate as a preservative in soft drinks did not affect the BeOH level in urine. The findings as a whole suggest that BeOH is a promising candidate for biological monitoring of occupational exposure to toluene.

  5. 40 CFR 721.1350 - Benzene, (1-methylethyl)(2-phenylethyl)-.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Benzene, (1-methylethyl)(2-phenylethyl... Substances § 721.1350 Benzene, (1-methylethyl)(2-phenylethyl)-. (a) Chemical substances and significant new uses subject to reporting. (1) The chemical substance identified as benzene,...

  6. 40 CFR 721.1187 - Bis(imidoethylene) benzene.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Bis(imidoethylene) benzene. 721.1187... Substances § 721.1187 Bis(imidoethylene) benzene. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance bis(imidoethylene)benzene (PMN P-93-1447) is subject to...

  7. 40 CFR 721.1350 - Benzene, (1-methylethyl)(2-phenylethyl)-.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Benzene, (1-methylethyl)(2-phenylethyl... Substances § 721.1350 Benzene, (1-methylethyl)(2-phenylethyl)-. (a) Chemical substances and significant new uses subject to reporting. (1) The chemical substance identified as benzene,...

  8. 40 CFR 721.1350 - Benzene, (1-methylethyl)(2-phenylethyl)-.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Benzene, (1-methylethyl)(2-phenylethyl... Substances § 721.1350 Benzene, (1-methylethyl)(2-phenylethyl)-. (a) Chemical substances and significant new uses subject to reporting. (1) The chemical substance identified as benzene,...

  9. 40 CFR 721.1187 - Bis(imidoethylene) benzene.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Bis(imidoethylene) benzene. 721.1187... Substances § 721.1187 Bis(imidoethylene) benzene. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance bis(imidoethylene)benzene (PMN P-93-1447) is subject to...

  10. 40 CFR 721.1210 - Benzene, (2-chloroethoxy)-.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Benzene, (2-chloroethoxy)-. 721.1210... Substances § 721.1210 Benzene, (2-chloroethoxy)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene, (2-chloroethoxy)- (PMN P-87-1471) is subject...

  11. 40 CFR 721.1187 - Bis(imidoethylene) benzene.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Bis(imidoethylene) benzene. 721.1187... Substances § 721.1187 Bis(imidoethylene) benzene. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance bis(imidoethylene)benzene (PMN P-93-1447) is subject to...

  12. 40 CFR 721.1210 - Benzene, (2-chloroethoxy)-.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Benzene, (2-chloroethoxy)-. 721.1210... Substances § 721.1210 Benzene, (2-chloroethoxy)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene, (2-chloroethoxy)- (PMN P-87-1471) is subject...

  13. 40 CFR 721.1350 - Benzene, (1-methylethyl)(2-phenylethyl)-.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Benzene, (1-methylethyl)(2-phenylethyl... Substances § 721.1350 Benzene, (1-methylethyl)(2-phenylethyl)-. (a) Chemical substances and significant new uses subject to reporting. (1) The chemical substance identified as benzene,...

  14. 40 CFR 721.1187 - Bis(imidoethylene) benzene.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Bis(imidoethylene) benzene. 721.1187... Substances § 721.1187 Bis(imidoethylene) benzene. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance bis(imidoethylene)benzene (PMN P-93-1447) is subject to...

  15. 40 CFR 721.1210 - Benzene, (2-chloroethoxy)-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, (2-chloroethoxy)-. 721.1210... Substances § 721.1210 Benzene, (2-chloroethoxy)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene, (2-chloroethoxy)- (PMN P-87-1471) is subject...

  16. 40 CFR 721.1350 - Benzene, (1-methylethyl)(2-phenylethyl)-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, (1-methylethyl)(2-phenylethyl... Substances § 721.1350 Benzene, (1-methylethyl)(2-phenylethyl)-. (a) Chemical substances and significant new uses subject to reporting. (1) The chemical substance identified as benzene,...

  17. 40 CFR 721.1210 - Benzene, (2-chloroethoxy)-.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Benzene, (2-chloroethoxy)-. 721.1210... Substances § 721.1210 Benzene, (2-chloroethoxy)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene, (2-chloroethoxy)- (PMN P-87-1471) is subject...

  18. 40 CFR 721.1210 - Benzene, (2-chloroethoxy)-.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Benzene, (2-chloroethoxy)-. 721.1210... Substances § 721.1210 Benzene, (2-chloroethoxy)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene, (2-chloroethoxy)- (PMN P-87-1471) is subject...

  19. 40 CFR 721.1187 - Bis(imidoethylene) benzene.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Bis(imidoethylene) benzene. 721.1187... Substances § 721.1187 Bis(imidoethylene) benzene. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance bis(imidoethylene)benzene (PMN P-93-1447) is subject to...

  20. 40 CFR 721.10028 - Disubstituted benzene metal salts (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Disubstituted benzene metal salts... Specific Chemical Substances § 721.10028 Disubstituted benzene metal salts (generic). (a) Chemical... as disubstituted benzene metal salts (PMNs P-01-901 and P-01-902) are subject to reporting under...

  1. 40 CFR 721.10028 - Disubstituted benzene metal salts (generic).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Disubstituted benzene metal salts... Specific Chemical Substances § 721.10028 Disubstituted benzene metal salts (generic). (a) Chemical... as disubstituted benzene metal salts (PMNs P-01-901 and P-01-902) are subject to reporting under...

  2. 40 CFR 721.10028 - Disubstituted benzene metal salts (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Disubstituted benzene metal salts... Specific Chemical Substances § 721.10028 Disubstituted benzene metal salts (generic). (a) Chemical... as disubstituted benzene metal salts (PMNs P-01-901 and P-01-902) are subject to reporting under...

  3. 40 CFR 721.10028 - Disubstituted benzene metal salts (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Disubstituted benzene metal salts... Specific Chemical Substances § 721.10028 Disubstituted benzene metal salts (generic). (a) Chemical... as disubstituted benzene metal salts (PMNs P-01-901 and P-01-902) are subject to reporting under...

  4. 40 CFR 721.10028 - Disubstituted benzene metal salts (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Disubstituted benzene metal salts... Specific Chemical Substances § 721.10028 Disubstituted benzene metal salts (generic). (a) Chemical... as disubstituted benzene metal salts (PMNs P-01-901 and P-01-902) are subject to reporting under...

  5. A sensitivity analysis of key natural factors in the modeled global acetone budget

    NASA Astrophysics Data System (ADS)

    Brewer, J. F.; Bishop, M.; Kelp, M.; Keller, C. A.; Ravishankara, A. R.; Fischer, E. V.

    2017-02-01

    Acetone is one of the most abundant carbonyl compounds in the atmosphere, and it serves as an important source of HOx (OH + HO2) radicals in the upper troposphere and a precursor for peroxyacetyl nitrate. We present a global sensitivity analysis targeted at several major natural source and sink terms in the global acetone budget to find the input factor or factors to which the simulated acetone mixing ratio was most sensitive. The ranges of input factors were taken from literature. We calculated the influence of these factors in terms of their elementary effects on model output. Of the six factors tested here, the four factors with the highest contribution to total global annual model sensitivity are direct emissions of acetone from the terrestrial biosphere, acetone loss to photolysis, the concentration of acetone in the ocean mixed layer, and the dry deposition of acetone to ice-free land. The direct emissions of acetone from the terrestrial biosphere are globally important in determining acetone mixing ratios, but their importance varies seasonally outside the tropics. Photolysis is most influential in the upper troposphere. Additionally, the influence of the oceanic mixed layer concentrations are relatively invariant between seasons, compared to the other factors tested. Monoterpene oxidation in the troposphere, despite the significant uncertainties in acetone yield in this process, is responsible for only a small amount of model uncertainty in the budget analysis.

  6. Molybdenum disulfide catalyzed tungsten oxide for on-chip acetone sensing

    NASA Astrophysics Data System (ADS)

    Li, Hong; Ahn, Sung Hoon; Park, Sangwook; Cai, Lili; Zhao, Jiheng; He, Jiajun; Zhou, Minjie; Park, Joonsuk; Zheng, Xiaolin

    2016-09-01

    Acetone sensing is critical for acetone leak detection and holds a great promise for the noninvasive diagnosis of diabetes. It is thus highly desirable to develop a wearable acetone sensor that has low cost, miniature size, sub-ppm detection limit, great selectivity, as well as low operating temperature. In this work, we demonstrate a cost-effective on-chip acetone sensor with excellent sensing performances at 200 °C using molybdenum disulfide (MoS2) catalyzed tungsten oxide (WO3). The WO3 based acetone sensors are first optimized via combined mesoscopic nanostructuring and silicon doping. Under the same testing conditions, our optimized mesoporous silicon doped WO3 [Si:WO3(meso)] sensor shows 2.5 times better sensitivity with ˜1000 times smaller active device area than the state-of-art WO3 based acetone sensor. Next, MoS2 is introduced to catalyze the acetone sensing reactions for Si:WO3(meso), which reduces the operating temperature by 100 °C while retaining its high sensing performances. Our miniaturized acetone sensor may serve as a wearable acetone detector for noninvasive diabetes monitoring or acetone leakage detection. Moreover, our work demonstrates that MoS2 can be a promising nonprecious catalyst for catalytic sensing applications.

  7. Phase transitions of amorphous solid acetone in confined geometry investigated by reflection absorption infrared spectroscopy.

    PubMed

    Shin, Sunghwan; Kang, Hani; Kim, Jun Soo; Kang, Heon

    2014-11-26

    We investigated the phase transformations of amorphous solid acetone under confined geometry by preparing acetone films trapped in amorphous solid water (ASW) or CCl4. Reflection absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) were used to monitor the phase changes of the acetone sample with increasing temperature. An acetone film trapped in ASW shows an abrupt change in the RAIRS features of the acetone vibrational bands during heating from 80 to 100 K, which indicates the transformation of amorphous solid acetone to a molecularly aligned crystalline phase. Further heating of the sample to 140 K produces an isotropic solid phase, and eventually a fluid phase near 157 K, at which the acetone sample is probably trapped in a pressurized, superheated condition inside the ASW matrix. Inside a CCl4 matrix, amorphous solid acetone crystallizes into a different, isotropic structure at ca. 90 K. We propose that the molecularly aligned crystalline phase formed in ASW is created by heterogeneous nucleation at the acetone-water interface, with resultant crystal growth, whereas the isotropic crystalline phase in CCl4 is formed by homogeneous crystal growth starting from the bulk region of the acetone sample.

  8. Effects of toluene exposure on signal transduction: toluene reduced the signaling via stimulation of human muscarinic acetylcholine receptor m2 subtypes in CHO cells.

    PubMed

    Tsuga, Hirofumi; Haga, Tatsuya; Honma, Takeshi

    2002-07-01

    The organic solvent toluene is used widely in industry and is toxic to the central nervous system (CNS). To clarify the mechanisms of CNS toxicity following toluene exposure, especially with respect to the G protein-coupling of receptors, we determined the effects of toluene on the activation of Gi by stimulating human muscarinic acetylcholine receptor m2 subtypes (hm2 receptors) expressed in Chinese hamster ovary (CHO) cells. We first examined whether toluene affects the inhibition of adenylyl cyclase by Gi. The attenuation of forskolin-stimulated cAMP formation by the stimulation of hm2 receptors was reduced in a medium containing toluene. Next, we determined the effects of toluene on carbamylcholine-stimulated [35S]GTPgammaS binding using membrane fractions of CHO cell expressing hm2 receptors. Carbamylcholine-stimulated [35S]GTPgammaS binding activity was markedly reduced when assayed using reaction buffers containing toluene. However, carbamylcholine-stimulated [35S]GTPgammaS binding activity was essentially unchanged following pretreatment of the cells with a toluene-saturated medium prior to membrane isolation. Toluene pretreatment and the toluene itself did not alter the characteristics of the binding of carbamylcholine and [3H]N-methylscopolamine to hm2 receptors. On the contrary of the effect of toluene for [35S]GTPgammaS binding, the effect of toluene for attenuation of forskolin-stimulated cAMP formation by the stimulation of hm2 receptors was irreversible. These observations indicate that toluene acts as an inhibitor of the signal transduction via hm2 receptor stimulation in CHO cells, and at least two mechanisms exist in the inhibition mechanisms by toluene.

  9. Acetone PLIF concentration measurements in a submerged round turbulent jet

    NASA Astrophysics Data System (ADS)

    Kravtsov, Z. D.; Chikishev, L. M.; Dulin, V. M.

    2016-10-01

    Transport of passive scalar in near-field of a submerged turbulent jet, was studied experimentally by using the planar laser-induced fluorescence technique. The jet issued from a round pipe with the inner diameter and length of 21 mm and 700 mm, respectively. Three cases of Reynolds numbers were studied: Re=3000, 6000, and 9000. Vapor of acetone, mixed to the jet flow, served as a passive fluorescent tracer. The paper describes data processing utilized to convert intensity of fluorescence images to the instantaneous concentration.

  10. Synthesis and Photochromic Studies of Dithienylethene-Containing Cyclometalated Alkynylplatinum(II) 1,3-Bis(N-alkylbenzimidazol-2'-yl)benzene Complexes.

    PubMed

    Chan, Michael Ho-Yeung; Wong, Hok-Lai; Yam, Vivian Wing-Wah

    2016-06-06

    Several photochromic cyclometalated alkynylplatinum(II) complexes with tridentate 1,3-bis(N-alkylbenzimidazol-2'-yl)benzene (bzimb) ligands have been synthesized by the reaction of the corresponding chloroplatinum(II) bzimb precursor complexes with the photochromic ligand TMS-C≡C-Th-DTE in the presence of sodium hydroxide. They have been characterized by (1)H NMR spectroscopy and positive-ion FAB or ESI mass spectrometry and confirmed by elemental analysis. One of the complexes has also been characterized by X-ray crystallography. Their photophysical, photochromic, and electrochemical properties have been studied. Upon photoexcitation, the yellow solutions in benzene display green phosphorescence originating from the triplet intraligand ((3)IL) excited state. All the cyclometalated alkynylplatinum(II) bzimb complexes exhibit reversible photochromism with solution colors changing between yellow and purple upon photoirradiation. The thermal bleaching kinetics of complex 2 has been studied in toluene at various temperatures with the activation barrier for the thermal cycloreversion reaction determined.

