WorldWideScience

Sample records for benzene derivatives

  1. Thermodynamics of mixtures involving some (benzene derivatives+benzonitrile)

    International Nuclear Information System (INIS)

    Interactions of binary mixtures involving some benzene derivatives (ethylbenzene, o-, m-, p-xylene, isopropylbenzene, 1,2,4-trimethylbenzene, 1,3,5-trimethylbenzene, and methoxybenzene) with benzonitrile were investigated in continuation of our previous studies on binary systems (benzene or toluene+benzonitrile). Heat capacities by volume unit, determined with a Picker flow calorimeter at T=298.15K, and densities, measured by using Picker vibrating densimeters at the temperatures (298.15 and 308.15)K, are reported. Measurements were made over the entire range of mole fraction. From the primary measurements, the corresponding excess quantities VE and Cp,mE are obtained. The magnitude of these experimental quantities together with HE literature data is discussed in terms of the nature and type of intermolecular interactions in binary mixtures

  2. 40 CFR 721.1230 - Benzene, ethenyl-, ar-bromo derivatives.

    Science.gov (United States)

    2010-07-01

    ... removed from a container that has held the substance, unless the container is empty as defined in 40 CFR... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, ethenyl-, ar-bromo... Specific Chemical Substances § 721.1230 Benzene, ethenyl-, ar-bromo derivatives. (a) Chemical substance...

  3. 40 CFR 721.1240 - Benzene, (2-bromoethyl)-, ar-bromo derivatives.

    Science.gov (United States)

    2010-07-01

    ... that has held the substance, unless the container is empty as defined in 40 CFR 261.7(b)(3); any... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, (2-bromoethyl)-, ar-bromo... Specific Chemical Substances § 721.1240 Benzene, (2-bromoethyl)-, ar-bromo derivatives. (a)...

  4. Homolytic iodination and nitration of some benzene derivatives in the gas phase

    International Nuclear Information System (INIS)

    Two gas phase reactions, involving the iodination and nitration of benzene derivatives, are described. The experimental techniques of the apparatus and the methods used are outlined. The kinetic H/D isotope effect in the gas phase nitration of benzene with NO2 is determined. (C.F.)

  5. The Self-Assembly Properties of a Benzene-1,3,5-tricarboxamide Derivative

    Science.gov (United States)

    Stals, Patrick J. M.; Haveman, Jan F.; Palmans, Anja R. A.; Schenning, Albertus P. H. J.

    2009-01-01

    A series of experiments involving the synthesis and characterization of a benzene-1,3,5-tricarboxamide derivative and its self-assembly properties are reported. These laboratory experiments combine organic synthesis, self-assembly, and physical characterization and are designed for upper-level undergraduate students to introduce the topic of…

  6. Discovering Electronic Effects of Substituents in Nitrations of Benzene Derivatives Using GC-MS Analysis

    Science.gov (United States)

    Clennan, Malgorzata M.; Clennan, Edward L.

    2007-01-01

    The nitration of six benzene derivatives having a range of substituents that differ in electronic effects were followed by GC-MS analyses of the crude reaction mixtures and adapted for the second-year organic laboratory. Students pool their results and identify the products by analyzing the mass spectral data of the isomers and by comparing them…

  7. Theoretical study on second-order nonlinear optical properties of unsymmetric bis (phenylethynyl) benzene series derivatives

    Institute of Scientific and Technical Information of China (English)

    FU, Wei; FENG, Ji-Kang; YU, Kun-Qian; REN, Ai-Min; CUI, Meng

    2000-01-01

    On the basis of Z1NDO methods, according to the sum-overstates (SOS) expression, the progran for the calculation of the second-order nonlinear optical susceptibilities βuk and βμ ofmolecules was devised, and the structures and nonlinear optical properties of unsymmetric bis (phenylethynyl) benzene series derivatives were studied. The influence of the molecular conjugated chain lengths, the donor and the acceptor on βμwas examined.

  8. Effects of hydrogeological properties on sea-derived benzene transport in unconfined coastal aquifers.

    Science.gov (United States)

    Li, Wei-Ci; Ni, Chuen-Fa; Tsai, Chia-Hsing; Wei, Yi-Ming

    2016-05-01

    This paper presents numerical investigations on quantifying the hydrodynamic effects of coastal environment factors, including tidal fluctuations, beach slopes, hydraulic conductivity, and hydraulic gradients on sea-derived benzene transport in unconfined coastal aquifers. A hydrologic transport and mixed geochemical kinetic/equilibrium reactions in saturated-unsaturated media model was used to simulate the spatial and temporal behaviors of the density flow and benzene transport for various hydrogeological conditions. Simulation results indicated that the tidal fluctuations lead to upper saline plumes (USPs) near the groundwater and seawater interfaces. Such local circulation zones trapped the seaward benzene plumes and carried them down in aquifers to the depth depending on the tide amplitudes and beach slopes across the coastal lines. Comparisons based on different tidal fluctuations, beach slopes, hydraulic conductivity, and hydraulic gradient were systematically conducted and quantified. The results indicated that areas with USPs increased with the tidal amplitude and decreased with the increasing beach slope. However, the variation of hydraulic conductivity and hydraulic gradient has relatively small influence on the patterns of flow fields in the study. The increase of the USP depths was linearly correlated with the increase of the tidal amplitudes. The benzene reactive transport simulations revealed that the plume migrations are mainly controlled by the local flow dynamics and constrained in the USP circulation zones. The self-cleaning process of a coastal aquifer is time-consuming, typically requiring double the time of the contamination process that the benzene plume reach the bottom of a USP circulation zone. The presented systematic analysis can provide useful information for rapidly evaluating seaward contaminants along a coastal line with available hydrogeological properties. PMID:27106208

  9. Aerosol formation and decomposition of dilute benzene derivatives by AC/DC corona discharge

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, X.; Chen, W.; Zhu, J.; Feng, W.; Yan, K. [Zhejiang Univ., Hangzhou (China). Industrial Ecology and Environment Research Inst.

    2010-07-01

    The most common treatment methods for removing volatile organic compounds (VOCs) include thermal decomposition, catalytic oxidation, carbon adsorption, destruction in non-thermal plasma (NTP) and condensation. Among these technologies, the use of NTP is gaining considerable attention, particularly AC/DC energized corona plasma systems because of their reliable operation, low cost and high efficiency. One of the ideal NTP based processes is to convert VOCs to environmentally sound compounds, such as water. However, since the plasma-initialed reactions are difficult to control, some undesirable products such as aerosols are often observed from VOC removal. The formation of aerosol must therefore be considered in structure-dependent VOC removal characteristics. This study examined the decomposition of three benzene derivatives by novel AC/DC corona discharge with a closed loop flow system in air. The experiments focused primarily on aerosol formation and the individual removal efficiency of benzene, toluene and styrene. The removal process of styrene, benzene and toluene were found to be different from each other because of their different reactivity with radicals. The generated radicals of styrene were efficiently used for the removal process, but the generated radicals of benzene and toluene were mainly quenched by bulk gases. The study showed that a large concentration of aerosols can be generated in humid air. The generated aerosols can be collected by electrostatic precipitation in the AC/DC energized plasma system. It was concluded that the chemical structure is one of most important factors that influence the removal process of VOCs for non-thermal plasma processing. 17 refs., 7 figs.

  10. A Topological Approach to the Correlation of Standard Formation Enthalpy with Path Index of Benzenes Derivatives

    Institute of Scientific and Technical Information of China (English)

    LiLiang-chao; NiCai-hua; LinQiu-yue

    2003-01-01

    A mathematical model formulated as Δf/HmO-,(g) = a+∑5i=1bipi (i≠2) was constructed for the relationship between standard formation enthalpy ΔfHmO (g) and path index P, of substituted benzenes derivatives. An empiric equation for the calculation of ΔfHmO, (g) was worked out. The calculated values of standard formation enthalpy based on this model are excellently consistent with those from experimental for 55 organic compounds. The model is shown to be simple and of practical usefulness, particularly when required experimental data are unavailable.

  11. A Topological Approach to the Correlation of Standard Formation Enthalpy with Path Index of Benzenes Derivatives

    Institute of Scientific and Technical Information of China (English)

    Li Liang-chao; Ni Cai-hua; Lin Qiu-yue

    2003-01-01

    A mathematical model formulated as △fHφm(g)= a + 5∑i=1 bipi (i ≠ 2) was constructed for the relationship between standard formation enthalpy △fH m (g) and path in-dex Pi of substituted benzenes derivatives. An empiric equation for the calculation of △f H0m(g) was worked out. The cal-culated values of standard formation enthalpy based on this model are excellently consistent with those from experimental for 55 organic compounds. The model is shown to be simple and of practical usefulness, particularly when required experimental data are unavailable.

  12. New ionic polyiodo benzene derivatives useful as X-ray contrast media

    International Nuclear Information System (INIS)

    New ionic polyiodo benzene derivatives are described for use as X-ray contrast media. The basic structure of these compounds has two trio-iodo-benzene nuclei and a single carboxylic group; in addition the possible structures of four different R groupings are described in detail. The general process for the preparation of these compounds by reacting an amine with an acid chloride is given. Examples of the preparation of five specific compounds are also described, i.e. (1) 2,4,5-triiodo-3-hydroxymethyl-5-(2,4,6-triiodo-3-N-methylcarbamoyl-5-N-methyl-N-acetylamino-benzoyl)glycylamino-benzoic acid, (2) 2,4,6-triiodo-3-hydroxymethyl-5-(2,4,6-triiodo-3-N-methyl-N-acetylamino-benzoyl)glycylamino-benzoic acid, (3) 2,4,6-triiodo-3-hydroxymethyl-5-(2,4,6-triiodo-3-amino-5-N-methyl-N-acetylamino-benzoyl)glycylamino-benzoic acid, (4) 2,4,6-triiodo-3-hydroxymethyl-5-(2,4,6-triiodo-3-N-methylcarbamoyl-5-N-methyl-N-acetylamino-benzoyl)β-aminopropionyl-amino-benzoic acid and (5) 2,4,6-triiodo-3-hydroxymethyl-5-(2,4,6-triiodo-3-amino-5-N-methylcarbamoyl-benzoyl)glycyl-N-methylamino-benzoic acid. These X-ray contrast media are in the form of aqueous solutions of pharmaceutically acceptable salts. (UK)