  11. Fate of acetone in an outdoor model stream in southern Mississippi, U.S.A.

    USGS Publications Warehouse

    Rathbun, R.E.; Stephens, D.W.; Shultz, D.J.; Tai, D.Y.

    1988-01-01

    The fate of acetone in water was investigated in an outdoor model stream located in southern Mississippi, U.S.A. Acetone was injected continuously for 32 days resulting in small milligram-perliter concentrations in the stream. Rhodamine-WT dye was injected at the beginning and at the end of the study to determine the time-of-travel and dispersion characteristics of the stream. A 12-h injection of t-butyl alcohol (TBA) was used to determine the volatilization characteristics of the stream. Volatilization controlled the acetone concentration in the stream. Significant bacterial degradation of acetone did not occur, contrary to expectations based on previous laboratory studies. Attempts to induce degradation of the acetone by injecting glucose and a nutrient solution containing bacteria acclimated to acetone were unsuccessful. Possible explanations for the lack of bacterial degradation included a nitrate limitation and a limited residence time in the stream system. ?? 1988.

  12. 54 FR 38044: National Emission Standards for Hazardous Air Pollutants; Benzene Emissions From Maleic Anhydride Plants, Ethylbenzene/Styrene Plants, Benzene Storage Vessels, Benzene Equipment Leaks, and Coke By- Product Recovery Plants

    EPA Pesticide Factsheets

    Final Rule on National Emission Standards for Hazardous Air Pollutants; Benzene Emissions From Maleic Anhydride Plants, Ethylbenzene/Styrene Plants, Benzene Storage Vessels, Benzene Equipment Leaks, and Coke By-Product Recovery Plants.

  13. MICROBIAL DEGRADATION OF TOLUENE UNDER SULFATE- REDUCING CONDITIONS AND THE INFLUENCE OF IRON ON THE PROCESS

    EPA Science Inventory

    Toluene degradation occurred concomitantly with sulfate reduction in anaerobic microcosms inoculated with contaminated subsurface soil from an aviation fuel storage facility near the Patuxent River (Md.). Similar results were obtained for enrichment cultures in which toluene was ...

  14. FORMATION OF POLYKETONES IN IRRADIATED TOLUENE/PROPYLENE/NOX/AIR MIXTURES

    EPA Science Inventory

    A laboratory study was carried out to investigate the formation of polyketones in secondary organic aerosol from photooxidation of the aromatic hydrocarbon toluene, a major constituent of automobile exhaust. The laboratory experiments consisted of irradiating toluene/propylene...

  15. The Effect of Fluorocarbon Surfactant Additives on the Effective Viscosity of Acetone Solutions of Cellulose Diacetate,

    DTIC Science & Technology

    2014-09-26

    34 FOREIGN TECHNOLOGY DIVISION i00 Lfl .. THE EFFECT OF FLUOROCARBON SURFACTANT ADDITIVES ON THE EFFECTIVE VISCOSITY OF ACETONE SOLUTIONS OF CELLULOSE...ADDITIVES ON TH~ .. t- ’_ ition EFFECTIVE VISCOSITY OF ACETONE SOLUTIONS OF CELLULOSE DIACETATE D~rbt~l By: L.A. Shits, N. Yu. Kal’nova Codesuton English...VISCOSITY OF ACETONE SOLUTIONS OF CELLULOSE DIACETATE L. A. Shits, N. Yu. Kal’nova (Institute of Physical Chemistry of the AS USSR, Moscow) ! - The

  16. PHOSPHOLIPIDS OF FIVE PSEUDOMONAD ARCHETYPES FOR DIFFERENT TOLUENE DEGRADATION PATHWAYS

    EPA Science Inventory

    Liquid chromatography/electrospray ionization/mass spectrometry (LC/ESI/MS) was used to determine phospholipid profiles for five reference pseudomonad strains harboring distinct toluene catabolic pathways: Pseudomonas putida mt-2, Pseudomonas putida F1, Burkholderia cepacia G4, B...

  17. 21 CFR 520.580 - Dichlorophene and toluene capsules.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Dichlorophene and toluene capsules. 520.580 Section 520.580 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS ORAL DOSAGE FORM NEW ANIMAL DRUGS §...

  18. 2,4-/2,6-Toluene diisocyanate mixture (TDI)

    Integrated Risk Information System (IRIS)

    2,4 - / 2,6 - Toluene diisocyanate mixture ( TDI ) ; CASRN 26471 - 62 - 5 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Haz

  19. HYPERTENSIVE AND TACHYCARDIC RESPONSES TO ORAL TOLUENE IN THE RAT.

    EPA Science Inventory

    Little is known regarding the effects of toluene and other volatile organic compounds on autonomic processes. Such studies should be performed in unrestrained and undisturbed animals to avoid the effects of handling stress on processes regulated by the autonomic nervous system. T...

  20. Detection of alkylperoxo and ferryl, (Fe sup IV = O) sup 2+ , intermediates during the reaction of tert-butyl hydroperoxide with iron porphyrins in toluene solution

    SciTech Connect

    Arasasingham, R.D.; Cornman, C.R.; Balch, A.L. )

    1989-11-27

    PFe{sup II} and PFe{sup III}OH (P is a porphyrin dianion) catalyze the decomposition of tert-butyl hydroperoxide in toluene solution without appreciable attack on the porphyrin ligand. {sup 1}H NMR spectroscopic studies at low temperature ({minus}70{degree}C) give evidence for the formation of a high-spin, five-coordinate intermediate, PFe{sup III}OOC(CH{sub 3}){sub 3}. Organic products formed from this reaction are tert-butyl alcohol, di-tert-butyl peroxide, benzaldehyde, acetone, and benzyl-tert-butyl peroxide, which arise largely from a radical chain process initiated by the iron porphyrin but continuing without its intervention.

  1. Application of LaserBreath-001 for breath acetone measurement in subjects with diabetes mellitus

    NASA Astrophysics Data System (ADS)

    Wang, Zhennan; Sun, Meixiu; Chen, Zhuying; Zhao, Xiaomeng; Li, Yingxin; Wang, Chuji

    2016-11-01

    Breath acetone is a promising biomarker of diabetes mellitus. With an integrated standalone, on-site cavity ringdown breath acetone analyzer, LaserBreath-001, we tested breath samples from 23 type 1 diabetic (T1D) patients, 312 type 2 diabetic (T2D) patients, 52 healthy subjects. In the cross-sectional studies, the obtained breath acetone concentrations were higher in the diabetic subjects compared with those in the control group. No correlation between breath acetone and simultaneous BG was observed in the T1D, T2D, and healthy subjects. A moderate positive correlation between the mean individual breath acetone concentrations and the mean individual BG levels was observed in the 20 T1D patients without ketoacidosis. In a longitudinal study, the breath acetone concentrations in a T1D patient with ketoacidosis decreased significantly and remained stable during the 5-day hospitalization. The results from a relatively large number of subjects tested indicate that an elevated mean breath acetone concentration exists in diabetic patients in general. Although many physiological parameters affect breath acetone concentrations, fast (<1 min) and on site breath acetone measurement can be used for diabetic screening and management under a specifically controlled condition.

  2. Fluorometric biosniffer (biochemical gas sensor) for breath acetone as a volatile indicator of lipid metabolism

    NASA Astrophysics Data System (ADS)

    Mitsubayashi, Kohji; Chien, Po-Jen; Ye, Ming; Suzuki, Takuma; Toma, Koji; Arakawa, Takahiro

    2016-11-01

    A fluorometric acetone biosniffer (biochemical gas sensor) for assessment of lipid metabolism utilizing reverse reaction of secondary alcohol dehydrogenase was constructed and evaluated. The biosniffer showed highly sensitivity and selectivity for continuous monitoring of gaseous acetone. The measurement of breath acetone concentration during fasting and aerobic exercise were also investigated. The acetone biosniffer provides a novel analytical tool for noninvasive evaluation of human lipid metabolism and it is also expected to use for the clinical and physiological applications such as monitoring the progression of diabetes.

  3. Audition and exhibition to toluene - a contribution for the theme

    PubMed Central

    Augusto, Lívia Sanches Calvi; Kulay, Luiz Alexandre; Franco, Eloisa Sartori

    2012-01-01

    Summary Introduction: With the technological advances and the changes in the productive processes, the workers are displayed the different physical and chemical agents in its labor environment. The toluene is solvent an organic gift in glues, inks, oils, amongst others. Objective: To compare solvent the literary findings that evidence that diligent displayed simultaneously the noise and they have greater probability to develop an auditory loss of peripheral origin. Method: Revision of literature regarding the occupational auditory loss in displayed workers the noise and toluene. Results: The isolated exposition to the toluene also can unchain an alteration of the auditory thresholds. These audiometric findings, for ototoxicity the exposition to the toluene, present similar audiograms to the one for exposition to the noise, what it becomes difficult to differentiate a audiometric result of agreed exposition - noise and toluene - and exposition only to the noise. Conclusion: The majority of the studies was projected to generate hypotheses and would have to be considered as preliminary steps of an additional research. Until today the agents in the environment of work and its effect they have been studied in isolated way and the limits of tolerance of these, do not consider the agreed expositions. Considering that the workers are displayed the multiples agent and that the auditory loss is irreversible, the implemented tests must be more complete and all the workers must be part of the program of auditory prevention exactly displayed the low doses of the recommended limit of exposition. PMID:25991943

  4. Simultaneous biodegradation of chlorobenzene and toluene by a Pseudomonas strain

    SciTech Connect

    Pettigrew, C.A.; Haigler, B.E.; Spain, J.C. )

    1991-01-01

    Pseudomonas sp. strain JS6 grows on a wide range of chloro- and methylaromatic substrates. The simultaneous degradation of these compounds is prevented in most previously studied isolates because the catabolic pathways are incompatible. The purpose of this study was to determine whether strain JS6 could degrade mixtures of chloro- and methyl-substituted aromatic compounds. Strain JS6 was maintained in a chemostat on a minimal medium with toluene or chlorobenzene as the sole carbon source, supplied via a syringe pump. Strain JS6 contained an active catechol 2,3-dioxygenase when grown in the presence of chloroaromatic compounds; however, in cell extracts, this enzyme was strongly inhibited by 3-chlorocatechol. When cells grown to steady state on toluene were exposed to 50% toluene-50% chlorobenzene, 3-chlorocatechol and 3-methylcatechol accumulated in the medium and the cell density decreased. After 3 h, the enzyme activities of the modified ortho ring fission pathway were induced, the metabolites disappeared, and the cell density returned to previous levels. In cell extracts, 3-methylcatechol was degraded by both catechol 1,2- and catechol 2,3-dioxygenase. Strain JS62, a catechol 2,3-dioxygenase mutant of JS6, grew on toluene, and ring cleavage of 3-methylcatechol was catalyzed by catechol 1,2-dioxygenase. The transient metabolite 2-methyllactone was identified in chlorobenzene-grown JS6 cultures exposed to toluene. These results indicate that strain JS6 can degrade mixtures of chloro- and methylaromatic compounds by means of a modified ortho ring fission pathway.

  5. Kinetic study of trichloroethylene and toluene degradation by a bioluminescent reporter bacterium

    SciTech Connect

    Kelly, C.J.; Sanseverino, J.; Bienkowski, P.R.; Sayler, G.S.

    1995-12-31

    A constructed bioluminescent reporter bacterium, Pseudomonas putida B2, is very briefly described in this paper. The bacterium degrades toluene and trichloroethylene (TCE), and produces light in the presence of toluene. The light response is an indication of cellular viability and expression of the genes encoding toluene and TCE degrading enzymes.

  6. 40 CFR 721.10610 - Toluene diisocyanate, polymers with polyalkylene glycol (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Toluene diisocyanate, polymers with... New Uses for Specific Chemical Substances § 721.10610 Toluene diisocyanate, polymers with polyalkylene... substances identified generically as toluene diisocyanate, polymers with polyalkylene glycol (PMNs...

  7. 40 CFR 721.10610 - Toluene diisocyanate, polymers with polyalkylene glycol (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Toluene diisocyanate, polymers with... New Uses for Specific Chemical Substances § 721.10610 Toluene diisocyanate, polymers with polyalkylene... substances identified generically as toluene diisocyanate, polymers with polyalkylene glycol (PMNs...

  8. Cardiovascular effects of oral toluene exposure in the rat monitored by radiotelemetry

    EPA Science Inventory

    Toluene is a hazardous air pollutant that can be toxic to the nervous and cardiovascular systems. The cardiotoxicity data for toluene come from acute studies in anesthetized animals and from clinical observations made on toluene abusers and there is little known on the response o...

  9. Structural basis of enzymatic benzene ring reduction.

    PubMed

    Weinert, Tobias; Huwiler, Simona G; Kung, Johannes W; Weidenweber, Sina; Hellwig, Petra; Stärk, Hans-Joachim; Biskup, Till; Weber, Stefan; Cotelesage, Julien J H; George, Graham N; Ermler, Ulrich; Boll, Matthias

    2015-08-01

    In chemical synthesis, the widely used Birch reduction of aromatic compounds to cyclic dienes requires alkali metals in ammonia as extremely low-potential electron donors. An analogous reaction is catalyzed by benzoyl-coenzyme A reductases (BCRs) that have a key role in the globally important bacterial degradation of aromatic compounds at anoxic sites. Because of the lack of structural information, the catalytic mechanism of enzymatic benzene ring reduction remained obscure. Here, we present the structural characterization of a dearomatizing BCR containing an unprecedented tungsten cofactor that transfers electrons to the benzene ring in an aprotic cavity. Substrate binding induces proton transfer from the bulk solvent to the active site by expelling a Zn(2+) that is crucial for active site encapsulation. Our results shed light on the structural basis of an electron transfer process at the negative redox potential limit in biology. They open the door for biological or biomimetic alternatives to a basic chemical synthetic tool.

  10. Risk analysis for worker exposure to benzene

    NASA Astrophysics Data System (ADS)

    Hallenbeck, William H.; Flowers, Roxanne E.

    1992-05-01

    Cancer risk factors (characterized by route, dose, dose rate per kilogram, fraction of lifetime exposed, species, and sex) were derived for workers exposed to benzene via inhalation or ingestion. Exposure at the current Occupational Safety and Health Administration (OSHA) permissible exposure limit (PEL) and at leaking underground storage tank (LUST) sites were evaluated. At the current PEL of 1 ppm, the theoretical lifetime excess risk of cancer from benzene inhalation is ten per 1000. The theoretical lifetime excess risk for worker inhalation exposure at LUST sites ranged from 10 to 40 per 1000. These results indicate that personal protection should be required. The theoretical lifetime excess risk due to soil ingestion is five to seven orders of magnitude less than the inhalation risks.

  11. Environmental exposure to benzene: an update.

    PubMed Central

    Wallace, L

    1996-01-01

    During the 1990s, several large-scale studies of benzene concentrations in air, food, and blood have added to our knowledge of its environmental occurrence. In general, the new studies have confirmed the earlier findings of the U.S. Environmental Protection Agency Total Exposure Assessment Methodology (TEAM) studies and other large-scale studies in Germany and the Netherlands concerning the levels of exposure and major sources. For example, the new studies found that personal exposures exceeded indoor concentrations of benzene, which in turn exceeded outdoor concentrations. The new studies of food concentrations have confirmed earlier indications that food is not an important pathway for benzene exposure. The results of the National Health and Nutrition Examination Survey on blood levels in a nationwide sample of 883 persons are in good agreement with the concentrations in exhaled breath measured in about 800 persons a decade earlier in the TEAM studies. Major sources of exposure continue to be active and passive smoking, auto exhaust, and driving or riding in automobiles. New methods in breath and blood sampling and analysis offer opportunities to investigate short-term peak exposures and resulting body burden under almost any conceivable field conditions. PMID:9118882

  12. Expression of Clostridium acetobutylicum ATCC 824 Genes in Escherichia coli for Acetone Production and Acetate Detoxification

    PubMed Central

    Bermejo, Lourdes L.; Welker, Neil E.; Papoutsakis, Eleftherios T.

    1998-01-01

    A synthetic acetone operon (ace4) composed of four Clostridium acetobutylicum ATCC 824 genes (adc, ctfAB, and thl, coding for the acetoacetate decarboxylase, coenzyme A transferase, and thiolase, respectively) under the control of the thl promoter was constructed and was introduced into Escherichia coli on vector pACT. Acetone production demonstrated that ace4 is expressed in E. coli and resulted in the reduction of acetic acid levels in the fermentation broth. Since different E. coli strains vary significantly in their growth characteristics and acetate metabolism, ace4 was expressed in three E. coli strains: ER2275, ATCC 11303, and MC1060. Shake flask cultures of MC1060(pACT) produced ca. 2 mM acetone, while both strains ER2275(pACT) and ATCC 11303(pACT) produced ca. 40 mM acetone. Glucose-fed cultures of strain ATCC 11303(pACT) resulted in a 150% increase in acetone titers compared to those of batch shake flask cultures. External addition of sodium acetate to glucose-fed cultures of ATCC 11303(pACT) resulted in further increased acetone titers. In bioreactor studies, acidic conditions (pH 5.5 versus 6.5) improved acetone production. Despite the substantial acetone evaporation due to aeration and agitation in the bioreactor, 125 to 154 mM acetone accumulated in ATCC 11303(pACT) fermentations. These acetone titers are equal to or higher than those produced by wild-type C. acetobutylicum. This is the first study to demonstrate the ability to use clostridial genes in nonclostridial hosts for solvent production. In addition, acetone-producing E. coli strains may be useful hosts for recombinant protein production in that detrimental acetate accumulation can be avoided. PMID:9501448

  13. Evaluating the Potential Importance of Monoterpene Degradation for Global Acetone Production

    NASA Astrophysics Data System (ADS)

    Kelp, M. M.; Brewer, J.; Keller, C. A.; Fischer, E. V.

    2015-12-01

    Acetone is one of the most abundant volatile organic compounds (VOCs) in the atmosphere, but estimates of the global source of acetone vary widely. A better understanding of acetone sources is essential because acetone serves as a source of HOx in the upper troposphere and as a precursor to the NOx reservoir species peroxyacetyl nitrate (PAN). Although there are primary anthropogenic and pyrogenic sources of acetone, the dominant acetone sources are thought to be from direct biogenic emissions and photochemical production, particularly from the oxidation of iso-alkanes. Recent work suggests that the photochemical degradation of monoterpenes may also represent a significant contribution to global acetone production. We investigate that hypothesis using the GEOS-Chem chemical transport model. In this work, we calculate the emissions of eight terpene species (α-pinene, β-pinene, limonene, Δ3-carene, myrcene, sabinene, trans-β-ocimene, and an 'other monoterpenes' category which contains 34 other trace species) and couple these with upper and lower bound literature yields from species-specific chamber studies. We compare the simulated acetone distributions against in situ acetone measurements from a global suite of NASA aircraft campaigns. When simulating an upper bound on yields, the model-to-measurement comparison improves for North America at both the surface and in the upper troposphere. The inclusion of acetone production from monoterpene degradation also improves the ability of the model to reproduce observations of acetone in East Asian outflow. However, in general the addition of monoterpenes degrades the model comparison for the Southern Hemisphere.

  14. PTEN methylation involved in benzene-induced hematotoxicity.

    PubMed

    Yang, Jing; Zuo, Xin; Bai, Wenlin; Niu, Piye; Tian, Lin; Gao, Ai

    2014-06-01

    It is well known that benzene is a hematotoxic carcinogen. PTEN promoter methylation is a representative example of transcriptional silencing of tumor suppressor genes. However, the effect of PTEN methylation on benzene-induced hematotoxicity has not yet been elucidated. In this study, the animal model of benzene hematotoxicity was successfully established. WBC significantly decreased in experimental groups (P < 0.01). Compared with the control group, the weight of rats increased slowly and even declined with increasing doses of benzene in the benzene-treated groups. An increase in the level of PTEN methylation was observed in the low dose group, and PTEN methylation level increased significantly in a dose-dependent manner. However, it was interesting that PTEN mRNA expression increased in the low dose group, but declined with increasing doses of benzene. The decrease of tumor suppressor function caused by PTEN methylation may be an important mechanism of benzene hematotoxicity. Furthermore, lymphoblast cell line F32 was incubated by benzene and then treated with 5-aza and TSA, alone or in combination. A dramatic decrease in the PTEN mRNA expression and a significant increase of PTEN methylation level in benzene-treated cells were also shown. PTEN mRNA expression was up regulated and PTEN methylation level was reduced by the epigenetic inhibitors, 5-aza and TSA. In conclusion, PTEN methylation is involved in benzene-induced hematotoxicity through suppressing PTEN mRNA expression.

  15. Acetone-CO enhancement ratios in the upper troposphere based on 7 years of CARIBIC data: new insights and estimates of regional acetone fluxes

    NASA Astrophysics Data System (ADS)

    Fischbeck, Garlich; Bönisch, Harald; Neumaier, Marco; Brenninkmeijer, Carl A. M.; Orphal, Johannes; Brito, Joel; Becker, Julia; Sprung, Detlev; van Velthoven, Peter F. J.; Zahn, Andreas

    2017-02-01

    Acetone and carbon monoxide (CO) are two important trace gases controlling the oxidation capacity of the troposphere; enhancement ratios (EnRs) are useful in assessing their sources and fate between emission and sampling, especially in pollution plumes. In this study, we focus on in situ data from the upper troposphere recorded by the passenger-aircraft-based IAGOS-CARIBIC (In-service Aircraft for a Global Observing System-Civil Aircraft for the Regular Investigation of the atmosphere Based on an Instrument Container) observatory over the periods 2006-2008 and 2012-2015. This dataset is used to investigate the seasonal and spatial variation of acetone-CO EnRs. Furthermore, we utilize a box model accounting for dilution, chemical degradation and secondary production of acetone from precursors. In former studies, increasing acetone-CO EnRs in a plume were associated with secondary production of acetone. Results of our box model question this common presumption and show increases of acetone-CO EnR over time without taking secondary production of acetone into account. The temporal evolution of EnRs in the upper troposphere, especially in summer, is not negligible and impedes the interpretation of EnRs as a means for partitioning of acetone and CO sources in the boundary layer. In order to ensure that CARIBIC EnRs represent signatures of source regions with only small influences by dilution and chemistry, we limit our analysis to temporal and spatial coherent events of high-CO enhancement. We mainly focus on North America and Southeast Asia because of their different mix of pollutant sources and the good data coverage. For both regions, we find the expected seasonal variation in acetone-CO EnRs with maxima in summer, but with higher amplitude over North America. We derive mean (± standard deviation) annual acetone fluxes of (53 ± 27) 10-13 kg m-2 s-1 and (185 ± 80) 10-13 kg m-2 s-1 for North America and Southeast Asia, respectively. The derived flux for North America

  16. At-line benzene monitor for measuring benzene in precipitate hydrolysis aqueous

    SciTech Connect

    Jenkins, W.J.

    1992-10-14

    A highly accurate and repeatable at-line benzene monitor (ALBM) has been developed to measure the benzene concentration in precipitate hydrolysis aqueous (PHA) in the DWPF. This analyzer was conceived and jointly developed within SRTC by the Analytical Development and the Defense Waste Process Technology Sections with extensive support from the Applied Statistics Group and the TNX Operations Section. It is recommended that an ALBM specifically adapted to DWPF analytical requirements be used to measure benzene in PHA; calibrations be performed using a 10% methanol solution matrix (for standard stability); and based on experience gained in development at TNX, the services of ADS and ASG be employed to both adapt the ALBM to DWPF requirements and develop statistical control procedures.

  17. Benzylsuccinate Formation as a Means of Anaerobic Toluene Activation by Sulfate-Reducing Strain PRTOL1

    PubMed Central

    Beller, H. R.; Spormann, A. M.

    1997-01-01

    Permeabilized cells of toluene-mineralizing, sulfate-reducing strain PRTOL1 catalyzed the addition of toluene to fumarate to form benzylsuccinate under anaerobic conditions. Recent in vitro studies with two toluene-mineralizing, denitrifying bacteria demonstrated the same fumarate addition reaction and indicated that it may be the first step of anaerobic toluene degradation. This study with strain PRTOL1 shows that anaerobic toluene activation by fumarate addition occurs in bacteria as disparate as sulfate-reducing and denitrifying species (members of the delta and beta subclasses of the Proteobacteria, respectively). PMID:16535701

  18. Influence of dynamic hand-grip exercise on acetone in gas emanating from human skin.

    PubMed

    Mori, Kenji; Funada, Toshiaki; Kikuchi, Maasa; Ohkuwa, Tetsuo; Itoh, Hiroshi; Yamazaki, Yoshihiko; Tsuda, Takao

    2008-01-01

    This study investigated the effects of dynamic hand-grip exercise on skin-gas acetone concentration. The subjects for this experiment were seven healthy males. In the first experiment, to ascertain the reproducibility of the results for the skin-gas acetone concentration test, the skin gas was collected four times from one subject. In the second experiment, all subjects performed three different types of exercise (Exercises I-III) for a duration of 60 s. Exercise I was performed at 10 kg with one contraction every 3 s. Exercise II was 30 kg with one contraction every 3 s. Exercise III was 10 kg with one contraction per second. Acetone concentration was analyzed by gas chromatography. In the first experiment, reasonable reproducibility was obtained in measurements of skin-gas acetone concentration during the hand-grip exercise. In the second experiment, acetone concentration in skin gas during hand-grip exercise II was significantly higher than the basal level. Although skin-gas acetone levels increased in all subjects during exercises I and III, a significant difference was not found. No significant difference was found in skin-gas acetone concentration during dynamic hand-grip exercise among exercises I, II, and III. This study confirmed that skin-gas acetone levels increase during dynamic hand-grip exercise.

  19. Influence of cycle exercise on acetone in expired air and skin gas.

    PubMed

    Yamai, Kazuaki; Ohkuwa, Tetsuo; Itoh, Hiroshi; Yamazaki, Yoshihiko; Tsuda, Takao

    2009-01-01

    This study investigated the influence of cycle exercise on acetone concentration in expired air and skin gas. The subjects for this experiment were eight healthy males. Subjects performed a continuous graded exercise test on a cycle ergometer. The workloads were 360 (1.0 kg), 720 (2.0 kg), 990 (2.75 kg) kgm/min, and each stage was 5 min in duration. A pedaling frequency of 60 rpm was maintained. Acetone concentration was analyzed by gas chromatography. The acetone concentration in expired air and skin gas during exercise at 990 kgm/min intensity was significantly increased compared with the basal level. The skin-gas acetone concentration at 990 kgm/min significantly increased compared with the 360 kgm/min (P < 0.05). The acetone excretion of expired air at 720 kgm/min and 990 kgm/min significantly increased compared with the basal level (P < 0.05). Acetone concentration in expired air was 4-fold greater than skin gas at rest and 3-fold greater during exercise (P < 0.01). Skin gas acetone concentration significantly related with expired air (r = 0.752; P < 0.01). This study confirmed that the skin-gas acetone concentration reflected that of expired air.