  13. Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structure

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Daniel P.; Tymińska, Nina; Zurek, Eva, E-mail: ezurek@buffalo.edu [Department of Chemistry, State University of New York at Buffalo, Buffalo, New York 14260-3000 (United States); Simpson, Scott [Department of Chemistry, State University of New York at Buffalo, Buffalo, New York 14260-3000 (United States); School of Science, Penn State Erie, The Behrend College, 4205 College Drive, Erie, Pennsylvania 16563 (United States)

    2015-03-14

    Dispersion corrected Density Functional Theory calculations were employed to study the adsorption of benzenes derivatized with functional groups encompassing a large region of the activated/deactivated spectrum to the Ag(111) surface. Benzenes substituted with weak activating or deactivating groups, such as methyl and fluoro, do not have a strong preference for adsorbing to a particular site on the substrate, with the corrugations in the potential energy surface being similar to those of benzene. Strong activating (N(CH{sub 3}){sub 2}) and deactivating (NO{sub 2}) groups, on the other hand, possess a distinct site preference. The nitrogen in the former prefers to lie above a silver atom (top site), but in the latter a hollow hexagonal-closed-packed (H{sub hcp}) site of the Ag(111) surface is favored instead. Benzenes derivatized with classic activating groups donate electron density from their highest occupied molecular orbital to the surface, and those functionalized with deactivating groups withdraw electron density from the surface into orbitals that are unoccupied in the gas phase. For benzenes functionalized with two substituents, the groups that are strongly activating or deactivating control the site preference and the other groups assume sites that are, to a large degree, dictated by their positions on the benzene ring. The relative stabilities of the ortho, meta, and para positional isomers of disubstituted benzenes can, in some cases, be modified by adsorption to the surface.

  14. Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structure

    International Nuclear Information System (INIS)

    Dispersion corrected Density Functional Theory calculations were employed to study the adsorption of benzenes derivatized with functional groups encompassing a large region of the activated/deactivated spectrum to the Ag(111) surface. Benzenes substituted with weak activating or deactivating groups, such as methyl and fluoro, do not have a strong preference for adsorbing to a particular site on the substrate, with the corrugations in the potential energy surface being similar to those of benzene. Strong activating (N(CH3)2) and deactivating (NO2) groups, on the other hand, possess a distinct site preference. The nitrogen in the former prefers to lie above a silver atom (top site), but in the latter a hollow hexagonal-closed-packed (Hhcp) site of the Ag(111) surface is favored instead. Benzenes derivatized with classic activating groups donate electron density from their highest occupied molecular orbital to the surface, and those functionalized with deactivating groups withdraw electron density from the surface into orbitals that are unoccupied in the gas phase. For benzenes functionalized with two substituents, the groups that are strongly activating or deactivating control the site preference and the other groups assume sites that are, to a large degree, dictated by their positions on the benzene ring. The relative stabilities of the ortho, meta, and para positional isomers of disubstituted benzenes can, in some cases, be modified by adsorption to the surface

  15. Synthesis, structural study and electrochemical properties of copper(II) complexes derived from benzene- and p-toluenesulphonylhydrazones

    OpenAIRE

    A. REGUIG; M. M. MOSTAFA; L. LARABI; Harek, Y

    2003-01-01

    The synthesis and characterization of benzene- and p-toluenesulphonylhydrazones derived from salicylaldehyde and 2-hydroxy-1-naphthaldehyde and their Cu(II) complexes are reported. The compounds were characterized on the basis of elemental analyses, electronic and IR spectra, magnetic moments, and conductance measurements. The electrochemical behavior of the Cu(II) complexes was investigated in DMSO by cyclic voltammetry (CV), rotating disc electrode (RDE) and coulometry. The oxidative polyme...

  16. Synthesis, characterization and biological evaluation of N-ferrocenylmethyl amino acid benzene carboxamide derivatives and N-ferrocenyl benzoyl amino alkane derivatives as anti-cancer agents.

    OpenAIRE

    Butler, William E.

    2012-01-01

    The aim of this research was to explore the structure-activity relationship (SAR) of ferrocenyl-bioconjugates. A series of N-(ferrocenylmethylamino acid)-fluorinated-benzene carboxamide derivatives and a series of N-(ferrocenyl)-benzoyl-aminoalkane derivatives have been synthesised, structurally characterised and biologically evaluated for their anti-proliferative activity on various cancer cell lines, principally, the (estrogen receptor positive) MCF-7 breast cancer cell line. The anti-c...

  17. Thermal behaviors and grafting process of LDH/benzene derivative hybrid systems

    International Nuclear Information System (INIS)

    Highlights: ► Orientation of the organic entities between the layers of the mineral network. ► Influence of the organics functional group on the stability of the hybrid material. ► Demonstration of three different behaviors in terms of the grafting process. - Abstract: Thermal behaviors of four hybrid layered double hydroxide (LDH) phases have been studied by thermogravimetric analyses coupled with mass spectroscopy, temperature dependence of X-ray powder diffraction measurements, and temperature dependence of infrared spectroscopy measurements. Inorganic zinc–aluminium LDH main layers (with a Zn2+/Al3+ cationic ratio of 2) inserted the following four organic anions: benzene carboxylate, 4-hydroxy-benzene carboxylate, benzene sulfonate and 4-hydroxy-benzene sulfonate. The four LDH hybrids have been synthesized by the coprecipitation method. The as-prepared samples have been characterized and their compositions were determined. Thermal evolution of the crystalline phases during the dehydration (occurring before 200 °C) and the dehydroxylation (occurring between 200 and 300 °C) gave evidence for organic anion grafting onto the inorganic main layer. The thermal stability of the LDH hybrid system depends on the nature of the intercalated aromatic anion. The thermal grafting process can be monitored, as well as its thermal reversibility, by choosing the functionalizations of the benzenic anion and the temperature of the applied heat treatment.

  18. Research on polyfluorene derivatives end-capped by N-hexyl-carbazole and benzene

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Copolymers of 9,9-dioctylfluorene (DOF) and 2-thienyl-benzothiadiazole (DBT) were synthesized by Suzuki reaction and end-capped by N-hexyl-carbazole and benzene, which were abbreviated as PDOF-DBT-Cz and PDOF-DBT-B, respectively. The photophysical, electrochemical and thermal properties of the copolymers were studied. The results indicated that replacement of N-hexyl-carbazole as end-capping group of PDOF-DBT can vary light color and improve luminescence efficiency.

  19. Comparative metabolism of [14C]benzene to excretable products and bioactivation to DNA-binding derivatives in maternal and neonatal mice

    International Nuclear Information System (INIS)

    Lactating adult female mice treated with a single dose of 880 mg/kg i.p. [14C]benzene, and their 2-day-old sucklings similarly treated or nursed by their treated dams were compared in terms of their ability to metabolize benzene to urinary products or reactive intermediates as assessed by covalently-bound benzene derivatives in whole blood or liver DNA. Six metabolite fractions were identified in the urine of sucklings by high performance liquid chromatographic (HPLC) analysis at 5 h following intraperitoneal (direct) treatment with benzene. Three of the metabolite fractions co-chromatographed with authentic phenol, phenyl glucuronide, and muconic acid, and contributed 11, 6.9 and 0.6%, respectively, to the total urinary benzene metabolites. Two of the fractions were unidentified. The sixth and most polar fraction consisted of multiple metabolites, 21% of which were conjugates, and accounted for 72% of the total urinary metabolites. A similar metabolite profile was observed in 24-h urine samples from treated dams with the exception that one of the unidentified fractions in the sucklings was absent and levels of the metabolites were quantitatively higher than those observed in sucklings 5 h following their treatment with benzene. Furthermore, 78% of the most polar fraction from the dams consisted of conjugates compared with 21% of that from the sucklings. The metabolite pattern in urine of sucklings nursed by treated dams was qualitatively similar to, but quantitatively different from the pattern in treated dams. Five hours following intraperitoneal treatment with benzene, covalent binding of the compound to DNA (expressed as pmol benzene equivalents/mg DNA) in sucklings was slightly higher in whole blood (1.15±0.07) than in liver (0.77±0.07), whereas in the dam, it was slightly lower in whole blood (0.88±0.48) than in liver (1.63±0.61). Twenty four hours following benzene exposure in sucklings of benzene-treated dams, DNA binding by the compound in whole blood

  20. KrF-laser-induced fluorescence of benzene and its fluorinated derivatives in the gas phase

    International Nuclear Information System (INIS)

    The fluorescence of C6H6, C6H5F, 1,4-C6H4F2 and C6F6 excited by a KrF laser has been observed in the gas phase. The collisionless lifetime of C6H6 (A1-tildeBsub(2u)) with 2000 to 3000 cm-1 of vibrational energy is 28 ns, which is a factor of two less than earlier results. Self-quenching of benzene leads to redistribution of vibrational energy in the S1 state. C6F6 yields CF2 when irradiated by the laser. (author)

  1. Test of electron beam technology on Savannah River Laboratory low-activity aqueous waste for destruction of benzene, benzene derivatives, and bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Dougal, R.A. [Univ. of South Carolina, Columbia, SC (United States). Dept. of Electrical and Computer Engineering

    1993-08-01

    High energy radiation was studied as a means for destroying hazardous organic chemical wastes. Tests were conducted at bench scale with a {sup 60}Co source, and at full scale (387 l/min) with a 1.5 MV electron beam source. Bench scale tests for both benzene and phenol included 32 permutations of water quality factors. For some water qualities, as much as 99.99% of benzene or 90% of phenol were removed by 775 krads of {sup 60}Co irradiation. Full scale testing for destruction of benzene in a simulated waste-water mix showed loss of 97% of benzene following an 800 krad dose and 88% following a 500 krad dose. At these loss rates, approximately 5 Mrad of electron beam irradiation is required to reduce concentrations from 100 g/l to drinking water quality (5 {mu}g/l). Since many waste streams are also inhabited by bacterial populations which may affect filtering operations, the effect of irradiation on those populations was also studied. {sup 60}Co and electron beam irradiation were both lethal to the bacteria studied at irradiation levels far lower than were necessary to remove organic contaminants.