  20. [Materials for the substantiation of the biological MAC of benzene].

    PubMed

    Ulanova, I P; Avilova, G G; Karpukhina, E A; Karimova, L K; Boĭko, V I; Makar'eva, L M

    1990-09-01

    Relatively great amount of benzene-originated phenol, the presence of a definite relationship between phenol amount in the urine and benzene content in the air indicate that it is reasonable to use a phenol sample as an exposure test. To determine the intensity of benzene exposure, data on phenol content in the urine of people working at some big-tonnage enterprises has been analyzed. On the basis of the national and foreign literature data on the correlation between the phenol urine concentration and the level of benzene exposure a regression equation was deduced, which has made it possible to calculate phenol content in the urine on the level of average working day benzene concentration adopted in the USSR. This value equals 15 mg/l, which was proposed as a biological benzene MAC.

  1. Infrared spectroscopy of acetone-methanol liquid mixtures: Hydrogen bond network

    NASA Astrophysics Data System (ADS)

    Max, Jean-Joseph; Chapados, Camille

    2005-01-01

    Acetone and methanol mixtures covering the whole solubility range are studied by Fourier transform infrared attenuated total reflectance spectroscopy. The strong bathochromic shifts observed on methanol OH and acetone CO stretch IR bands are related to hydrogen bonds between these groups. Factor analysis separates the spectra into four acetone and four methanol principal factors. A random molecular model developed for the acetone-water system [Max and Chapados, J. Chem. Phys. 119, 5632 (2003); 120, 6625 (2004)] was modified for the acetone-methanol system. This model, which takes into account H bonds accepted by methanol and acetone, is made up of 12 methanol and 11 acetone species. The 23 species abundances are regrouped according to evolving patterns or spectral similarities to compare them to the eight experimental factors. Methanol acetone mixtures are almost but not exactly random: the methanol oxygen atoms have stronger capacities than acetone to accept H bonds from methanol in the proportion 1.5 to 1. Since oxygen atoms are in excess, all labile hydrogen atoms will form H bonds. As acetone is added to methanol, its OH stretch band blueshifts as the number of accepted H bonds decreases. When methanol gives one H bond and accepts one, an H-bonding network is formed that was coined "chained organization." However, the acetone molecules do not sequester any methanol molecules by breaking or increasing the H-bond methanol network. Similarly, the methanol molecules do not sequester any acetone molecules. Consequently no acetone-methanol complex is formed in the mixtures. Gaussian simulation of the four principal factors in the methanol OH stretch region gave three distinct absorption regimes consisting of the OH stretch bands and their satellites that are identified as MeOH1, MeOH2, and MeOH3 (subscript indicates the number of H, covalent and H bond, which surround the oxygen). These regimes are related to those identified in the water-acetone system as OH2, OH3

  2. Ground discarded tires remove naphthalene, toluene, and mercury from water.

    PubMed

    Gunasekara, A S; Donovan, J A; Xing, B

    2000-10-01

    Ground discarded tires adsorb naphthalene, toluene, and mercury ions (Hg2+) from aqueous solutions. Their sorption properties and kinetics were determined by batch equilibration techniques at 20 degrees C. The isotherms were linear for naphthalene and toluene and their sorption coefficients were about 1340 and 255 (ml/g), respectively. Sorption of the organic compounds by the ground rubber particles was relatively fast (within 30 min). However, the mercury isotherms were non-linear, and its sorption was slow as compared to the sorption of the organics. The rubber particles had a strong affinity for Hg2+. These results show that ground discarded tires are effective in removing organic compounds and Hg2+ from wastewater and other contaminated environments. In addition it would be a useful, environmentally friendly use of discarded tires (one tire per year per capita is discarded in the United States).

  3. Integration of stable isotope and trace contaminant concentration for enhanced forensic acetone discrimination

    SciTech Connect

    Moran, James J.; Ehrhardt, Christopher J.; Wahl, Jon H.; Kreuzer, Helen W.; Wahl, Karen L.

    2013-07-18

    We analyzed 21 neat acetone samples from 15 different suppliers to demonstrate the utility of a coupled stable isotope and trace contaminant strategy for distinguishing forensically-relevant samples. By combining these two pieces of orthogonal data we could discriminate all of the acetones that were produced by the 15 different suppliers. Using stable isotope ratios alone, we were able to distinguish 9 acetone samples, while the remaining 12 fell into four clusters with highly similar signatures. Adding trace chemical contaminant information enhanced discrimination to 13 individual acetones with three residual clusters. The acetones within each cluster shared a common manufacturer and might, therefore, not be expected to be resolved. The data presented here demonstrates the power of combining orthogonal data sets to enhance sample fingerprinting and highlights the role disparate data could play in future forensic investigations.

  4. Detection of acetone processing of castor bean mash for forensic investigation of ricin preparation methods.

    PubMed

    Kreuzer, Helen W; Wahl, Jon H; Metoyer, Candace N; Colburn, Heather A; Wahl, Karen L

    2010-07-01

    Samples containing the toxic castor bean protein ricin have been recently seized in connection with biocriminal activity. Analytical methods that enable investigators to determine how the samples were prepared and to match seized samples to potential source materials are needed. One commonly described crude ricin preparation method is acetone extraction of crushed castor beans. Here, we describe the use of solid-phase microextraction and headspace analysis to determine whether castor beans were processed by acetone extraction. We prepared acetone-extracted castor bean mash, along with controls of unextracted mash and mash extracted with nonacetone organic solvents. Samples of acetone-extracted mash and unextracted mash were stored in closed containers for up to 109 days at both room temperature and -20 degrees C, and in open containers at room temperature for up to 94 days. Acetone-extracted bean mash could consistently be statistically distinguished from controls, even after storage in open containers for 94 days.

  5. Boron nitride nanotube based nanosensor for acetone adsorption: a DFT simulation.

    PubMed

    Ganji, Masoud Darvish; Rezvani, Mahyar

    2013-03-01

    We have investigated the adsorption properties of acetone on zigzag single-walled BNNTs using density functional theory (DFT) calculations. The results obtained show that acetone is strongly bound to the outer surface of a (5,0) BNNT on the top site directly above the boron atom, with a binding energy of -96.16 kJ mol(-1) and a B-O binding distance of 1.654 Å. Our first-principles calculations also predict that the ability of zigzag BNNTs to adsorb acetone is significantly stronger than the corresponding ability of zigzag CNTs. A comparative investigation of BNNTs with different diameters indicated that the ability of the side walls of the tubes to adsorb acetone decreases significantly for nanotubes with larger diameters. Furthermore, the stability of the most stable acetone/BNNT complex was tested using ab initio molecular dynamics simulation at room temperature.

  6. Subnanosecond Short Wavelength Generation Using Optical Fibers.

    DTIC Science & Technology

    2014-09-26

    Benzene formed a waveguide, but in preliminary "" 4 experiments only 1 was converted to stimulated Stokes scattering. - ’- Of particular interest was the...Raman scattering. Lines were seen due to quartz in fibers and due to organic liquids in liquid-filled capillaries. Benzene formed a waveguide, but in...experiments were made looking for Raman scattering from cyclohexane, acetone, toluene and benzene . In general the Raman lines observed were very weak

  7. Selective toluene disproportionation process proven at Italian refinery

    SciTech Connect

    Gorra, F. ); Breckenridge, L.L.; Guy, W.M. ); Sailor, R.A. )

    1992-10-12

    This paper reports that a selective toluene disproportionation process based on Mobil's ZSM-5 catalyst, Mstdp, has completed a full 500-day first cycle at Enichem Anic's refinery in Gela, Italy. After regeneration, a second cycle operated for 100 days to confirm the regenerability of the catalyst. For Enichem, the main objective was to evaluate process yields and economics. For Mobil, the main objective was to demonstrate commercial catalyst selectivation (the establishment of high selectivity through a pretreatment step), cycle length, and regenerability.

  8. Heat transfer performance of a pulsating heat pipe charged with acetone-based mixtures

    NASA Astrophysics Data System (ADS)

    Wang, Wenqing; Cui, Xiaoyu; Zhu, Yue

    2016-12-01

    Pulsating heat pipes (PHPs) are used as high efficiency heat exchangers, and the selection of working fluids in PHPs has a great impact on the heat transfer performance. This study investigates the thermal resistance characteristics of the PHP charged with acetone-based binary mixtures, where deionized water, methanol and ethanol were added to and mixed with acetone, respectively. The volume mixing ratios were 2:1, 4:1 and 7:1, and the heating power ranged from 10 to 100 W with filling ratios of 45, 55, 62 and 70%. At a low filling ratio (45%), the zeotropic characteristics of the binary mixtures have an influence on the heat transfer performance of the PHP. Adding water, which has a substantially different boiling point compared with that of acetone, can significantly improve the anti-dry-out ability inside the PHP. At a medium filling ratio (55%), the heat transfer performance of the PHP is affected by both phase transition characteristics and physical properties of working fluids. At high heating power, the thermal resistance of the PHP with acetone-water mixture is between that with pure acetone and pure water, whereas the thermal resistance of the PHP with acetone-methanol and acetone-ethanol mixtures at mixing ratios of 2:1 and 4:1 is less than that with the corresponding pure fluids. At high filling ratios (62 and 70%), the heat transfer performance of the PHP is mainly determined by the properties of working fluids that affects the flow resistance. Thus, the PHP with acetone-methanol and acetone-ethanol mixtures that have a lower flow resistance shows better heat transfer performance than that with acetone-water mixture.

  9. Structure and internal rotation dynamics of the acetone-neon complex studied by microwave spectroscopy

    NASA Astrophysics Data System (ADS)

    Gao, Jiao; Seifert, Nathan A.; Thomas, Javix; Xu, Yunjie; Jäger, Wolfgang

    2016-12-01

    The microwave spectra of the van der Waals complexes acetone-20Ne and acetone-22Ne were measured using a cavity-based supersonic jet Fourier-transform microwave spectrometer in the region from 5 to 18 GHz. For these two isotopologues, both c- and weaker a-type transitions were observed. The transitions are split into multiplets due to the internal rotation of the two methyl groups in acetone. Initial electronic structure calculations were performed at the MP2/6-311++g (2d, p) level of theory and the internal rotation barrier height of the methyl groups was calculated to be ∼2.8 kJ/mol. The ab initio rotational constants were the basis for the spectroscopic searches, but the multiplet structures and floppiness of the complex made the quantum number assignment very difficult. The assignment was finally achieved with the aid of constructing closed frequency loops and predicting internal rotation splittings using the XIAM internal rotation program. The acetone methyl group tunneling barrier height was determined experimentally to be 3.10(6) kJ mol-1 [259(5) cm-1] in the acetone-Ne complex, which is lower than in the acetone monomer but comparable to the acetone-Ar complex (Kang et al., 2002). Experimental data and high-level CCSD(T)/aug-cc-pVTZ calculations suggest that the Ne atom lies directly above the plane formed by the carbonyl group and the two carbon-carbon bonds, which is different than the slightly offset position found previously in the acetone-Ar complex. Additionally, ab initio calculations and Quantum Theory of Atoms in Molecules analyses were used to analyze the methyl internal rotation motions in acetone and acetone-Ne.

  10. Toluene nitration in irradiated nitric acid and nitrite solution

    SciTech Connect

    Gracy Elias; Bruce J. Mincher; Stephen P. Mezyk; Jim Muller; Leigh R. Martin

    2011-04-01

    The kinetics, mechanisms, and stable products produced for the aryl alkyl mild ortho-para director - toluene, in irradiated nitric acid and neutral nitrite solutions were investigated using ?, and pulse radiolysis. Electron pulse radiolysis was used to determine the bimolecular rate constants for the reaction of toluene with different transient species produced by irradiation. HPLC with UV detection was primarily used to assess the stable reaction products. GC-MS and LC-MS were used to confirm the results from HPLC. Free-radical nitration reaction products were found in irradiated acidic and neutral media. In acidic medium, the ring substitution and side chain substitution and oxidation produced different nitro products. In ring substitution, nitrogen oxide radicals were added mainly to hydroxyl radical-produced cyclohexadienyl radical, and in side chain substitution they were added to the carbon-centered benzyl radical produced by H-atom abstraction. In neutral nitrite toluene solution, radiolytic ring nitration products approached a statistically random distribution, suggesting a free-radical reaction involving addition of the •NO2 radical.

  11. Biofiltration control of VOC emissions: Butane and benzene

    SciTech Connect

    Allen, E.R.

    1995-12-31

    Laboratory studies were conducted on the biological elimination of n-butane and benzene from air streams using activated sludge-treated compost biofilters. Four types of experimental biofilter systems were developed: a bench scale packed tower system used primarily for kinetic studies; a small scale column system used to study the effects of different filter media on n-butane removal; a three stage system used to study benzene elimination; and a static batch biofilter system used to study the effects of temperature, compost water content, compost pH, and initial benzene concentrations on benzene elimination. Removal efficiencies greater than 90% were obtained for n-butane. Removal followed first order kinetics at inlet concentrations less than 25 ppM n-butane and zero order kinetics above 100 ppM n-butane. Removal of benzene followed fractional order kinetics for inlet concentrations from 15 to 200 ppM benzene. Thus, the removal of benzene is both mass transfer and bioreaction limited for the concentration range studied. The removal efficiency of benzene was found to be highly dependent on compost water content, compost pH, and temperature. Compost showed a low capacity for benzene removal, which suggested that degradation of these hydrocarbons required different species of microorganisms.

  12. Carbon and Hydrogen Isotopic Fractionation during Anaerobic Biodegradation of Benzene

    PubMed Central

    Mancini, Silvia A.; Ulrich, Ania C.; Lacrampe-Couloume, Georges; Sleep, Brent; Edwards, Elizabeth A.; Sherwood Lollar, Barbara

    2003-01-01

    Compound-specific isotope analysis has the potential to distinguish physical from biological attenuation processes in the subsurface. In this study, carbon and hydrogen isotopic fractionation effects during biodegradation of benzene under anaerobic conditions with different terminal-electron-accepting processes are reported for the first time. Different enrichment factors (ɛ) for carbon (range of −1.9 to −3.6‰) and hydrogen (range of −29 to −79‰) fractionation were observed during biodegradation of benzene under nitrate-reducing, sulfate-reducing, and methanogenic conditions. These differences are not related to differences in initial biomass or in rates of biodegradation. Carbon isotopic enrichment factors for anaerobic benzene biodegradation in this study are comparable to those previously published for aerobic benzene biodegradation. In contrast, hydrogen enrichment factors determined for anaerobic benzene biodegradation are significantly larger than those previously published for benzene biodegradation under aerobic conditions. A fundamental difference in the previously proposed initial step of aerobic versus proposed anaerobic biodegradation pathways may account for these differences in hydrogen isotopic fractionation. Potentially, C-H bond breakage in the initial step of the anaerobic benzene biodegradation pathway may account for the large fractionation observed compared to that in aerobic benzene biodegradation. Despite some differences in reported enrichment factors between cultures with different terminal-electron-accepting processes, carbon and hydrogen isotope analysis has the potential to provide direct evidence of anaerobic biodegradation of benzene in the field. PMID:12513995

  13. Comparison of benzene adsorption on Ni(111) and Ni(100)

    SciTech Connect

    Myers, A.K.; Schoofs, G.R.; Benziger, J.B.

    1987-04-23

    The adsorption of benzene on the Ni(100) and the Ni(111) crystal faces was compared in order to investigate the effect of crystallographic orientation on the interaction of benzene with nickel. Temperature programmed reaction (TPR) was used to characterize adsorption bond strengths and determine product distributions. Benzene was found to adsorb 44 kJ/mol less strongly on the Ni(111) plane than on the Ni(100) surface. Di-hydrogen evolution formed after decomposition of benzene was similar for both surfaces. Benzene chemisorption was modeled by using extended Hueckel theory (EHT), a semiempirical molecular orbital method. The calculations predict bonding of benzene over a threefold hollow site on Ni(111). Multicenter bonding of the benzene carbon atoms with the nickel atoms is indicated by the calculations. The binding strength of benzene is controlled by the degree of overlap of the carbon ..pi.. orbitals with the nickel atom orbitals. Benzene binds more strongly to the Ni(100) surface because the carbon ..pi.. orbitals can overlap with four nickel atoms on the fourfold hollow site, whereas on Ni(111) the carbon atoms are closely associated with only three nickel atoms on the threefold hollow site.

  14. Benzene-free synthesis of adipic acid.

    PubMed

    Niu, Wei; Draths, K M; Frost, J W

    2002-01-01

    Strains of Escherichia coli were constructed and evaluated that synthesized cis,cis-muconic acid from D-glucose under fed-batch fermentor conditions. Chemical hydrogenation of the cis,cis-muconic acid in the resulting fermentation broth has also been examined. Biocatalytic synthesis of adipic acid from glucose eliminates two environmental concerns characteristic of industrial adipic acid manufacture: use of carcinogenic benzene and benzene-derived chemicals as feedstocks and generation of nitrous oxide as a byproduct of a nitric acid catalyzed oxidation. While alternative catalytic syntheses that eliminate the use of nitric acid have been developed, most continue to rely on petroleum-derived benzene as the ultimate feedstock. In this study, E. coli WN1/pWN2.248 was developed that synthesized 36.8 g/L of cis,cis-muconic acid in 22% (mol/mol) yield from glucose after 48 h of culturing under fed-batch fermentor conditions. Optimization of microbial cis,cis-muconic acid synthesis required expression of three enzymes not typically found in E. coli. Two copies of the Klebsiella pneumoniae aroZ gene encoding DHS dehydratase were inserted into the E. coli chromosome, while the K. pneumoniae aroY gene encoding PCA decarboxylase and the Acinetobacter calcoaceticus catA gene encoding catechol 1,2-dioxygenase were expressed from an extrachromosomal plasmid. After fed-batch culturing of WN1/pWN2.248 was complete, the cells were removed from the broth, which was treated with activated charcoal and subsequently filtered to remove soluble protein. Hydrogenation of the resulting solution with 10% Pt on carbon (5% mol/mol) at 3400 kPa of H2 pressure for 2.5 h at ambient temperature afforded a 97% (mol/mol) conversion of cis,cis-muconic acid into adipic acid.

  15. Accumulation of chlorinated benzenes in earthworms

    USGS Publications Warehouse

    Beyer, W.N.

    1996-01-01

    Chlorinated benzenes are widespread in the environment. Hexachlorobenzene, pentachlorobenzene and all isomers of dichlorobenzenes, trichlorobenzenes, and tetrachlorobenzenes, have been detected in fish, water, and sediments from the Great Lakes. This paper describes a long-term (26 week) experiment relating the concentrations of chlorinated benzenes in earthworms to 1) the length of exposure, and it describes three 8-week experiments relating concentrations of chlorinated benzenes in earthworms to 2) their concentration in soil 3) the soil organic matter content and, 4) the degree of chlorination. In the 26-week experiment, the concentration of 1,2,4 - trichlorobenzene in earthworms fluctuated only slightly about a mean of 0.63 ppm (Fig. 1). Although a statistically significant decrease can be demonstrated over the test (Pearson correlation coefficient, r = -0.62 p < 0.05), the decrease was minor. Hexachlorobenzene in earthworms showed a cyclical trend that coincided with replacement of the media, and a slight but statistically significant tendency to increase from about 2 to 3 ppm over the 26 weeks (r = 0.55, p < 0.05). Concentrations of both trichlorobenzene and hexachlorobenzene in earthworms increased as the concentrations in the soil increased (Fig. 2), but leveled off at the highest soil concentrations. The most surprising result of this study was the relatively low concentrations in earthworms compared to those in soils. The average concentration of each of the six isomers of trichlorobenzene and tetrachlorobenzene in earthworms was only about 1 ppm (Table 2); the isomeric structure did not affect accumulation. The concentration of organic matter in soil had a prominent effect on hexachlorobenzene concentrations in earthworms (Fig. 3). Hexachlorobenzene concentrations decreased steadily from 9.3 ppm in earthworms kept in soil without any peat moss added to about 1 ppm in soil containing 16 or 32% organic matter.

  16. 40 CFR 80.1230 - What are the gasoline benzene requirements for refiners and importers?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 17 2013-07-01 2013-07-01 false What are the gasoline benzene... Benzene Gasoline Benzene Requirements § 80.1230 What are the gasoline benzene requirements for refiners and importers? (a) Annual average benzene standard. (1) Except as specified in paragraph (c) of...

  17. 40 CFR 80.1238 - How is a refinery's or importer's average benzene concentration determined?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... average benzene concentration determined? 80.1238 Section 80.1238 Protection of Environment ENVIRONMENTAL... Benzene Gasoline Benzene Requirements § 80.1238 How is a refinery's or importer's average benzene concentration determined? (a) The average benzene concentration of gasoline produced at a refinery or...

  18. 40 CFR 80.1230 - What are the gasoline benzene requirements for refiners and importers?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 17 2012-07-01 2012-07-01 false What are the gasoline benzene... Benzene Gasoline Benzene Requirements § 80.1230 What are the gasoline benzene requirements for refiners and importers? (a) Annual average benzene standard. (1) Except as specified in paragraph (c) of...

  19. 40 CFR 80.1238 - How is a refinery's or importer's average benzene concentration determined?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... average benzene concentration determined? 80.1238 Section 80.1238 Protection of Environment ENVIRONMENTAL... Benzene Gasoline Benzene Requirements § 80.1238 How is a refinery's or importer's average benzene concentration determined? (a) The average benzene concentration of gasoline produced at a refinery or...

  20. 40 CFR 80.1238 - How is a refinery's or importer's average benzene concentration determined?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... average benzene concentration determined? 80.1238 Section 80.1238 Protection of Environment ENVIRONMENTAL... Benzene Gasoline Benzene Requirements § 80.1238 How is a refinery's or importer's average benzene concentration determined? (a) The average benzene concentration of gasoline produced at a refinery or...

  1. 40 CFR 80.1230 - What are the gasoline benzene requirements for refiners and importers?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 16 2011-07-01 2011-07-01 false What are the gasoline benzene... Benzene Gasoline Benzene Requirements § 80.1230 What are the gasoline benzene requirements for refiners and importers? (a) Annual average benzene standard. (1) Except as specified in paragraph (c) of...

  2. 40 CFR 80.1238 - How is a refinery's or importer's average benzene concentration determined?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... average benzene concentration determined? 80.1238 Section 80.1238 Protection of Environment ENVIRONMENTAL... Benzene Gasoline Benzene Requirements § 80.1238 How is a refinery's or importer's average benzene concentration determined? (a) The average benzene concentration of gasoline produced at a refinery or...

  3. 40 CFR 80.1230 - What are the gasoline benzene requirements for refiners and importers?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 17 2014-07-01 2014-07-01 false What are the gasoline benzene... Benzene Gasoline Benzene Requirements § 80.1230 What are the gasoline benzene requirements for refiners and importers? (a) Annual average benzene standard. (1) Except as specified in paragraph (c) of...

  4. 40 CFR 80.1238 - How is a refinery's or importer's average benzene concentration determined?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... average benzene concentration determined? 80.1238 Section 80.1238 Protection of Environment ENVIRONMENTAL... Benzene Gasoline Benzene Requirements § 80.1238 How is a refinery's or importer's average benzene concentration determined? (a) The average benzene concentration of gasoline produced at a refinery or...

  5. 40 CFR 80.1235 - What gasoline is subject to the benzene requirements of this subpart?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... benzene requirements of this subpart? 80.1235 Section 80.1235 Protection of Environment ENVIRONMENTAL... Benzene Gasoline Benzene Requirements § 80.1235 What gasoline is subject to the benzene requirements of... not include the volume and benzene content of the oxygenate in any compliance calculations or...

  6. 40 CFR 80.1230 - What are the gasoline benzene requirements for refiners and importers?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 16 2010-07-01 2010-07-01 false What are the gasoline benzene... Benzene Gasoline Benzene Requirements § 80.1230 What are the gasoline benzene requirements for refiners and importers? (a) Annual average benzene standard. (1) Except as specified in paragraph (c) of...

  7. A Portable Real-Time Ringdown Breath Acetone Analyzer: Toward Potential Diabetic Screening and Management

    PubMed Central

    Jiang, Chenyu; Sun, Meixiu; Wang, Zhennan; Chen, Zhuying; Zhao, Xiaomeng; Yuan, Yuan; Li, Yingxin; Wang, Chuji

    2016-01-01

    Breath analysis has been considered a suitable tool to evaluate diseases of the respiratory system and those that involve metabolic changes, such as diabetes. Breath acetone has long been known as a biomarker for diabetes. However, the results from published data by far have been inconclusive regarding whether breath acetone is a reliable index of diabetic screening. Large variations exist among the results of different studies because there has been no “best-practice method” for breath-acetone measurements as a result of technical problems of sampling and analysis. In this mini-review, we update the current status of our development of a laser-based breath acetone analyzer toward real-time, one-line diabetic screening and a point-of-care instrument for diabetic management. An integrated standalone breath acetone analyzer based on the cavity ringdown spectroscopy technique has been developed. The instrument was validated by using the certificated gas chromatography-mass spectrometry. The linear fittings suggest that the obtained acetone concentrations via both methods are consistent. Breath samples from each individual subject under various conditions in total, 1257 breath samples were taken from 22 Type 1 diabetic (T1D) patients, 312 Type 2 diabetic (T2D) patients, which is one of the largest numbers of T2D subjects ever used in a single study, and 52 non-diabetic healthy subjects. Simultaneous blood glucose (BG) levels were also tested using a standard diabetic management BG meter. The mean breath acetone concentrations were determined to be 4.9 ± 16 ppm (22 T1D), and 1.5 ± 1.3 ppm (312 T2D), which are about 4.5 and 1.4 times of the one in the 42 non-diabetic healthy subjects, 1.1 ± 0.5 ppm, respectively. A preliminary quantitative correlation (R = 0.56, p < 0.05) between the mean individual breath acetone concentration and the mean individual BG levels does exist in 20 T1D subjects with no ketoacidosis. No direct correlation is observed in T1D subjects, T

  8. Formation of halogenated acetones in the lower troposphere

    NASA Astrophysics Data System (ADS)

    Sattler, Tobias; Wittmer, Julian; Krause, Torsten; Schöler, Heinz Friedrich; Kamilli, Katharina; Held, Andreas; Zetzsch, Cornelius; Ofner, Johannes; Atlas, Elliot

    2015-04-01

    Western Australia is a semi-/arid region that is heavily influenced by climate change and agricultural land use. The area is known for its saline lakes with a wide range of hydrogeochemical parameters and consists of ephemeral saline and saline groundwater fed lakes with a pH range from 2.5 to 7.1. In 2012 a novel PTFE-chamber was setup directly on the lakes. The 1.5 m³ cubic chamber was made of UV transparent PTFE foil to permit photochemistry while preventing dilution of the air due to lateral wind transport. This experimental setup allows linking measured data directly to the chemistry of and above the salt lakes. Air samples were taken using stainless steel canisters and measured by GC-MS/ECD. Sediment, crust and water samples were taken for investigation of potential VOC and VOX emissions in the laboratory using GC-MS. Several lakes were investigated and canister samples were taken over the day to see diurnal variations. The first samples were collected at 6 a.m. and from this time every 2 hours a canister was filled with chamber air. Concentrations of chloroacetone up to 15 ppb and of bromoacetone up to 40 ppb in the air samples were detected. The concentrations vary over the day and display their highest values around noon. Soil and water samples showed a variety of highly volatile and semi-volatile VOC/VOX but no halogenated acetones. An abiotic formation of these VOC/VOX seems conclusive due to iron-catalysed reactions below the salt crust [1]. The salt crust is the interface through which VOC/VOX pass from soil/groundwater to the atmosphere where they were photochemically altered. This explains the finding of halo acetones only in the air samples and not in water and soil samples measured in the laboratory. The main forming pathway for these haloacetones is the direct halogenation due to atomic chlorine and bromine above the salt lakes [2]. A minor pathway is the atmospheric degradation of chloropropane and bromopropane [3]. These halopropanes were found

  9. Use of radiation sources with mercury isotopes for real-time highly sensitive and selective benzene determination in air and natural gas by differential absorption spectrometry with the direct Zeeman effect.