  2. Test of electron beam technology on Savannah River Laboratory low-activity aqueous waste for destruction of benzene, benzene derivatives, and bacteria

    International Nuclear Information System (INIS)

    High energy radiation was studied as a means for destroying hazardous organic chemical wastes. Tests were conducted at bench scale with a 60Co source, and at full scale (387 l/min) with a 1.5 MV electron beam source. Bench scale tests for both benzene and phenol included 32 permutations of water quality factors. For some water qualities, as much as 99.99% of benzene or 90% of phenol were removed by 775 krads of 60Co irradiation. Full scale testing for destruction of benzene in a simulated waste-water mix showed loss of 97% of benzene following an 800 krad dose and 88% following a 500 krad dose. At these loss rates, approximately 5 Mrad of electron beam irradiation is required to reduce concentrations from 100 g/l to drinking water quality (5 μg/l). Since many waste streams are also inhabited by bacterial populations which may affect filtering operations, the effect of irradiation on those populations was also studied. 60Co and electron beam irradiation were both lethal to the bacteria studied at irradiation levels far lower than were necessary to remove organic contaminants

  3. Building up a QSAR model for toxicity toward Tetrahymena pyriformis by the Monte Carlo method: A case of benzene derivatives.

    Science.gov (United States)

    Toropova, Alla P; Schultz, Terry W; Toropov, Andrey A

    2016-03-01

    Data on toxicity toward Tetrahymena pyriformis is indicator of applicability of a substance in ecologic and pharmaceutical aspects. Quantitative structure-activity relationships (QSARs) between the molecular structure of benzene derivatives and toxicity toward T. pyriformis (expressed as the negative logarithms of the population growth inhibition dose, mmol/L) are established. The available data were randomly distributed three times into the visible training and calibration sets, and invisible validation sets. The statistical characteristics for the validation set are the following: r(2)=0.8179 and s=0.338 (first distribution); r(2)=0.8682 and s=0.341 (second distribution); r(2)=0.8435 and s=0.323 (third distribution). These models are built up using only information on the molecular structure: no data on physicochemical parameters, 3D features of the molecular structure and quantum mechanics descriptors are involved in the modeling process. PMID:26851376

  4. Thermotropic liquid crystalline polyesters derived from bis-(4-hydroxybenzoyloxy)-2-methyl-1,4-benzene and aliphatic dicarboxylic acid chlorides

    Indian Academy of Sciences (India)

    Khudbudin Mulani; Mohasin Momin; Nitin Ganjave; Nayaku Chavan

    2015-09-01

    A series of thermotropic liquid crystalline polyesters derived from bis-(4-hydroxybenzoyloxy)-2-methyl-1,4-benzene (BHBOMB) and aliphatic dicarboxylic acid chlorides were investigated. All these polyesters were synthesized by interfacial polycondensation method and characterized by differential scanning calorimetry and wide-angle X-ray diffractometer. These polyesters consist of BHBOMB as a mesogenic diol and aliphatic diacid chlorides were used as flexible spacers. The length of oligomethylene units in polymer was varied from the trimethylene to the dodecamethylene groups. The transition temperatures and thermodynamic properties were studied for all these polymers. All these polyesters were soluble in chlorinated solvents such as chloroform, dichloromethane, dichloroethane, etc. More importantly, all these polyesters exhibited very large mesophase stability.

  5. Poly(,'-dibromo--ethyl-benzene-1,3-disulphonamide) and ,,','-tetrabromobenzene-1,3-disulphonamide as novel catalysts for synthesis of quinoxaline derivatives

    Indian Academy of Sciences (India)

    Ramin Ghorbani-Vaghei; Somaye Hajinazari

    2013-03-01

    Poly(,'-dibromo--ethyl-benzene-1,3-disulphonamide) [PBBS] and ,,','-tetrabromobenzene-1,3-disulphonamide [TBBDA] were used as efficient catalysts for the synthesis of quinoxaline derivatives in excellent yields from 1,2-diamines and 1,2-dicarbonyls under aqueous and solvent-free conditions.

  6. Theoretical Studies on the One- and Two-Photon Absorption Properties of Double-bis(styryl)benzene Derivatives

    Institute of Scientific and Technical Information of China (English)

    HAN,De-Ming; FENG,Ji-Kang; REN,Ai-Min; SHANG,Xiao-Hong; ZHANG,Xiang-Biao; MA,Yu-Guang; HE,Feng

    2008-01-01

    Two series of bis(styryl)benzene derivatives (BSBD), namely the single-BSBD and the double-BSBD, were investigated. The equilibrium geometries and electronic structures were obtained by using the density functional theory B3LYP and 6-31G basis set. In succession, the one- and two-photon absorption properties of all the molecules were studied theoretically with a ZINDO-SOS (sum-over-states) method in detail. It can be seen that the double-BSBDs have larger two-photon absorption (TPA) cross sections in the visible-IR range than the corresponding single-BSBDs,demonstrating that increasing the molecular dimension is a very effective method to enhance the values of the TPA cross sections. On the other hand, it can be also noticed that the values of the TPA cross sections are correlative with the ability of donating (accepting) electrons of the terminal substituent groups R[N(CH3)2, CH3, H and CF3] in these molecules. That is, the intramolecular charge transfer is also a factor for the enhancement of the TPA efficiency. To sum up, the idea of increasing the molecular dimension to enhance the TPA cross section value is a helpful direction to explore better TPA materials for practical applications. And the double-BSBD molecules are promising TPA materials for the further investigation from the standpoint of the high transparency and the larger TPA cross sections.

  7. A theoretical study on the aromaticity of benzene and related derivatives incorporating a C-C C-C fragment

    Czech Academy of Sciences Publication Activity Database

    Sanchez-Sanz, Goar; Trujillo, Cristina; Rozas, I.; Elguero, J.

    2013-01-01

    Roč. 69, č. 35 (2013), s. 7333-7344. ISSN 0040-4020 Institutional support: RVO:61388963 Keywords : dehydroannulenes * aromaticity * NICS * chemical shifts * benzene Subject RIV: CC - Organic Chemistry Impact factor: 2.817, year: 2013

  8. 40 CFR 721.1225 - Benzene, 1,2-dimethyl-, poly-propene derivatives, sulfonated, po-tas-sium salts.

    Science.gov (United States)

    2010-07-01

    ... releases of the substance are subject to an EPA Significant New Use Rule (SNUR) under 40 CFR part 721 which...) (where N = 25 ppb). The requirement of 40 CFR 721.91(a)(4) that the amount of the substance estimated to... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, 1,2-dimethyl-,...

  9. Benzene dimer: Dynamic structure and thermodynamics derived from on-the-fly ab initio DFT-D molecular dynamic simulations

    Czech Academy of Sciences Publication Activity Database

    Řezáč, Jan; Hobza, Pavel

    2008-01-01

    Roč. 4, č. 11 (2008), s. 1835-1840. ISSN 1549-9618 R&D Projects: GA MŠk LC512; GA AV ČR IAA400550510 Institutional research plan: CEZ:AV0Z40550506 Keywords : benzene dimer * dynamic structure * on-the fly ab initio DFT-D molecular dynamic simulation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.274, year: 2008

  10. Human CYP2E1-dependent and human sulfotransferase 1A1-modulated induction of micronuclei by benzene and its hydroxylated metabolites in Chinese hamster V79-derived cells.

    Science.gov (United States)

    Jiang, Hao; Lai, Yanmei; Hu, Keqi; Wei, Qinzhi; Liu, Yungang

    2014-12-01

    Benzene is a ubiquitous environmental pollutant and a confirmed human carcinogen, which requires metabolic activation, primarily by CYP2E1, for most of its biological actions. Chromosome damages in benzene-exposed workers and rodents have been observed, and in their urine sulfo- and glucuronide-conjugates of phenol and hydroquinone were present. Yet, direct evidence for human CYP2E1-activated mutagenicity of benzene and the exact significance of phase II metabolism for inactivating benzene metabolites are still missing. In the present study, benzene and its oxidized metabolites (phenol, hydroquinone, catechol, 1,2,4-trihydroxybenzene and 1,4-benzoquinone) were investigated for induction of micronuclei in a V79-derived cell line genetically engineered for expression of both human CYP2E1 and human sulfotransferase (SULT) 1A1 (indicated by active micronuclei induction by 1-hydroxymethylpyrene). The results demonstrated concentration-dependent induction of micronuclei by benzene and phenol, though with lower potency or efficacy than the other metabolites. Inhibition of CYP2E1 by 1-aminobenzotriazole did not change the effect of benzoquinone, but completely abolished that of benzene and phenol, and attenuated that of the other compounds. Moreover, inhibition of SULT1A1 by pentachlorophenol potentiated the effects of benzene, hydroquinone, catechol and trihydroxybenzene. Ascorbic acid, a reducing and free radical-scavenging agent, significantly lowered the effects of hydroquinone, catechol, trihydroxybenzene as well as N-nitrosodimethylamine (a known CYP2E1-dependent promutagen), with that of benzoquinone unaffected. These results suggest that in addition to activating benzene and phenol, human CYP2E1 may further convert hydroquinone, catechol and trihydroxybenzene to more genotoxic metabolites, and sulfo-conjugation of the multi-hydroxylated metabolites of benzene by human SULT1A1 may represent an important detoxifying pathway. PMID:25771868

  11. Computational and Experimental Assessment of Benzene Cation Chemistry for the Measurement of Marine Derived Biogenic Volatile Organic Compounds with Chemical Ionization Mass Spectrometry

    Science.gov (United States)

    Zoerb, M.; Kim, M.; Zimmermann, K.; Bertram, T. H.

    2013-12-01

    Chemical ionization mass spectrometry (CIMS) is a highly selective and sensitive technique for the measurement of trace gases in the atmosphere. However, competing side reactions and dependence on relative humidity (RH) can make the transition from the laboratory to the field challenging. Effective implementation of chemical ionization requires a thorough knowledge of the elementary steps leading to ionization of the analyte. We have recently investigated benzene cations for the detection of marine derived biogenic volatile organic compounds (BVOCs), such isoprene and terpene compounds, from algal bloom events. Our experimental results indicate that benzene ion chemistry is an attractive candidate for field measurements, and the RH dependence is weak. To further understand the advantages and limitations of this approach, we have also used electronic structure theory calculations to compliment the experimental work. These theoretical methods can provide valuable insight into the physical chemistry of ion molecule reactions including thermodynamical information, the stability of ions to fragmentation, and potential sources of interference such as dehydration to form isobaric ions. The combined experimental and computational approach also allows validation of the theoretical methods and will provide useful information towards gaining predictive power for the selection of appropriate reagent ions for future experiments.

  12. Development of a shower exposure model for benzene : background work for potential recommended update to the recently derived drinking water guidelines

    International Nuclear Information System (INIS)

    Chloroform exposure was first identified in showers. Shower exposures were then examined for other volatile substances. This presentation discussed the development of a shower exposure model for benzene and included background work for potential recommended updates to the recently derived drinking water guidelines. Specifically, the presentation addressed the relevance for oil and gas sites and the influence on the drinking water guideline. Issues and limitation with Health Canada's Khrisnan model were identified. The advantages of an alternate model development were also presented. Model structure was examined with particular reference to how model exposures are modelled and the risk associated with taking showers with impacted water. Two general types of models were discussed, notably the simple model used to estimate exposures and the integrated physiologically-based pharmacokinetic model. The relevance of the drinking water guideline revision to the petroleum industry was addressed. It was concluded that future water quality guidelines will likely incorporate shower exposures. tabs., figs.

  13. Electrochemical synthesis of N1,N4-diphenyl-2-(phenylsulfonyl)benzene-1,4-diamine derivatives: Introducing an example of ECDispCMich mechanism

    International Nuclear Information System (INIS)

    Highlights: • Electrochemical oxidation of N,N'-dipheny-l,4-phenylenediamine (DPD). • Study on disproportionation reaction of radical cation (DPD.+). • Electrochemical synthesis of N-(4-(phenylimino) cyclohexa-2,5-dienylidene) benzenamine. • Mechanistic study of electrochemical oxidation of N,N'-dipheny-l,4-phenylenediamine in the absence and presence of arylsulfinic acids. - Abstract: The electrochemical oxidation of N,N'-diphenyl-l,4-phenylenediamine (DPD) has been studied using cyclic voltammetry and controlled potential coulometry methods. The results revealed that DPD shows two one-electron oxidation–reduction peaks. In the first step DPD via a single-electron process is converted to the related radical cation (DPD.+) and second step is conversion of DPD.+ to N-(4-(phenylimino) cyclohexa-2,5-dienylidene) benzenamine (CHD) via a one-electron/two-protons process. Our results also show that DPD.+ participates in disproportionation reaction and is converted to DPD and CHD. The rate of this reaction is pH dependent and increases with increasing pH. Furthermore, the electrochemical oxidation of DPD has been studied in the presence of arylsulfinic acids as nucleophiles. The results showed that electrochemically generated CHD participates in Michael addition reaction with arylsulfinic acids via a novel “ECDispCMich” mechanism and is converted to the N1,N4-diphenyl-2-(phenylsulfonyl)benzene-1,4-diamine derivatives. In this work, a facile and green electrochemical method for the synthesis of some new N1,N4-diphenyl-2-(phenylsulfonyl)benzene-1,4-diamine derivatives in good yields using controlled-potential electrolysis at a carbon electrode is also reported

  14. Benzene-derived N2-(4-hydroxyphenyl)-deoxyguanosine adduct: UvrABC incision and its conformation in DNA

    Energy Technology Data Exchange (ETDEWEB)

    Hang, Bo; Rodriguez, Ben; Yang, Yanu; Guliaev, Anton B.; Chenna, Ahmed

    2010-06-14

    Benzene, a ubiquitous human carcinogen, forms DNA adducts through its metabolites such as p-benzoquinone (p-BQ) and hydroquinone (HQ). N(2)-(4-Hydroxyphenyl)-2'-deoxyguanosine (N(2)-4-HOPh-dG) is the principal adduct identified in vivo by (32)P-postlabeling in cells or animals treated with p-BQ or HQ. To study its effect on repair specificity and replication fidelity, we recently synthesized defined oligonucleotides containing a site-specific adduct using phosphoramidite chemistry. We here report the repair of this adduct by Escherichia coli UvrABC complex, which performs the initial damage recognition and incision steps in the nucleotide excision repair (NER) pathway. We first showed that the p-BQ-treated plasmid was efficiently cleaved by the complex, indicating the formation of DNA lesions that are substrates for NER. Using a 40-mer substrate, we found that UvrABC incises the DNA strand containing N(2)-4-HOPh-dG in a dose- and time-dependent manner. The specificity of such repair was also compared with that of DNA glycosylases and damage-specific endonucleases of E. coli, both of which were found to have no detectable activity toward N(2)-4-HOPh-dG. To understand why this adduct is specifically recognized and processed by UvrABC, molecular modeling studies were performed. Analysis of molecular dynamics trajectories showed that stable G:C-like hydrogen bonding patterns of all three Watson-Crick hydrogen bonds are present within the N(2)-4-HOPh-G:C base pair, with the hydroxyphenyl ring at an almost planar position. In addition, N(2)-4-HOPh-dG has a tendency to form more stable stacking interactions than a normal G in B-type DNA. These conformational properties may be critical in differential recognition of this adduct by specific repair enzymes.

  15. Effect of repeated benzene inhalation exposures on benzene metabolism, binding to hemoglobin, and induction of micronuclei

    International Nuclear Information System (INIS)

    Metabolism of benzene is thought to be necessary to produce the toxic effects, including carcinogenicity, associated with benzene exposure. To extrapolate from the results of rodent studies to potential health risks in man, one must know how benzene metabolism is affected by species, dose, dose rate, and repeated versus single exposures. The purpose of our studies was to determine the effect of repeated inhalation exposures on the metabolism of [14C]benzene by rodents. Benzene metabolism was assessed by characterizing and quantitating urinary metabolites, and by quantitating 14C bound to hemoglobin and micronuclei induction. F344/N rats and B6C3F1 mice were exposed, nose-only, to 600 ppm benzene or to air (control) for 6 hr/day, 5 days/week for 3 weeks. On the last day, both benzene-pretreated and control animals were exposed to 600 ppm, 14C-labeled benzene for 6 hr. Individual benzene metabolites in urine collected for 24 hr after the exposure were analyzed. There was a significant decrease in the respiratory rate of mice (but not rats) pretreated with benzene which resulted in lower levels of urinary [14C]benzene metabolites. The analyses indicated that the only effects of benzene pretreatment on the metabolite profile in rat or mouse urine were a slight shift from glucuronidation to sulfation in mice and a shift from sulfation to glucuronidation in rats. Benzene pretreatment also had no effect, in either species, on formation of [14C]benzene-derived hemoglobin adducts. Mice and rats had similar levels of hemoglobin adduct binding, despite the higher metabolism of benzene by mice. This indicates that hemoglobin adduct formation occurs with higher efficiency in rats. After 1 week of exposure to 600 ppm benzene, the frequency of micronucleated, polychromatic erythrocytes (PCEs) in mice was significantly increased

  16. Functionalization of Carboxylated Multi-Wall Nanotubes with Derivatives of N1-(11H-Indeno[1,2-b]quinoxalin-11-ylidene)benzene-1,4-diamine

    OpenAIRE

    Javad Azizian; Shahab Zomorodbakhsh; Mahdieh Entezari; Hossein Anaraki-Ardakani

    2013-01-01

    Quinoxaline derivatives are compounds with pharmaceutical applications. In this study, derivatives of N1-(11H-indeno[1,2-b]quinoxalin-11-ylidene)benzene-1,4-diamine were synthesized and attached to carboxylated multi-wall nanotubes (MWNT–COOH). Functionalized carbon nanotubes were characterized by scanning electron microscopy (SEM) to study the shape of structures, transmission electron microscopy (TEM), fast Fourier transform infrared (FT-IR), Raman spectroscopy, and elemental analysis.

  17. A statistical study of the correlation between k` or log k` and log P{sub OW} for a group of benzene and naphthalene derivatives in micellar liquid chromatography using a C-18 column

    Energy Technology Data Exchange (ETDEWEB)

    Marina, M.L. [Dept. de Quimica Analitica, Facultad de Ciencias, Univ. de Alcala de Henares (Spain); Garcia, M.A. [Dept. de Quimica Analitica, Facultad de Ciencias, Univ. de Alcala de Henares (Spain); Pastor, M. [Dept. de Quimica Organica, Facultad de Farmacia, Univ. de Alcala de Henares (Spain); Vera, S. [Dept. de Quimica Analitica, Facultad de Ciencias, Univ. de Alcala de Henares (Spain)

    1995-02-01

    It is shown that the logarithm of the capacity factor (log k`) for fifteen benzene and naphthalene derivatives in micellar liquid chromatogrphy with forty nine different mobile phases generally correlates better with the logarithm of the octanol-water partition coefficient (log P{sub ow}) than the capacity factor (k`). Optimum conditions are established to obtain the best linear correlations of log k`-log P{sub ow}. (orig.)

  18. A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicals.

    Science.gov (United States)

    Fratev, Filip; Benfenati, Emilio

    2008-09-01

    A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID methods was applied as a tool to study and predict the mechanism of action of 100 carcinogenic benzene derivatives. Two 3D-QSAR models were obtained: (i) model of mouse carcinogenicity on the basis of 100 chemicals (model 1) and (ii) model of the differences in mouse and rat carcinogenicity on the basis of 73 compounds (model 2). 3D-QSAR regression maps indicated the important differences in species carcinogenicity, and the molecular positions associated with them. In order to evaluate the role of P450 metabolic process in carcinogenicity, the following approaches were used. The 3D models of CYP2E1 for mouse and rat were built up. A docking study was applied and the important ligand-protein residues interactions and oxidation positions of the molecules were identified. A new approach for quantitative assessment of metabolism pathways was developed, which enabled us to describe the species differences in CYP2E1 metabolism, and how it can be related to differences in the carcinogenic potential for a subset of compounds. The binding energies of the important substituents (local-binding energy-LBE) were calculated, in order to quantitatively demonstrate the contribution of the substituents in metabolic processes. Furthermore, a computational procedure was used for determining energetically favourable binding sites (GRID examination) of the enzymes. The GRID procedure allowed the identification of some important differences, related to species metabolism in CYP2E1. Comparing GRID, 3D-QSAR maps and LBE results, a similarity was identified, indicating a relationship between P450 metabolic processes and the differences in the carcinogenicity. PMID:18495507

  19. Benzene from Traffic

    DEFF Research Database (Denmark)

    Palmgren, F.; Berkowicz, R.; Skov, H.;

    The measurements of benzene showed very clear decreasing trends in the air concentrations and the emissions since 1994. At the same time the measurements of CO and NOx also showed a decreasing trend, but not so strong as for benzene. The general decreasing trend is explained by the increasing...... number of petrol vehicles with three way catalysts, 60-70% in 1999. The very steep decreasing trend for benzene at the beginning of the period from 1994 was explained by the combination of more catalyst vehicles and reduced benzene content in Danish petrol. The total amount of aromatics in petrol......, including toluene, increased only weakly. The analyses of air concentrations were confirmed by analyses of petrol sold in Denmark. The concentration of benzene at Jagtvej in Copenhagen is still in 1998 above the expected new EU limit value, 5 µg/m3 as annual average. However, the reduced content of benzene...