    PubMed

    Revalde, Gita; Sholupov, Sergey; Ganeev, Alexander; Pogarev, Sergey; Ryzhov, Vladimir; Skudra, Atis

    2015-08-05

    A new analytical portable system is proposed for the direct determination of benzene vapor in the ambient air and natural gas, using differential absorption spectrometry with the direct Zeeman effect and innovative radiation sources: capillary mercury lamps with different isotopic compositions ((196)Hg, (198)Hg, (202)Hg, (204)Hg, and natural isotopic mixture). Resonance emission of mercury at a wavelength of 254 nm is used as probing radiation. The differential cross section of benzene absorption in dependence on wavelength is determined by scanning of magnetic field. It is found that the sensitivity of benzene detection is enhanced three times using lamp with the mercury isotope (204)Hg in comparison with lamp, filled with the natural isotopic mixture. It is experimentally demonstrated that, when benzene content is measured at the Occupational Exposure Limit (3.2 mg/m(3) for benzene) level, the interference from SO2, NO2, O3, H2S and toluene can be neglected if concentration of these gases does not exceed corresponding Occupational Exposure Limits. To exclude the mercury effect, filters that absorb mercury and let benzene pass in the gas duct are proposed. Basing on the results of our study, a portable spectrometer is designed with a multipath cell of 960 cm total path length and detection limit 0.5 mg/m(3) at 1 s averaging and 0.1 mg/m(3) at 30 s averaging. The applications of the designed spectrometer to measuring the benzene concentration in the atmospheric air from a moving vehicle and in natural gas are exemplified.

  10. 40 CFR 721.10238 - Formaldehyde, polymers with acetone-phenol reaction products and phenol, potassium sodium salts.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Formaldehyde, polymers with acetone..., polymers with acetone-phenol reaction products and phenol, potassium sodium salts. (a) Chemical substance..., polymers with acetone-phenol reaction products and phenol, potassium sodium salts (PMN P-09-147; CAS...

  11. Heterogeneous photocatalytic oxidation of acetone for airpurification by near UV-irradiated titanium dioxide.

    PubMed

    Chang, Chiu-Ping; Chen, Jong-Nan; Lu, Ming-Chun

    2003-06-01

    This work presents a photocatalysis-based method to treat and purify air because of its broad applicability to common, oxidizable air contaminants. The effect of oxygen content, temperature, water vapor, and acetone concentration on the photooxidation of acetone on TiO2 surface was investigated. The photocatalytic decomposition reaction of acetone obeyed the first-order equation. The decomposition rate increased with increasing the oxygen content. The rate of acetone oxidation increased when water vapor increased from 18.7 to 417 microM and decreased at higher than 417 microM. The conversion and mineralization of acetone decreased at higher than 138 degrees C. The initial rate of acetone degradation can be well described by the Langmuir-Hinshelwood rate form. The specific reaction rate constant and the equilibrium adsorption are 15.8 microM/min and 0.0671 L/microM, respectively. The difference between observed and estimated half-lives became larger when the initial concentration of acetone was increased. It is assumed that the intermediates competed with parent compound so that delayed the half-life. The detection of CO2 production can support this assumption.

  12. Measurement of breath acetone concentrations by selected ion flow tube mass spectrometry in type 2 diabetes.

    PubMed

    Storer, Malina; Dummer, Jack; Lunt, Helen; Scotter, Jenny; McCartin, Fiona; Cook, Julie; Swanney, Maureen; Kendall, Deborah; Logan, Florence; Epton, Michael

    2011-12-01

    Selected ion flow tube-mass spectrometry (SIFT-MS) can measure volatile compounds in breath on-line in real time and has the potential to provide accurate breath tests for a number of inflammatory, infectious and metabolic diseases, including diabetes. Breath concentrations of acetone in type 2 diabetic subjects undertaking a long-term dietary modification programme were studied. Acetone concentrations in the breath of 38 subjects with type 2 diabetes were determined by SIFT-MS. Anthropomorphic measurements, dietary intake and medication use were recorded. Blood was analysed for beta hydroxybutyrate (a ketone body), HbA1c (glycated haemoglobin) and glucose using point-of-care capillary (fingerprick) testing. All subjects were able to undertake breath manoeuvres suitable for analysis. Breath acetone varied between 160 and 862 ppb (median 337 ppb) and was significantly higher in men (median 480 ppb versus 296 ppb, p = 0.01). In this cross-sectional study, no association was observed between breath acetone and either dietary macronutrients or point-of-care capillary blood tests. Breath analysis by SIFT-MS offers a rapid, reproducible and easily performed measurement of acetone concentration in ambulatory patients with type 2 diabetes. The high inter-individual variability in breath acetone concentration may limit its usefulness in cross-sectional studies. Breath acetone may nevertheless be useful for monitoring metabolic changes in longitudinal metabolic studies, in a variety of clinical and research settings.

  13. Concentration of dilute acetone-water solutions using pervaporation

    SciTech Connect

    Hollein, M.E.; Hammond, M.; Slater, C.S. )

    1993-03-01

    The separation of acetone-water mixtures by pervaporation has been studied. Four membranes were evaluated: a silicone composite (SC) membrane, a polydimethylsiloxane (PDMS) membrane, a polymethoxysiloxane (PMS), and a poly-ether-block-polyamide copolymer (PEBA) membrane. The silicone composite membrane exhibited a higher flux and selectivity than any of the other membranes studies. At a feed temperature of 50[degrees]C, a permeate-side pressure of 1 torr, and a feed concentration of 5.0%, the silicone composite membrane had a flux of 1.1 kg/m[sup 2][center dot]h and a selectivity of 50. The effects of temperature and permeate-side pressure on membrane transport were studied using the SC membrane. An increase in temperature increased the flux exponentially, but had little effect on selectivity. An analysis of the data shows that the trend agrees quite well with an Arrhenius-type relationship. As the permeate-side pressure increased, the flux decreased in a sigmoidal fashion over the range evaluated. Selectivity did not change significantly over the lower portion of the pressure range studied. The effect of feed concentration on flux and selectivity was also investigated. 30 refs., 11 figs.

  14. Mathematical modelling of clostridial acetone-butanol-ethanol fermentation.

    PubMed

    Millat, Thomas; Winzer, Klaus

    2017-03-01

    Clostridial acetone-butanol-ethanol (ABE) fermentation features a remarkable shift in the cellular metabolic activity from acid formation, acidogenesis, to the production of industrial-relevant solvents, solventogensis. In recent decades, mathematical models have been employed to elucidate the complex interlinked regulation and conditions that determine these two distinct metabolic states and govern the transition between them. In this review, we discuss these models with a focus on the mechanisms controlling intra- and extracellular changes between acidogenesis and solventogenesis. In particular, we critically evaluate underlying model assumptions and predictions in the light of current experimental knowledge. Towards this end, we briefly introduce key ideas and assumptions applied in the discussed modelling approaches, but waive a comprehensive mathematical presentation. We distinguish between structural and dynamical models, which will be discussed in their chronological order to illustrate how new biological information facilitates the 'evolution' of mathematical models. Mathematical models and their analysis have significantly contributed to our knowledge of ABE fermentation and the underlying regulatory network which spans all levels of biological organization. However, the ties between the different levels of cellular regulation are not well understood. Furthermore, contradictory experimental and theoretical results challenge our current notion of ABE metabolic network structure. Thus, clostridial ABE fermentation still poses theoretical as well as experimental challenges which are best approached in close collaboration between modellers and experimentalists.

  15. Determination of acetone and methyl ethyl ketone in water

    USGS Publications Warehouse

    Tai, D.Y.

    1978-01-01

    Analytical procedures for the determination of acetone and methyl ethyl ketone in water samples were developed. Concentrations in the milligram-per-liter range were determined by injecting an aqueous sample into the analysis system through an injection port, trapping the organics on Tenax-GC at room temperature, and thermally desorbing the organics into a gas chromatograph with a flame ionization detector for analysis. Concentrations in the microgram-per-liter range were determined by sweeping the headspace vapors over a water sample at 50C, trapping on Tenax-GC, and thermally desorbing the organics into the gas chromatograph. The precision for two operators of the milligram-per-liter concentration procedure, expressed as the coefficient of variation, was generally less than 2 percent for concentrations ranging from 16 to 160 milligrams per liter. The precision from two operators of the microgram-per-liter concentration procedure was between 2 and 4 percent for concentrations of 20 and 60 micrograms per liter. (Woodard-USGS)

  16. Acetone, butanol, and ethanol production from wastewater algae.

    PubMed

    Ellis, Joshua T; Hengge, Neal N; Sims, Ronald C; Miller, Charles D

    2012-05-01

    Acetone, butanol, and ethanol (ABE) fermentation by Clostridium saccharoperbutylacetonicum N1-4 using wastewater algae biomass as a carbon source was demonstrated. Algae from the Logan City Wastewater Lagoon system grow naturally at high rates providing an abundant source of renewable algal biomass. Batch fermentations were performed with 10% algae as feedstock. Fermentation of acid/base pretreated algae produced 2.74 g/L of total ABE, as compared with 7.27 g/L from pretreated algae supplemented with 1% glucose. Additionally, 9.74 g/L of total ABE was produced when xylanase and cellulase enzymes were supplemented to the pretreated algae media. The 1% glucose supplement increased total ABE production approximately 160%, while supplementing with enzymes resulted in a 250% increase in total ABE production when compared to production from pretreated algae with no supplementation of extraneous sugar and enzymes. Additionally, supplementation of enzymes produced the highest total ABE production yield of 0.311 g/g and volumetric productivity of 0.102 g/Lh. The use of non-pretreated algae produced 0.73 g/L of total ABE. The ability to engineer novel methods to produce these high value products from an abundant and renewable feedstock such as algae could have significant implications in stimulating domestic energy economies.

  17. Infrared spectroscopy of acetone-water liquid mixtures. I. Factor analysis

    NASA Astrophysics Data System (ADS)

    Max, Jean-Joseph; Chapados, Camille

    2003-09-01

    Acetone and water mixtures covering the whole solubility range were measured by Fourier transform infrared attenuated total reflectance spectroscopy. In this system, only water can supply the hydrogen atoms necessary for hydrogen bonding. Using spectral windowing with factor analysis (FA), 10 principal factors were retrieved, five water and five acetone. Hydrogen bonding is observed on the carbonyl stretch band as water is introduced in the solution, redshifting the band further from its gas position than that observed in pure liquid acetone. This indicates that the hydrogen bonding is stronger than the acetone dipole-dipole interactions because it overrides them. A water molecule isolated in acetone is twice H bonded through its two H atoms; although both OH groups are H-bond donors, the OH stretch band is less redshifted (˜138 cm-1) than that of pure liquid water (˜401 cm-1). This is attributable to the two lone electron pairs remaining on the oxygen atom that sustain a large part of the OH valence bond strength. Hydrogen bonds on the water oxygen weaken both its OH valence bonds and modify the OH stretch band when water is added to the solution. The oxygen atoms of both water and acetone can accept 0, 1, and 2 H bonds given by water to yield three water and three acetone situations. Since these six situations are far less than the 10 principal factors retrieved by FA, other perturbations must be present to account for the difference. Although acetone and water are intermingled through H bonds, hydrates in the sense of an acetone molecule sequestering a number of water molecules or altering the H-bonding water network are not present because the principal factors evolve independently.

  18. Analysis of BTEX and other substituted benzenes in water using headspace SPME-GC-FID: method validation.

    PubMed

    Almeida, Cristina M M; Boas, Luís Vilas

    2004-01-01

    The analysis of BTEX and other substituted benzenes in water samples using solid phase microextraction (SPME) and quantification by gas chromatography with flame ionization detection (GC-FID) was validated. The best analytical conditions were obtained using PDMS/DVB/CAR fibre using headspace extraction (HS-SPME) at 50 [degree]C for 20 min without stirring. The linear range for each compound by HS-SPME with GC/FID was defined. The detection limits for these compounds obtained with PDMS/DVB/CAR fibre and GC/FID were: benzene (15 ng L(-1)), toluene (160 ng L(-1)), monochlorobenzene (54 ng L(-1)), ethylbenzene (32 ng L(-1)), m-xylene (56 ng L(-1)), p-xylene (69 ng L(-1)), styrene (35 ng L(-1)), o-xylene (42 ng L(-1)), m-dichlorobenzene (180 ng L(-1)), p-dichlorobenzene (230 ng L(-1)), o-dichlorobenzene (250 ng L(-1)) and trichlorobenzene (260 ng L(-1)). This headspace SPME-GC-FID method was compared with a previously validated method of analysis using closed-loop-stripping analysis (CLSA). The headspace SPME-GC-FID method is suitable for monitoring the production and distribution of potable water and was used, in field trials, for the analysis of samples from main intakes of water (surface or underground) and from the water supply system of a large area (Lisbon and neighbouring municipalities).

  19. A Convenient Method for the Synthesis of (Prop-2-Ynyloxy)Benzene Derivatives via Reaction with Propargyl Bromide, Their Optimization, Scope and Biological Evaluation

    PubMed Central

    Batool, Tannaza; Rasool, Nasir; Gull, Yasmeen; Noreen, Mnaza; Nasim, Faiz-ul-Hassan; Yaqoob, Asma; Zubair, Muhammad; Rana, Usman Ali; Khan, Salah Ud-Din; Zia-Ul-Haq, M.; Jaafar, Hawa Z. E.

    2014-01-01

    A highly convenient method has been developed for the synthesis of (prop-2-ynyloxy) benzene and its derivatives. Differently substituted phenol and aniline derivatives were allowed to react with propargyl bromide in the presence of K2CO3 base and acetone as solvent. The compounds were synthesized in good yields (53–85%). Low cost, high yields and easy availability of compounds helped in the synthesis. Electron withdrawing groups favor the formation of stable phenoxide ion thus in turn favors the formation of product while electron donating groups do not favor the reaction. Phenol derivatives gave good yields as compared to that of aniline. As aprotic polar solvents favor SN2 type reactions so acetone provided best solvation for the reactions. K2CO3 was proved to be good for the synthesis. Antibacterial, Antiurease and NO scavenging activity of synthesized compounds were also examined. 4-bromo-2-chloro-1-(prop-2-ynyloxy)benzene 2a was found most active compound against urease enzyme with a percentage inhibition of 82.00±0.09 at 100 µg/mL with IC50 value of 60.2. 2-bromo-4-methyl-1-(prop-2-ynyloxy)benzene 2d was found potent antibacterial against Bacillus subtillus showing excellent inhibitory action with percentage inhibition of 55.67±0.26 at 100 µg/ml wih IC50 value of 79.9. Based on results, it can be concluded that some of the synthesized compounds may have potential antiurease and antibacterial effects against several harmful substances. PMID:25545159

  20. A convenient method for the synthesis of (prop-2-ynyloxy)benzene derivatives via reaction with propargyl bromide, their optimization, scope and biological evaluation.

    PubMed

    Batool, Tannaza; Rasool, Nasir; Gull, Yasmeen; Noreen, Mnaza; Nasim, Faiz-ul-Hassan; Yaqoob, Asma; Zubair, Muhammad; Rana, Usman Ali; Khan, Salah Ud-Din; Zia-Ul-Haq, M; Jaafar, Hawa Z E

    2014-01-01

    A highly convenient method has been developed for the synthesis of (prop-2-ynyloxy) benzene and its derivatives. Differently substituted phenol and aniline derivatives were allowed to react with propargyl bromide in the presence of K2CO3 base and acetone as solvent. The compounds were synthesized in good yields (53-85%). Low cost, high yields and easy availability of compounds helped in the synthesis. Electron withdrawing groups favor the formation of stable phenoxide ion thus in turn favors the formation of product while electron donating groups do not favor the reaction. Phenol derivatives gave good yields as compared to that of aniline. As aprotic polar solvents favor SN2 type reactions so acetone provided best solvation for the reactions. K2CO3 was proved to be good for the synthesis. Antibacterial, Antiurease and NO scavenging activity of synthesized compounds were also examined. 4-bromo-2-chloro-1-(prop-2-ynyloxy)benzene 2a was found most active compound against urease enzyme with a percentage inhibition of 82.00±0.09 at 100 µg/mL with IC50 value of 60.2. 2-bromo-4-methyl-1-(prop-2-ynyloxy)benzene 2d was found potent antibacterial against Bacillus subtillus showing excellent inhibitory action with percentage inhibition of 55.67±0.26 at 100 µg/ml wih IC50 value of 79.9. Based on results, it can be concluded that some of the synthesized compounds may have potential antiurease and antibacterial effects against several harmful substances.

  1. Benzene exposure is associated with epigenetic changes (Review).

    PubMed

    Fenga, Concettina; Gangemi, Silvia; Costa, Chiara

    2016-04-01

    Benzene is a volatile aromatic hydrocarbon solvent and is known as one of the predominant air pollutants in the environment. Chronic exposure to benzene is known to cause aplastic anemia and increased risk of acute myelogenous leukemia in humans. Although the mechanisms by which benzene causes toxicity remain to be fully elucidated, it is widely accepted that its metabolism is crucial to its toxicity, with involvement of one or more reactive metabolites. Novel approaches aimed at evaluating different mechanisms by which benzene can impact on human health by altering gene regulation have been developed. Among these novel approaches, epigenetics appears to be promising. The present review article summarizes the most important findings, reported from the literature, on epigenetic modifications correlated to benzene exposure. A computerized search in PubMed was performed in November 2014, using search terms, including 'benzene', 'epigenetic', 'histone modifications', 'DNA methylation' and 'microRNA'. Epidemiological and experimental studies have demonstrated the potential epigenetic effects of benzene exposure. Several of the epigenomic changes observed in response to environmental exposures may be mechanistically associated with susceptibility to diseases. However, further elucidation of the mechanisms by which benzene alters gene expression may improve prediction of the toxic potential of novel compounds introduced into the environment, and allow for more targeted and appropriate disease prevention strategies.

  2. Estimating benzene exposure at a solvent parts washer.

    PubMed

    Nicas, Mark; Plisko, Marc J; Spencer, John W

    2006-05-01

    A mathematical model is described for estimating benzene exposure at a parts washer using petroleum distillates solvent containing benzene. The basic assumptions are that the benzene mass emission rate exponentially decreases over time, and that the air above the parts washer basin to which a worker is exposed is part of a well-mixed air zone termed the near field (relative to the source location). Two previously conducted simulations of the parts washer process are described. A single 1-hour time-weighted average (TWA) benzene concentration was measured during Simulation #1, and two 4-hour TWA benzene concentrations were measured during Simulation #2. The initial benzene concentrations in the solvents were known, and the exponential loss rate constants were estimated from subsequent determinations of the benzene concentrations. Values for the interzonal airflow rate were estimated based on the conceptual geometry of the near field zone and sparse information on air speed near the parts washers. Minimum values for the room supply/exhaust air rate were estimated based on the room volumes and ventilation conditions. The modeled benzene concentrations were within a multiplicative range of one-half to twofold the measured concentrations. Uncertainty in a model estimate was quantified by Monte Carlo analysis; the distributions of model estimates exhibited coefficients of variation of approximately 40%. Issues related to uncertainty in exposure estimates made by mathematical modeling are discussed.

  3. [Benzene in soft drinks: a study in Florence (Italy)].

    PubMed

    Bonaccorsi, Guglielmo; Perico, Andrea; Colzi, Alessio; Bavazzano, Paolo; Di Giusto, Maurizio; Lamberti, Ilaria; Martino, Gianrocco; Puggelli, Francesco; Lorini, Chiara

    2012-01-01

    The aim of this study was to determine the amount of benzene present in soft drinks sold in Florence (Italy). We analyzed 28 different types of soft drinks, by measuring concentrations of benzoic acid, sorbic acid, ascorbic acid (using high performance liquid chromatography with UV detection) and benzene (using gas chromatography and mass spectrometry). Data was analysed by using SPSS 18.0.Traces of benzene were detected in all analyzed beverages, with a mean concentration of 0.45 µg/L (range: 0.15-2.36 µg/L). Statistically significant differences in mean benzene concentrations were found between beverages according to the type of additive indicated on the drink label, with higher concentrations found in beverages containing both ascorbic acid and sodium benzoate. Two citrus fruit-based drinks were found to have benzene levels above the European limit for benzene in drinking water of 1 µg /L. Sodium benzoate and ascorbic acid were also detected in the two drinks.In conclusion, not all soft drink producers have taken steps to eliminate benzoic acid from their soft drinks and thereby reduce the risk of formation of benzene, as recommended by the European Commission. Furthermore, the presence of benzene in trace amounts in all beverages suggests that migration of constituents of plastic packaging materials or air-borne contamination may be occurring.

  4. REACTION OF BENZENE OXIDE WITH THIOLS INCLUDING GLUTATHIONE

    EPA Science Inventory

    This study accounts for the observations that the metabolism of benzene is dominated by the formation of phenol. As demonstrated here, the pathway leading to S-phenylmercapturic acid is necessarily minor on account of the low efficiency of benzene oxide capture by glutathione at ...

  5. The excited state antiaromatic benzene ring: a molecular Mr Hyde?

    PubMed

    Papadakis, Raffaello; Ottosson, Henrik

    2015-09-21

    The antiaromatic character of benzene in its first ππ* excited triplet state (T1) was deduced more than four decades ago by Baird using perturbation molecular orbital (PMO) theory [J. Am. Chem. Soc. 1972, 94, 4941], and since then it has been confirmed through a range of high-level quantum chemical calculations. With focus on benzene we now first review theoretical and computational studies that examine and confirm Baird's rule on reversal in the electron count for aromaticity and antiaromaticity of annulenes in their lowest triplet states as compared to Hückel's rule for the ground state (S0). We also note that the rule according to quantum chemical calculations can be extended to the lowest singlet excited state (S1) of benzene. Importantly, Baird, as well as Aihara [Bull. Chem. Soc. Jpn. 1978, 51, 1788], early put forth that the destabilization and excited state antiaromaticity of the benzene ring should be reflected in its photochemical reactivity, yet, today these conclusions are often overlooked. Thus, in the second part of the article we review photochemical reactions of a series of benzene derivatives that to various extents should stem from the excited state antiaromatic character of the benzene ring. We argue that benzene can be viewed as a molecular "Dr Jekyll and Mr Hyde" with its largely unknown excited state antiaromaticity representing its "Mr Hyde" character. The recognition of the "Jekyll and Hyde" split personality feature of the benzene ring can likely be useful in a range of different areas.

  6. Benzene as a Chemical Hazard in Processed Foods

    PubMed Central

    Salviano dos Santos, Vânia Paula; Medeiros Salgado, Andréa; Guedes Torres, Alexandre; Signori Pereira, Karen

    2015-01-01

    This paper presents a literature review on benzene in foods, including toxicological aspects, occurrence, formation mechanisms, and mitigation measures and analyzes data reporting benzene levels in foods. Benzene is recognized by the IARC (International Agency for Research on Cancer) as carcinogenic to humans, and its presence in foods has been attributed to various potential sources: packaging, storage environment, contaminated drinking water, cooking processes, irradiation processes, and degradation of food preservatives such as benzoates. Since there are no specific limits for benzene levels in beverages and food in general studies have adopted references for drinking water in a range from 1–10 ppb. The presence of benzene has been reported in various food/beverage substances with soft drinks often reported in the literature. Although the analyses reported low levels of benzene in most of the samples studied, some exceeded permissible limits. The available data on dietary exposure to benzene is minimal from the viewpoint of public health. Often benzene levels were low as to be considered negligible and not a consumer health risk, but there is still a need of more studies for a better understanding of their effects on human health through the ingestion of contaminated food. PMID:26904662

  7. Benzene as a Chemical Hazard in Processed Foods.

    PubMed

    Salviano Dos Santos, Vânia Paula; Medeiros Salgado, Andréa; Guedes Torres, Alexandre; Signori Pereira, Karen

    2015-01-01

    This paper presents a literature review on benzene in foods, including toxicological aspects, occurrence, formation mechanisms, and mitigation measures and analyzes data reporting benzene levels in foods. Benzene is recognized by the IARC (International Agency for Research on Cancer) as carcinogenic to humans, and its presence in foods has been attributed to various potential sources: packaging, storage environment, contaminated drinking water, cooking processes, irradiation processes, and degradation of food preservatives such as benzoates. Since there are no specific limits for benzene levels in beverages and food in general studies have adopted references for drinking water in a range from 1-10 ppb. The presence of benzene has been reported in various food/beverage substances with soft drinks often reported in the literature. Although the analyses reported low levels of benzene in most of the samples studied, some exceeded permissible limits. The available data on dietary exposure to benzene is minimal from the viewpoint of public health. Often benzene levels were low as to be considered negligible and not a consumer health risk, but there is still a need of more studies for a better understanding of their effects on human health through the ingestion of contaminated food.

  8. Reactive ring-opened aldehyde metabolites in benzene hematotoxicity.

    PubMed Central

    Witz, G; Zhang, Z; Goldstein, B D

    1996-01-01

    The hematotoxicity of benzene is mediated by reactive benzene metabolites and possibly by other intermediates including reactive oxygen species. We previously hypothesized that ring-opened metabolites may significantly contribute to benzene hematotoxicity. Consistent with this hypothesis, our studies initially demonstrated that benzene is metabolized in vitro to trans-trans-muconaldehyde (MUC), a reactive six-carbon diene dialdehyde, and that MUC is toxic to the bone marrow in a manner similar to benzene. Benzene toxicity most likely involves interactions among several metabolites that operate by different mechanisms to produce more than one biological effect. Our studies indicate that MUC coadministered with hydroquinone is a particularly potent metabolite combination that causes bone marrow damage, suggesting that the involvement of ring-opened metabolites in benzene toxicity may be related to their biological effects in combination with other benzene metabolites. Studies in our laboratory and by others indicate that MUC is metabolized to a variety of compounds by oxidation or reduction of the aldehyde groups. The aldehydic MUC metabolite 6-hydroxy-trans-trans-2,4-hexadienal (CHO-M-OH), similar to MUC but to a lesser extent, is reactive toward glutathione, mutagenic in V79 cells, and hematotoxic in mice. It is formed by monoreduction of MUC, a process that is reversible and could be of biological significance in benzene bone marrow toxicity. The MUC metabolite 6-hydroxy-trans-trans-2,4-hexadienoic (COOH-M-OH) is an end product of MUC metabolism in vitro. Our studies indicate that COOH-M-OH is a urinary metabolite of benzene in mice, a finding that provides further indirect evidence for the in vivo formation of MUC from benzene. Mechanistic studies showed the formation of cis-trans-muconaldehyde in addition to MUC from benzene incubated in a hydroxyl radical-generating Fenton system. These results suggest that the benzene ring is initially opened to cis

  9. Elucidating the Stereochemistry of Enzymatic Benzylsuccinate Synthesis with Chirally Labeled Toluene.

    PubMed

    Seyhan, Deniz; Friedrich, Peter; Szaleniec, Maciej; Hilberg, Markus; Buckel, Wolfgang; Golding, Bernard T; Heider, Johann

    2016-09-12

    Benzylsuccinate synthase is a glycyl radical enzyme that initiates anaerobic toluene metabolism by adding fumarate to the methyl group of toluene to yield (R)-benzylsuccinate. To investigate whether the reaction occurs with retention or inversion of configuration at the methyl group of toluene, we synthesized both enantiomers of chiral toluene with all three H isotopes in their methyl groups. The chiral toluenes were converted into benzylsuccinates preferentially containing (2) H and (3) H at their benzylic C atoms, owing to a kinetic isotope effect favoring hydrogen abstraction from the methyl groups. The configuration of the products was analyzed by enzymatic CoA-thioester synthesis and stereospecific oxidation using enzymes involved in benzylsuccinate degradation. Assessment of the configurations of the benzylsuccinate isomers based on loss or retention of tritium showed that inversion of configuration at the methyl group occurs when the chiral toluenes react with fumarate.