  20. Hexahalogenated and their mixed benzene derivatives as prototypes for the understanding of halogen···halogen intramolecular interactions: New insights from combined DFT, QTAIM-, and RDG-based NCI analyses.

    Science.gov (United States)

    Varadwaj, Pradeep R; Varadwaj, Arpita; Jin, Bih-Yaw

    2015-12-01

    A large number of fully halogenated benzene derivatives containing the fluorine, chlorine, bromine, and iodine atoms have been experimentally synthesized both as single- and co-crystals (e.g., Desiraju et al., Chem. Eur. J. 2006, 12, 2222), yet the natures of the halogen ··· halogen interactions between the vicinal halogens in these compounds within the intramolecular domain are undisclosed. Given a fundamental understanding of these interactions is incredibly important in many areas of chemical, biological, supramolecular, and material sciences, we present here our newly discovered theoretical results that delineate whilst the nature of an F···F interaction in a pair of two adjacent fluorine atoms in either of the hexafluorobenzene and 1,4-dibromotetrafluorobenzene compounds examined is almost unclear, each of the latter three hexahalogenated benzene derivatives (viz., C6 Cl6 , C6 Br6 , and C6 I6 ), and each of the seven of their fully mixed hexahalogenated benzene analogues, are found to be stabilized by means of a number of halogen···halogen interactions, each a form of long-range attraction within the intramolecular domain. The Molecular Electrostatic Surface Potential model was found to be unsurprisingly unsuitable in unraveling any of the aforesaid attractions between the halogen atoms. However, such interactions successfully enunciated by a set of noncovalent interaction descriptors of geometrical, topological, and electrostatic origins. These latter properties were extracted combining the results of the Density Functional Theory electronic structure calculations with those revealed from Atoms in Molecules, and Reduced Density Gradient charge density-based topological calculations, and are expounded in detail to formalize the conclusions. © 2015 Wiley Periodicals, Inc. PMID:26505258

  1. Densities and Kinematic Viscosities for the Systems Benzene + Methyl Formate, Benzene + Ethyl Formate, Benzene + Propyl Formate, and Benzene + Butyl Formate

    DEFF Research Database (Denmark)

    Emmerling, Uwe; Rasmussen, Peter

    1998-01-01

    Densities and kinematic viscosities have been measured for the system benzene + methyl formate at 20°C and for the systems benzene + ethyl formate, benzene + propyl formate, and benzene + butyl formate from 20°C to 50°C. The results for the system benzene + methyl formate have been correlated using...... a Redlich-Kister type of expression with temperature-independent parameters and the data for the systems benzene + ethyl formate, benzene + propyl formate, and benzene + butyl formate with temperature-dependent parameters. The viscosities have furthermore been compared to values predicted by means...

  2. Synthesis and Antimicrobial Activity of Schiff’s and N-Mannich Bases of Isatin and Its Derivatives with 4-Amino-N-Carbamimidoyl Benzene Sulfonamide

    Directory of Open Access Journals (Sweden)

    U. K. Singh

    2010-04-01

    Full Text Available Isatin and substituted Isatin were reacted with 4-amino-N-carbamimidoyl benzene sulfonamide to form a series of Schiff’s bases. The Mannich bases of these compounds were synthesized by reacting them with formaldehyde and secondary amine (piperidine. All the compounds were characterized by means of their IR, 1H NMR spectroscopic data and elemental analysis. The antimicrobial activity of the synthesized compounds was evaluated by tube dilution method. The synthesized compounds showed better antibacterial activity than the reference drugs.

  3. Ionic Liquid Catalyst Used in Deep Desulfuration of the Coking Benzene for Producing Sulfurless Benzene

    Institute of Scientific and Technical Information of China (English)

    ZHOU Xia-Ping; WANG Yan-Liang; MENG Fan-Wei; FAN Xing-Ming; QIN Song-Bo

    2008-01-01

    For the widening need of benzene used in organic synthesis, ionic liquid catalyst was prepared to study the process of deep desulfuration in the coking benzene. The result shows that the effect of de-thiophene by the ionic liquid catalyst (N-methyl imidazolium hydrogen sulfate [Hmim][HSO4]) is related to its acid function value.Hammett indicator was used to determine the acid function value H0 of the ionic liquid. It can be concluded that while the acid function value is in the range from -4 to -12, the ionic liquid catalyst can make the concentration certain acid quantity and strength, the ionic liquid catalyst helps to form alkyl thiophene through Friedel-Crafts reaction, which differs from the character of benzene and it is absolutely necessary for the separation and refinement of benzene. But overabundant quantity and higher acid value of [Hmim][HSO4] are more suitable for the side copolymerization of benzene, thiophene and alkene, thereby affecting repeated use of the ionic liquid catalyst([Hmim][HSO4]). In our research, thiophene derivant produced by desulfurization in the coking benzene was used as the polymer to provide the passing channel of the charges. The ionic liquid composition in poor performance after repeated use was made to prepare conductive material (resisting to static electricity) as an "electron-receiving" and "electron-giving" doping agent. The result shows that thiophene derivant after desulfuration in the coking benzene can be used to prepare doping conductive materials.

  4. Rich surface Co(iii) ions-enhanced Co nanocatalyst benzene/toluene oxidation performance derived from Co(II)Co(III) layered double hydroxide.

    Science.gov (United States)

    Mo, Shengpeng; Li, Shuangde; Li, Jiaqi; Deng, Yuzhou; Peng, Shengpan; Chen, Jiayuan; Chen, Yunfa

    2016-08-25

    A hierarchical CoCo layered double hydroxide (LDH) nanostructure was constructed through a facile topochemical transformation route under a dynamic oxygen atmosphere. Self-assembled coral-like CoAl LDH nanostructures via the homogeneous precipitation method were also inspected under different ammonia-releasing reagents and solvents. Benzene and toluene were chosen as probe molecules to evaluate their catalytic performance over the metal oxide CoCoO and CoAlO calcined from their corresponding LDH precursors. Nanocatalyst of trivalent Co ions replaced Al(3+) ions in the bruited-like layer had a higher catalytic activity (T99(benzene) = 210 °C and T99(toluene) = 220 °C at a space velocity = 60 000 mL g(-1) h(-1)). Raman spectroscopy, XPS and H2-TPR demonstrated the existence of abundant high valence Co ions that serve as active sites. TPD verified the types of active oxygen species and surface acid properties. It was concluded that the high valence Co ions induced excellent low-temperature reducibility. Surface Lewis acid sites and the surface Oads/Olatt molar ratio (0.61) played relevant roles in determining its catalytic oxidation performance. Our design in this work provides a promising approach for the development of nanocatalysts with exposed desirable defects. PMID:27531821

  5. Benzene release. Status report

    International Nuclear Information System (INIS)

    Scoping benzene release measurements were conducted on 4 wt percent KTPB 'DEMO' formulation slurry using a round, flat bottomed 100-mL flask containing 75 mL slurry. The slurry was agitated with a magnetic stirrer bar to keep the surface refreshed without creating a vortex. Benzene release measurements were made by purging the vapor space at a constant rate and analyzing for benzene by gas chromatography with automatic data acquisition. Some of the data have been rounded or simplified in view of the scoping nature of this study

  6. Facts about Benzene

    Science.gov (United States)

    ... Lab Info Chemical Emergencies A–Z Abrin Adamsite Ammonia Arsenic Arsine Barium Benzene Brevetoxin Bromine BZ Carbon ... used to make some types of lubricants, rubbers, dyes, detergents, drugs, and pesticides. How you could be ...

  7. Benzene Monitor System report

    Energy Technology Data Exchange (ETDEWEB)

    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).

  8. Extraction of Several Divalent Metal Picrates by 18-Crown-6 Ether Derivatives into Benzene: A Refinement of Methods for Analyzing Extraction Equilibria

    OpenAIRE

    Yoshihiro Kudo; Yuu Takahashi; Shoichi Katsuta; Yasuyuki Takeda

    2013-01-01

    Three kinds of extraction constants, Kex, Kex±, and Kex+, were evaluated from the improved model that the following three component-equilibria were added to a previously-proposed model for an overall extraction: M2+ + A-===MA+, MLA+Bz + A-Bz===MLA2,Bz, and A-===A-Bz. Here, Kex, Kex±, and Kex+ were defined as [MLA2]Bz/([M2+][L]Bz[A-]2), [MLA+]Bz[A-]Bz/([M2+][L]Bz[A-]2), and [MLA+]Bz/([M2+][L]Bz[A-]), respectively; the subscript “Bz” denotes benzene as an organic phase. The symbols correspond t...

  9. Dehydrogenation of benzene on Pt(111) surface

    Science.gov (United States)

    Gao, W.; Zheng, W. T.; Jiang, Q.

    2008-10-01

    The dehydrogenation of benzene on Pt(111) surface is studied by ab initio density functional theory. The minimum energy pathways for benzene dehydrogenation are found with the nudge elastic band method including several factors of the associated barriers, reactive energies, intermediates, and transient states. The results show that there are two possible parallel minimum energy pathways on the Pt(111) surface. Moreover, the tilting angle of the H atom in benzene can be taken as an index for the actual barrier of dehydrogenation. In addition, the properties of dehydrogenation radicals on the Pt(111) surface are explored through their adsorption energy, adsorption geometry, and electronic structure on the surface. The vibrational frequencies of the dehydrogenation radicals derived from the calculations are in agreement with literature data.

  10. A one-pot catalyst-free synthesis of functionalized pyrrolo[1,2-a]quinoxaline derivatives from benzene-1,2-diamine, acetylenedicarboxylates and ethyl bromopyruvate

    OpenAIRE

    Piltan, Mohammad; Moradi, Loghman; Abasi, Golaleh; Zarei, Seyed Amir

    2013-01-01

    The catalyst-free multicomponent reaction of 1,2-diaminobenzene, dialkyl acetylenedicarboxylates, and ethyl bromopyruvate forms pyrrolo[1,2-a]quinoxaline derivatives in good yields. Ethylenediamine also reacts under similar conditions to produce new pyrrolo[1,2-a]pyrazine derivatives.

  11. A one-pot catalyst-free synthesis of functionalized pyrrolo[1,2-a]quinoxaline derivatives from benzene-1,2-diamine, acetylenedicarboxylates and ethyl bromopyruvate.

    Science.gov (United States)

    Piltan, Mohammad; Moradi, Loghman; Abasi, Golaleh; Zarei, Seyed Amir

    2013-01-01

    The catalyst-free multicomponent reaction of 1,2-diaminobenzene, dialkyl acetylenedicarboxylates, and ethyl bromopyruvate forms pyrrolo[1,2-a]quinoxaline derivatives in good yields. Ethylenediamine also reacts under similar conditions to produce new pyrrolo[1,2-a]pyrazine derivatives. PMID:23616791

  12. A one-pot catalyst-free synthesis of functionalized pyrrolo[1,2-a]quinoxaline derivatives from benzene-1,2-diamine, acetylenedicarboxylates and ethyl bromopyruvate

    Directory of Open Access Journals (Sweden)

    Mohammad Piltan

    2013-03-01

    Full Text Available The catalyst-free multicomponent reaction of 1,2-diaminobenzene, dialkyl acetylenedicarboxylates, and ethyl bromopyruvate forms pyrrolo[1,2-a]quinoxaline derivatives in good yields. Ethylenediamine also reacts under similar conditions to produce new pyrrolo[1,2-a]pyrazine derivatives.

  13. Phase II metabolism of benzene.

    OpenAIRE

    Schrenk, D.; Orzechowski, A.; Schwarz, L R; Snyder, R.; Burchell, B; Ingelman-Sundberg, M; K. W. DE BOCK

    1996-01-01

    The hepatic metabolism of benzene is thought to be a prerequisite for its bony marrow toxicity. However, the complete pattern of benzene metabolites formed in the liver and their role in bone marrow toxicity are not fully understood. Therefore, benzene metabolism was studied in isolated rodent hepatocytes. Rat hepatocytes released benzene-1,2-dihydrodiol, hydroquinone (HQ), catechol (CT), phenol (PH), trans-trans-muconic acid, and a number of phase II metabolites such as PH sulfate and PH glu...

  14. Economical benzene emission reduction

    International Nuclear Information System (INIS)

    Benzene has been classified as a toxic compound under the Canadian Environmental Protection Act. This has prompted the Alberta Energy and Utilities Board (AEUB) to introduce specific reporting and monitoring guidelines for the oil and gas industry regarding excessive benzene emissions. Glycol dehydration units have been determined to be the major single source of benzene emissions causing air and soil pollution. DualTank Corp. has designed a condensation and storage tank unit to enhance emission reduction, odour elimination and liquid recovery from dehydration units. Their newly designed combined tank unit consists of a large, uninsulated surface area for cooling, and an excessive internal volume for increased retention time. The first prototype was installed in December 1998 at an Enerplus Resources Site. The system provides excellent benzene emission reduction and the elimination of odours and visual plumes. Effective January 1, 1999, the petroleum and natural gas industry must either clean up excessive emissions voluntarily or face government imposed regulations, facility shutdowns and/or fines. 1 fig

  15. The excited state antiaromatic benzene ring: a molecular Mr Hyde?

    Science.gov (United States)

    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. PMID:25960203

  16. Extraction of Sodium Picrate by 3m-Crown-m Ethers and Their Monobenzo Derivatives (m = 5, 6 into Benzene: Estimation of Their Equilibrium-Potential Differences at the Less-Polar Diluent/Water Interface by an Extraction Method

    Directory of Open Access Journals (Sweden)

    Yoshihiro Kudo

    2016-01-01

    Full Text Available Individual distribution constants (KD,A of picrate ion (Pic− and extraction constants (Kex± of NaPic by some crown ethers (L into benzene (Bz at 25°C were calculated from data reported previously. These constants were defined as KD,Pic=Pic-o/[Pic-] and Kex±=NaL+oPic-o/(Na+Lo[Pic-], respectively. Here, the subscript “o” denotes an organic (o phase and practically o = Bz. 15-Crown-5 ether (15C5, 18-crown-6 one (18C6, and their monobenzo (B derivatives (B15C5 and B18C6 were selected as L. Interfacial equilibrium-potential differences (Δϕeq at extraction were estimated at 298 K. A plot of log⁡Kex± versus -Δϕeq for the four L extraction systems gave a straight line with slope = 84 V−1. This slope was compared with those, reported before, of the dichloromethane (DCM, 1,2-dichloroethane (DCE, and nitrobenzene (NB extraction systems. The slopes of the regression lines were in the order NB < DCM ≤ DCE < Bz. Also, the individual distribution constants of the complex ion NaL+ and an ion-pair complex (NaL+Pic- into Bz phase were calculated from the above extraction data. At least, a comparison between these values suggests that Bz molecules mainly interact with NaL+ moiety of NaL+Pic-.

  17. Benzene vapor recovery and processing

    International Nuclear Information System (INIS)

    The National Emissions Standards for Hazardous Air Pollutants, or NESHAPs, have provided a powerful motivation for interest in, and attention to, benzene vapor emissions in recent times. Benzene and its related aromatics are volatile organic compounds (VOCs), which marks them for surveillance as potential contributors to air pollution. In addition, benzene is a suspected carcinogen, which applies a special urgency to its control. The regulations governing the control of benzene emissions were issued as Title 40, Code of Federal Regulations, Part 61, subpart Y (Storage Vessels); subpart BB (Transfer Operations); and subpart FF (Waste Operations). These regulations specify very particular emission reduction guidelines for various generating sources. The problem in the hydrocarbon processing industry is to identify significant sources of benzene vapors in plants, and then to collect and process these vapors in an environmentally acceptable manner. This paper discusses various methods for collecting benzene fumes in these facilities

  18. Benzene exposures in urban areas

    International Nuclear Information System (INIS)

    Benzene exposures in urban areas were reviewed. Available data confirm that both in USA and Europe, benzene concentrations measured by fixed outdoor monitoring stations underestimate personal exposures of urban residents. Indoor sources, passive smoke and the high exposures during commuting time may explain this difference. Measures in European towns confirm that very frequently mean daily personal exposures to benzene exceed 10 μg/m3, current European air quality guideline for this carcinogenic compound

  19. Biomarkers of environmental benzene exposure.

    OpenAIRE

    Weisel, C; Yu, R; Roy, A; Georgopoulos, P.

    1996-01-01

    Environmental exposures to benzene result in increases in body burden that are reflected in various biomarkers of exposure, including benzene in exhaled breath, benzene in blood and urinary trans-trans-muconic acid and S-phenylmercapturic acid. A review of the literature indicates that these biomarkers can be used to distinguish populations with different levels of exposure (such as smokers from nonsmokers and occupationally exposed from environmentally exposed populations) and to determine d...

  20. Modulation of mast cell and basophil functions by benzene metabolites.

    Science.gov (United States)

    Triggiani, Massimo; Loffredo, Stefania; Granata, Francescopaolo; Staiano, Rosaria I; Marone, Gianni

    2011-11-01

    Benzene is a carcinogenic compound used in industrial manufacturing and a common environmental pollutant mostly derived from vehicle emissions and cigarette smoke. Benzene exposure is associated with a variety of clinical conditions ranging from hematologic diseases to chronic lung disorders. Beside its direct toxicity, benzene exerts multiple effects after being converted to reactive metabolites such as hydroquinone and benzoquinone. Mast cells and basophils are primary effector cells involved in the development of respiratory allergies such as rhinitis and bronchial asthma and they play an important role in innate immunity. Benzene and its metabolites can influence mast cell and basophil responses either directly or by interfering with other cells, such as T cells, macrophages and monocytes, which are functionally connected to mast cells and basophils. Hydroquinone and benzoquinone inhibit the release of preformed mediators, leukotriene synthesis and cytokine production in human basophils stimulated by IgE- and non IgE-mediated agonists. Furthermore, these metabolites reduce IgE-mediated degranulation of mast cells and the development of allergic lung inflammation in rats. Both in vitro and in vivo studies indicate that benzene metabolites alter biochemical and functional activities of other immunocompetent cells and may impair immune responses in the lung. These inhibitory effects of benzene metabolites are primarily mediated by interference with early transduction signals such as PI3 kinase. Together, currently available studies indicate that benzene metabolites interfere by multiple mechanisms with the role of basophils and mast cells in innate immunity and in chronic inflammation in the lung. PMID:22103854

  1. Benzene hemoglobin adducts in mice and rats: Characterization of formation and physiological modeling

    International Nuclear Information System (INIS)

    Benzene is a myelotoxin and a human leukemogen. Humans are exposed to this compound, both occupationally and environmentally. This study was conducted to determine whether formation of benzene-derived adducts with blood hemoglobin (Hb) can be used as a biomarker of exposure to benzene. B6C3F1 mice and F344/N rats were given 0.1 to 10,000 mumol [14C]benzene/kg body wt, orally. Twenty-four hours later, animals were euthanized, and globin was isolated from blood samples. The globin was analyzed by liquid scintillation spectrometry for the presence of [14C]benzene-derived adducts. Hb adduct formation was linear with respect to dose for amounts of up to 500 mumol [14C]benzene/kg body wt, for both rodent species. Within this linear dose-response range, mice formed adducts from [14C]benzene approximately 3.5 times less efficiently [0.022 +/- 0.010 (pmol adducts/mg globin)/(mumol/kg body wt dose)] than did rats [0.076 +/- 0.014 (pmol adducts)/(mumol/kg body wt dose)]. Benzene-derived Hb adducts also accumulated linearly when mice and rats were given up to three daily doses of 500 mumol [14C]benzene/kg body wt. These data were used to develop a physiological model for benzene-derived Hb adduct formation. Both first-order and saturable pathways for adduct formation were incorporated. The results showed that the model simulated the levels of Hb adducts in both mice and rats after oral exposures to benzene and predicted the levels of Hb adducts present after inhalation exposure. These studies suggest that Hb adducts might be useful biomarkers for human exposures to benzene

  2. Counterintuitive interaction of anions with benzene derivatives

    Science.gov (United States)

    Quiñonero, David; Garau, Carolina; Frontera, Antonio; Ballester, Pau; Costa, Antonio; Deyà, Pere M.