  10. Catalytic conversion of alcohols to hydrocarbons with low benzene content

    DOEpatents

    Narula, Chaitanya K.; Davison, Brian H.; Keller, Martin

    2016-03-08

    A method for converting an alcohol to a hydrocarbon fraction having a lowered benzene content, the method comprising: converting said alcohol to a hydrocarbon fraction by contacting said alcohol, under conditions suitable for converting said alcohol to said hydrocarbon fraction, with a metal-loaded zeolite catalyst catalytically active for converting said alcohol to said hydrocarbon fraction, and contacting said hydrocarbon fraction with a benzene alkylation catalyst, under conditions suitable for alkylating benzene, to form alkylated benzene product in said hydrocarbon fraction. Also described is a catalyst composition useful in the method, comprising a mixture of (i) a metal-loaded zeolite catalyst catalytically active for converting said alcohol to said hydrocarbon, and (ii) a benzene alkylation catalyst, in which (i) and (ii) may be in a mixed or separated state. A reactor for housing the catalyst and conducting the reaction is also described.

  11. Catalytic conversion of alcohols to hydrocarbons with low benzene content

    SciTech Connect

    Narula, Chaitanya K.; Davison, Brian H.; Keller, Martin

    2016-09-06

    A method for converting an alcohol to a hydrocarbon fraction having a lowered benzene content, the method comprising: converting said alcohol to a hydrocarbon fraction by contacting said alcohol, under conditions suitable for converting said alcohol to said hydrocarbon fraction, with a metal-loaded zeolite catalyst catalytically active for converting said alcohol to said hydrocarbon fraction, and contacting said hydrocarbon fraction with a benzene alkylation catalyst, under conditions suitable for alkylating benzene, to form alkylated benzene product in said hydrocarbon fraction. Also described is a catalyst composition useful in the method, comprising a mixture of (i) a metal-loaded zeolite catalyst catalytically active for converting said alcohol to said hydrocarbon, and (ii) a benzene alkylation catalyst, in which (i) and (ii) may be in a mixed or separated state. A reactor for housing the catalyst and conducting the reaction is also described.

  12. Comparison studies of surface cleaning methods for PAN-based carbon fibers with acetone, supercritical acetone and subcritical alkali aqueous solutions

    NASA Astrophysics Data System (ADS)

    Meng, Linghui; Fan, Dapeng; Huang, Yudong; Jiang, Zaixing; Zhang, Chunhua

    2012-11-01

    Four kinds of polyacrylonitrile-based carbon fibers were cleaned by three methods and were characterized by X-ray photoelectron spectroscopy, monofilament tensile strength test and atomic force microscopy (AFM). Experimental results of these tests reveal that the method using supercritical acetone or subcritical potassium hydroxide aqueous solution act as the processing medium shows a better cleaning effect compared to the traditional method, Soxhlet extraction with acetone. The method using supercritical acetone is more appropriate to wipe off the oxygenated contaminants on carbon fibers' surfaces and causes a relatively smaller damage to the bulk strength of each carbon fiber. As far as treating method using the subcritical alkali aqueous solution, it can thoroughly remove silicious contaminants on the surfaces of treated fibers.

  13. Health risk equations and risk assessment of airborne benzene homologues exposure to drivers and passengers in taxi cabins.

    PubMed

    Chen, Xiaokai; Feng, Lili; Luo, Huilong; Cheng, Heming

    2016-03-01

    Interior air environment and health problems of vehicles have attracted increasing attention, and benzene homologues (BHs) including benzene, toluene, ethylbenzene, xylenes, and styrene are primary hazardous gases in vehicular cabins. The BHs impact on the health of passengers and drivers in 38 taxis is assessed, and health risk equations of in-car BHs to different drivers and passengers are induced. The health risk of in-car BHs for male drivers is the highest among all different receptors and is 1.04, 6.67, and 6.94 times more than ones for female drivers, male passengers, and female passengers, respectively. In-car BHs could not lead to the non-cancer health risk to all passengers and drivers as for the maximal value of non-cancer indices is 0.41 and is less than the unacceptable value (1.00) of non-cancer health risk from USEPA. However, in-car BHs lead to cancer health risk to drivers as for the average value of cancer indices is 1.21E-04 which is 1.21 times more than the unacceptable value (1.00E-04) of cancer health risk from USEPA. Finally, for in-car airborne benzene concentration (X, μg/m(3)) to male drivers, female drivers, male passengers, and female passengers, the cancer health risk equations are Y = 1.48E-06X, Y = 1.42E-06X, Y = 2.22E-07X, and Y = 2.13E-07X, respectively, and the non-cancer health risk equations are Y = 1.70E-03X, Y = 1.63E-03X, Y = 2.55E-04X, and Y = 2.45E-04X, respectively.

  14. Urinary t,t-muconic acid, S-phenylmercapturic acid and benzene as biomarkers of low benzene exposure.

    PubMed

    Fustinoni, Silvia; Buratti, Marina; Campo, Laura; Colombi, Antonio; Consonni, Dario; Pesatori, Angela C; Bonzini, Matteo; Farmer, Peter; Garte, Seymour; Valerio, Federico; Merlo, Domenico F; Bertazzi, Pier A

    2005-05-30

    This research compared the capability of urinary trans,trans-muconic acid (t,t-MA), S-phenylmercapturic acid (S-PMA) and benzene excreted in urine (U-benzene) to monitor low benzene exposure and evaluated the influence of smoking habit on these indices. Gasoline attendants, urban policemen, bus drivers and two groups of referents working in two large Italian cities (415 people) were studied. Median benzene exposure was 61, 22, 21, 9 and 6 microg/m3, respectively, with higher levels in workers than in referents. U-benzene, but not t,t-MA and S-PMA, showed an exposure-related increase. All the biomarkers were strongly influenced by cigarette smoking, with values up to five-fold higher in smokers compared to non-smokers. In conclusion, in the range of investigated benzene exposure (<478 microg/m3 or <0.15 ppm), the smoking habit may be regarded as a major source of benzene intake; among the study indices, U-benzene is the marker of choice for the biological monitoring of occupational and environmental exposure.

  15. Triclinic Polymorph of Bis(triphenylsilyl) Oxide Toluene Disolvate

    DTIC Science & Technology

    2012-01-01

    Triclinic polymorph of bis(triphenylsilyl) oxide toluene disolvate Andrew P. Purdy,a* Emily Smoot,a‡ Ray J. Butcherb and Andrew Kerrc aNaval Research... triclinic (P1) instead of possessing the previously reported rhombohedral symmetry [Hönle et al. (1990). Acta Cryst. C46, 1982–1984]. Each of the –SiPh3... structures of related compounds, see: Glidewell & Liles (1978); Morosin & Harrah (1981); Suwińska et al. (1986). For the determination by IR

  16. One-Step Selective Hydroxylation of Benzene to Phenol with Hydrogen Peroxide Catalysed by Copper Complexes Incorporated into Mesoporous Silica-Alumina

    PubMed Central

    Yamada, Mihoko

    2016-01-01

    Benzene was hydroxylated with hydrogen peroxide (H2O2) in the presence of catalytic amounts of copper complexes in acetone to yield phenol at 298 K. At higher temperature, phenol was further hydroxylated with H2O2 by catalysis of copper complexes to yield p-benzoquinone. The kinetic study revealed that the rate was proportional to concentrations of benzene and H2O2, but to the square root of concentration of a copper(II) complex ([Cu(tmpa)]2+: tmpa = tris(2-pyridylmethyl)amine). The addition of a spin trapping reagent resulted in formation of a spin adduct of hydroperoxyl radical (HO2•), as observed by EPR spectroscopy, inhibiting phenol formation. HO2• produced by the reaction of [Cu(tmpa)]2+ with H2O2 acts as a chain carrier for the radical chain reactions for formation of phenol. When [Cu(tmpa)]2+ was incorporated into mesoporous silica-alumina (Al-MCM-41) by a cation exchange reaction, the selectivity to production of phenol was much enhanced by prevention of hydroxylation of phenol, which was not adsorbed to Al-MCM-41. The high durability with turnover number of 4320 for the hydroxylation of benzene to phenol with H2O2 was achieved using [Cu(tmpa)]2+ incorporated into Al-MCM-41 as an efficient and selective catalyst. PMID:27453774

  17. A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systems

    NASA Astrophysics Data System (ADS)

    Bennett, M. Chandler; Kulahlioglu, A. H.; Mitas, L.

    2017-01-01

    We present a study of mono(benzene) TM and bis(benzene) TM systems, where TM = {Mo, W}. We calculate the binding energies by quantum Monte Carlo (QMC) approaches and compare the results with other methods and available experiments. The orbitals for the determinantal part of each trial wave function were generated from several types of DFT functionals in order to optimize for fixed-node errors. We estimate and compare the size of the fixed-node errors for both the Mo and W systems with regard to the electron density and degree of localization in these systems. For the W systems we provide benchmarking results of the binding energies, given that experimental data is not available.

  18. Effect of cellulose/hemicellulose and lignin on the bioavailability of toluene sorbed to waste paper.

    PubMed

    Chen, Ye; Knappe, Detlef R U; Barlaz, Morton A

    2004-07-01

    Paper constitutes about 38% of municipal solid waste, much of which is disposed of in landfills. Sorption to such lignocellulosic materials may limit the bioavailability of organic contaminants in landfills. The objective of this study was to identify the effect of individual biopolymers in paper on toluene sorption and bioavailability by subjecting fresh and anaerobically degraded office paper and newsprint to enzymatic hydrolysis and acid hydrolysis. Enzymatic degradation of cellulose and hemicellulose had no effect on toluene bioavailability. In contrast, acid-insoluble lignin controlled toluene sorption and bioavailability for both fresh and degraded newsprint. Acid-insoluble lignin could explain only 54% of the toluene sorption capacity of degraded office paper however, suggesting that crude protein and/or lipophilic organic matter were also important sorbent phases. Toluene sorbed to degraded office paper was also less bioavailable than toluene sorbed to an equivalent mass of lignin extracted from this sorbent. The latter result suggests that a fraction of toluene sorbed to degraded office paper may have been sequestered by lipophilic organic matter. The sorption and bioavailability data indicate that the preferential decomposition of cellulose and hemicellulose relative to lignin in landfills should not decrease the overall toluene sorption capacity of paperwaste or increase the bioavailability of sorbed toluene.

  19. Degradation of off-gas toluene in continuous pyrite Fenton system.

    PubMed

    Choi, Kyunghoon; Bae, Sungjun; Lee, Woojin

    2014-09-15

    Degradation of off-gas toluene from a toluene reservoir and a soil vapor extraction (SVE) process was investigated in a continuous pyrite Fenton system. The removal of off-gas toluene from the toluene reservoir was >95% by 8h in the pyrite Fenton system, while it was ∼97 % by 3h in classic Fenton system and then rapidly decreased to initial level by 8h. Continuous consumption of low Fe(II) concentration dissolved from pyrite surface (0.05-0.11 mM) was observed in the pyrite Fenton system, which can lead to the effective and successful removal of the gas-phase toluene due to stable production of OH radical (OH). Inhibitor and spectroscopic test results showed that OH was a dominant radical that degraded gas-phase toluene during the reaction. Off-gas toluene from the SVE process was removed by 96% in the pyrite Fenton system, and remnant toluene from rebounding effect was treated by 99%. Main transformation products from toluene oxidation were benzoic acid (31.4%) and CO2 (38.8%) at 4h, while traces of benzyl alcohol (1.3%) and benzaldehyde (0.7%) were observed. Maximum operation time of continuous pyrite Fenton system was estimated to be 56-61 d and its optimal operation time achieving emission standard was 28.9 d.

  20. Removal of toluene vapour using agro-waste as biofilter media.

    PubMed

    Singh, R S; Agnihotri, S S; Upadhyay, S N

    2006-12-01

    Biodegradation of toluene vapour was investigated in a laboratory scale biofilter packed with cylindrical pieces of yellow-gram (Cajanus cajan) stalk. Inlet concentrations and volumetric flow rates of toluene were varied from 2.56 to 34.73 g/m3 and 0.18 to 0.24 m3/h, respectively. The steady state was achieved within seven days and the degradation of toluene followed an exponential behaviour with time. Elimination capacity increased and tended towards a constant value but removal efficiency decreased with increase in inlet toluene loading. Depending upon loading rate, the process was either mass transfer or reaction-controlled.