    2002-06-01

    Ab initio calculations were carried out on complexes between 1,3,5-trinitrobenzene (TNB) and anions, where the anion is positioned over the ring along the C3 axis. This study combines crystallographic and computational evidences to demonstrate an attractive interaction between the anion and the π-cloud of TNB. This interaction is rationalized based on the important role of the quadrupole moment of TNB and the anion-induced polarization. In addition, this study has been extended to 1,3,5-trifluorobenzene (TFB), which possesses a very small quadrupole moment. As a result, minimum energy complexes have been found between TFB and both anions and cations due to the stabilization obtained from the ion-induced polarization.

  3. 2H NMR study of dynamics of benzene-d6 interacting with humic and fulvic acids.

    Science.gov (United States)

    Eastman, Margaret A; Brothers, Lucinda A; Nanny, Mark A

    2011-05-01

    Samples of three humic acids and one fulvic acid with 1% loading of benzene-d(6) in sealed glass tubes have been studied with solid-state deuterium quadrupole-echo nuclear magnetic resonance spectroscopy. Calculated spectra combining three motional models, two isotropic models and a third more restricted small-angle wobble (SAW) motional model, are fit to the experimental spectra. One isotropic motion (ISO(v)) is assigned to vaporous benzene-d(6) due to the small line width, short T(1), and the loss of this component by about -25 °C when the temperature is lowered. The remaining two motional components, ISO(s) and SAW, are sorbed by the humic or fulvic acid. Benzene-d(6) slowly interacts with the humic substances, progressively filling SAW sites as ISO(s) motion diminishes. Both the sorption and increase in percentage of SAW motion are for the most part complete within 200 days but continue to a lesser extent over a period of a few years. For the SAW motion there are at least two and most likely a series of T(1) values, indicating more than one adsorption environment. Enthalpies of sorption, obtained from application of the van't Hoff equation to the percentages of the different motional models derived from a series of variable temperature spectra, are comparable in magnitude to the enthalpy of vaporization of benzene. In Leonardite humic acid, ΔH and ΔS for the ISO(s) to SAW transition change from positive to negative values with age, implying a transition in the driving force from an entropic effect associated with expansion and deformation in the molecular structure of the humic substance to accommodate benzene-d(6) to an enthalpic effect of strong benzene-d(6)-humic substance interactions. In contrast, at advanced ages, Suwannee River humic and fulvic acids have small positive or near zero ΔH and positive ΔS for the ISO(s) to SAW transition. PMID:21456559

  4. Anaerobic degradation of benzene by enriched consortia with humic acids as terminal electron acceptors

    International Nuclear Information System (INIS)

    Highlights: → Enriched consortia were able to couple the anaerobic degradation of benzene to the reduction of humic acids. → Electron-equivalents derived from anaerobic benzene oxidation were highly recovered as reduced humic acids. → Several species from classes β-, δ- and γ-Proteobacteria were enriched during the anaerobic degradation of benzene. - Abstract: The anaerobic degradation of benzene coupled to the reduction of humic acids (HA) was demonstrated in two enriched consortia. Both inocula were able to oxidize benzene under strict anaerobic conditions when the humic model compound, anthraquinone-2,6-disulfonate (AQDS), was supplied as terminal electron acceptor. An enrichment culture originated from a contaminated soil was also able to oxidize benzene linked to the reduction of highly purified soil humic acids (HPSHA). In HPSHA-amended cultures, 9.3 μM of benzene were degraded, which corresponds to 279 ± 27 micro-electron equivalents (μEq) L-1, linked to the reduction of 619 ± 81 μEq L-1 of HPSHA. Neither anaerobic benzene oxidation nor reduction of HPSHA occurred in sterilized controls. Anaerobic benzene oxidation did not occur in soil incubations lacking HPSHA. Furthermore, negligible reduction of HPSHA occurred in the absence of benzene. The enrichment culture derived from this soil was dominated by two γ-Proteobacteria phylotypes. A benzene-degrading AQDS-reducing enrichment originated from a sediment sample showed the prevalence of different species from classes β-, δ- and γ-Proteobacteria. The present study provides clear quantitative demonstration of anaerobic degradation of benzene coupled to the reduction of HA.

  5. Anaerobic degradation of benzene by enriched consortia with humic acids as terminal electron acceptors

    Energy Technology Data Exchange (ETDEWEB)

    Cervantes, Francisco J., E-mail: fjcervantes@ipicyt.edu.mx [Division de Ciencias Ambientales, Instituto Potosino de Investigacion Cientifica y Tecnologica (IPICyT), Camino a la Presa San Jose 2055, Col. Lomas 4a. Seccion, San Luis Potosi, SLP, 78216 Mexico (Mexico); Mancilla, Ana Rosa; Toro, E. Emilia Rios-del [Division de Ciencias Ambientales, Instituto Potosino de Investigacion Cientifica y Tecnologica (IPICyT), Camino a la Presa San Jose 2055, Col. Lomas 4a. Seccion, San Luis Potosi, SLP, 78216 Mexico (Mexico); Alpuche-Solis, Angel G.; Montoya-Lorenzana, Lilia [Division de Biologia Molecular, Instituto Potosino de Investigacion Cientifica y Tecnologica (IPICyT), Camino a la Presa San Jose 2055, Col. Lomas 4a. Seccion, San Luis Potosi, SLP, 78216 Mexico (Mexico)

    2011-11-15

    Highlights: {yields} Enriched consortia were able to couple the anaerobic degradation of benzene to the reduction of humic acids. {yields} Electron-equivalents derived from anaerobic benzene oxidation were highly recovered as reduced humic acids. {yields} Several species from classes {beta}-, {delta}- and {gamma}-Proteobacteria were enriched during the anaerobic degradation of benzene. - Abstract: The anaerobic degradation of benzene coupled to the reduction of humic acids (HA) was demonstrated in two enriched consortia. Both inocula were able to oxidize benzene under strict anaerobic conditions when the humic model compound, anthraquinone-2,6-disulfonate (AQDS), was supplied as terminal electron acceptor. An enrichment culture originated from a contaminated soil was also able to oxidize benzene linked to the reduction of highly purified soil humic acids (HPSHA). In HPSHA-amended cultures, 9.3 {mu}M of benzene were degraded, which corresponds to 279 {+-} 27 micro-electron equivalents ({mu}Eq) L{sup -1}, linked to the reduction of 619 {+-} 81 {mu}Eq L{sup -1} of HPSHA. Neither anaerobic benzene oxidation nor reduction of HPSHA occurred in sterilized controls. Anaerobic benzene oxidation did not occur in soil incubations lacking HPSHA. Furthermore, negligible reduction of HPSHA occurred in the absence of benzene. The enrichment culture derived from this soil was dominated by two {gamma}-Proteobacteria phylotypes. A benzene-degrading AQDS-reducing enrichment originated from a sediment sample showed the prevalence of different species from classes {beta}-, {delta}- and {gamma}-Proteobacteria. The present study provides clear quantitative demonstration of anaerobic degradation of benzene coupled to the reduction of HA.

  6. Benzene oxygenation and oxidation by the peroxygenase of Agrocybe aegerita.

    Science.gov (United States)

    Karich, Alexander; Kluge, Martin; Ullrich, René; Hofrichter, Martin

    2013-01-01

    Aromatic peroxygenase (APO) is an extracellular enzyme produced by the agaric basidiomycete Agrocybe aegerita that catalyzes diverse peroxide-dependent oxyfunctionalization reactions. Here we describe the oxygenation of the unactivated aromatic ring of benzene with hydrogen peroxide as co-substrate. The optimum pH of the reaction was around 7 and it proceeded via an initial epoxide intermediate that re-aromatized in aqueous solution to form phenol. Identity of the epoxide intermediate as benzene oxide was proved by a freshly prepared authentic standard using GC-MS and LC-MS analyses. Second and third [per]oxygenation was also observed and resulted in the formation of further hydroxylation and following [per]oxidation products: hydroquinone and p-benzoquinone, catechol and o-benzoquinone as well as 1,2,4-trihydroxybenzene and hydroxy-p-benzoquinone, respectively. Using H218O2 as co-substrate and ascorbic acid as radical scavenger, inhibiting the formation of peroxidation products (e.g., p-benzoquinone), the origin of the oxygen atom incorporated into benzene or phenol was proved to be the peroxide. Apparent enzyme kinetic constants (kcat, Km) for the peroxygenation of benzene were estimated to be around 8 s-1 and 3.6 mM. These results raise the possibility that peroxygenases may be useful for enzymatic syntheses of hydroxylated benzene derivatives under mild conditions. PMID:23327645

  7. Species differences in the metabolism of benzene.

    OpenAIRE

    Henderson, R F

    1996-01-01

    The pathways of metabolism of benzene appear to be qualitatively similar in all species studied thus far. However, there are quantitative differences in the fraction of benzene metabolized by the different pathways. These species differences become important for risk assessments based on animal data. Mice have a greater overall capacity to metabolize benzene than rats or primates, based on mass balance studies conducted in vivo using radiolabled benzene. Mice and monkeys metabolize more of th...

  8. 27 CFR 21.97 - Benzene.

    Science.gov (United States)

    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...

  9. Species differences in the metabolism of benzene

    Energy Technology Data Exchange (ETDEWEB)

    Henderson, R.F. [Inhalation Toxicology Research Institute, Albuquerque, NM (United States)

    1996-12-01

    The pathways of metabolism of benzene appear to be qualitatively similar in all species studied thus far. However, there are quantitative differences in the fraction of benzene metabolized by the different pathways. These species differences become important for risk assessments based on animal data. Mice have a greater overall capacity to metabolize benzene than rats or primates, based on mass balance studies conducted in vivo using radiolabled benzene. Mice and monkeys metabolize more of the benzene to hydroquinone metabolites than do rats or chimpanzees, especially at low doses. Nonhuman primates metabolize less of the benzene to muconic acid than do rodents or humans. In all species studied, a greater proportion of benzene is converted to hydroquinone and ring-breakage metabolites at low doses than at high doses. This finding should be considered in attempting to extrapolate the toxicity of benzene observed at high doses to predicted toxicity at low doses. Because ring-breakage metabolites and hydroquinone have both been implicated in the toxicity of benzene, the higher formation of those metabolites in the mouse may partially explain why mice are more sensitive to benzene than are rats. Metabolism of benzene in humans, the species of interest, does not exactly mimic that of any animal species studied. More information on the urinary and blood metabolites of occupationally exposed people is required to determine the fractional conversion of benzene to putative toxic metabolites and the degree of variability present in human subjects. 12 refs., 4 tabs.

  10. 46 CFR 151.05-2 - Compliance with requirements for tank barges carrying benzene and benzene containing cargoes, or...

    Science.gov (United States)

    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...

  11. Is It Homogeneous or Heterogeneous Catalysis Derived from [RhCp*Cl2]2? In Operando-XAFS, Kinetic and Crucial Kinetic Poisoning Evidence for Subnanometer Rh4 Cluster-Based Benzene Hydrogenation Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Bayram, Ercan; Linehan, John C.; Fulton, John L.; Roberts, John A.; Szymczak, Nathaniel; Smurthwaite, Tricia D.; Ozkar, Saim; Balasubramanian, Mahalingam; Finke, Richard G.

    2011-11-23

    Determining the true, kinetically dominant catalytically active species, in the classic benzene hydrogenation system pioneered by Maitlis and co-workers 34 years ago starting with [RhCp*Cl2]2 (Cp* = [{eta}5-C5(CH3)5]), has proven to be one of the most challenging case studies in the quest to distinguish single-metal-based 'homogeneous' from polymetallic, 'heterogeneous' catalysis. The reason, this study will show, is the previous failure to use the proper combination of (i) operando spectroscopy to determine the dominant form(s) of the precatalyst's mass under catalysis (i.e., operating) conditions, plus then and crucially also (ii) the previous lack of the necessary kinetic studies, catalysis being a 'wholly kinetic phenomenon' as J. Halpern long ago noted. An important contribution from this study will be to reveal the power of quantitiative kinetic poisoning experiments for distinguishing single-metal, or in this case subnanometer Rh4 cluster-based catalysis from larger, polymetallic Rh(0)n nanoparticle catalysis, at least under favorable conditions. The combined operando-XAFS (X-ray absorption fine structure) spectroscopy and kinetic evidences provide a compelling case for Rh4-based, with average stoichiometry 'Rh4Cp*2.4Cl4Hc', benzene hydrogenation catalysis in 2-propanol with added Et3N and at 100 C and 50 atm initial H2 pressure. The results also reveal, however, that if even ca. 1.4% of the total soluble Rh(0)n had formed nanoparticles, then those Rh(0)n nanoparticles would have been able to account for all the observed benzene hydrogenation catalytic rate (using commercial, ca. 2 nm, polyethyleneglycol-dodecylether hydrosol stabilized Rh(0)n nanoparticles as a model system). The results 'especially the poisoning methodology developed and employed' are of significant, broader interest since determining the nature of the true catalyst continues to be a central, often vexing issue in any and all catalytic

  12. Double photoionization of halogenated benzene

    International Nuclear Information System (INIS)

    We have experimentally investigated the double-photoionization process in C6BrF5 using monochromatized synchrotron radiation. We compare our results with previously published data for partially deuterated benzene (C6H3D3) 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

  13. Double photoionization of halogenated benzene

    Energy Technology Data Exchange (ETDEWEB)

    AlKhaldi, Mashaal Q. [Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstr. 36, D-10623 Berlin (Germany); Wehlitz, Ralf, E-mail: rwehlitz@gmail.com [Synchrotron Radiation Center, University of Wisconsin–Madison, Stoughton, Wisconsin 53589 (United States)

    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.

  14. Slow Neutron Scattering by Benzene

    International Nuclear Information System (INIS)

    We have calculated the scattering of slow neutrons by the benzene molecule. The calculations are carried out within the framework of the time dependent formalism of Zemach and Glauber. Detailed account is taken of the effects of the molecular vibrations on the neutron scattering. Among the results explicitly calculated are the slow neutron total scattering cross-section as a function of energy and the energy angular distribution of singly scattered sections. (author)

  15. Electrochemical behaviour of benzene on platinum electrodes

    OpenAIRE

    Montilla Jiménez, Francisco; Huerta Arráez, Francisco; Morallón Núñez, Emilia; Vázquez Picó, José Luis

    1999-01-01

    The adsorption and oxidation of benzene in acidic media on platinum electrodes (polycrystalline and single-crystal electrodes) have been studied by cyclic voltammetry and in-situ Fourier transform infrared spectroscopy. The oxidation characteristics of benzene depend on the surface structure of the platinum electrode used. In all platinum electrodes studied, the main reduction product of benzene is cyclohexane, and the oxidation products detected by infrared spectroscopy have been CO2 and ben...

  16. Natural Biological Attenuation of Benzene in Groundwater

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Benzene has been found in subsurface unsaturated soil and groundwater beneath a petro-chemical plant. Although the groundwater contained several mg/L of benzene in the area immediately beneath the source, benzene was not detected in monitoring wells approximately 800m down stream. All kinds of physical processes such as adsorption and advection/dispersion are considered to account for the observed attenuation. The results indicated that the attenuation was primarily due to natural biological processes occurring within the aquifer. The evidence for the natural bioremediation of benzene from the groundwater included: (1) analysis of groundwater chemistry, (2) laboratory studies demonstrating benzene biodegradation in aquifer samples, and (3) computer simulations examining benzene transport. Laboratory experiments indicated that for conditions similar to those in the plume, the aerobic degradation of benzene by the naturally occurring microorganisms in the polluted groundwater samples was quite rapid with a half-life time of from 5 to 15 days. In situ analyses indicated the level of dissolved oxygen in the groundwater was over 2mg/L. Thus, oxygen should not limit the biodegradation. In fact, the benzene was also shown to degrade under anaerobic conditions. The results from the modeling simulations indicate that biodegradation is the dominant process influencing attenuation of the benzene.

  17. Albumin Adducts of Electrophilic Benzene Metabolites in Benzene-Exposed and Control Workers

    OpenAIRE

    Lin, Yu-Sheng; Vermeulen, Roel; Tsai, Chin H.; Waidyanatha, Suramya; Lan, Qing; Rothman, Nathaniel; Smith, Martyn T.; Zhang, Luoping; Shen, Min; Li, Guilan; Yin, Songnian; Kim, Sungkyoon; Rappaport, Stephen M.

    2006-01-01

    Background Metabolism of benzene produces reactive electrophiles, including benzene oxide (BO), 1,4-benzoquinone (1,4-BQ), and 1,2-benzoquinone (1,2-BQ), that are capable of reacting with blood proteins to produce adducts. Objectives The main purpose of this study was to characterize relationships between levels of albumin adducts of these electrophiles in blood and the corresponding benzene exposures in benzene-exposed and control workers, after adjusting for important covariates. Because se...

  18. Mechanistic considerations in benzene physiological model development

    Energy Technology Data Exchange (ETDEWEB)

    Medinsky, M.A.; Kenyon, E.M.; Seaton, M.J.; Schlosser, P.M. [Chemical Industry Institute of Toxicology, Research Triangle Park, NC (United States)

    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.

  19. A one-pot catalyst-free synthesis of functionalized pyrrolo[1,2-a]quinoxaline derivatives from benzene-1,2-diamine, acetylenedicarboxylates and ethyl bromopyruvate

    OpenAIRE

    Mohammad Piltan; Loghman Moradi; Golaleh Abasi; Seyed Amir Zarei

    2013-01-01

    The catalyst-free multicomponent reaction of 1,2-diaminobenzene, dialkyl acetylenedicarboxylates, and ethyl bromopyruvate forms pyrrolo[1,2-a]quinoxaline derivatives in good yields. Ethylenediamine also reacts under similar conditions to produce new pyrrolo[1,2-a]pyrazine derivatives.

  20. 46 CFR 30.25-3 - Benzene.

    Science.gov (United States)

    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...

  1. 46 CFR 151.50-60 - Benzene.

    Science.gov (United States)

    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. 29 CFR 1926.1128 - Benzene.

    Science.gov (United States)

    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....

  3. 29 CFR 1915.1028 - Benzene.

    Science.gov (United States)

    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...

  4. Bio sensing Benzene in the refinery

    International Nuclear Information System (INIS)

    A biosensor based on Pseudomonas putida cells was utilized for Benzene analysis in air of an oil refinery. Biosensoristic approach was compared to gaschromatografic essay. We also developed bio sensing Benzene genetically modified Escherichia coli and tested them with refinery samples. Microbial biosensor were useful to determine air pollution.

  5. Molecular dynamics simulation of benzene

    Science.gov (United States)

    Trumpakaj, Zygmunt; Linde, Bogumił B. J.

    2016-03-01

    Intermolecular potentials and a few models of intermolecular interaction in liquid benzene are tested by Molecular Dynamics (MD) simulations. The repulsive part of the Lennard-Jones 12-6 (LJ 12-6) potential is too hard, which yields incorrect results. The exp-6 potential with a too hard repulsive term is also often used. Therefore, we took an expa-6 potential with a small Gaussian correction plus electrostatic interactions. This allows to modify the curvature of the potential. The MD simulations are carried out in the temperature range 280-352 K under normal pressure and at experimental density. The Rayleigh scattering of depolarized light is used for comparison. The results of MD simulations are comparable with the experimental values.

  6. Interphase cytogenetics of workers exposed to benzene

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, L.; Wang, Yunxia; Venkatesh, P. [Univ. of California, Berkeley, CA (United States)] [and others

    1996-12-01

    Fluorescence in situ hybridization (FISH) is a powerful new technique that allows numerical chromosome aberrations (aneuploidy) to be detected in interphase cells. In previous studies, FISH has been used to demonstrate that the benzene metabolites hydroquinone and 1,2,4-benzenetriol induce aneuploidy of chromosomes 7 and 9 in cultures of human cells. In the present study, we used an interphase FISH procedure to perform cytogenetic analyses on the blood cells of 43 workers exposed to benzene (median=31 ppm, 8-hr time-weighted average) and 44 matched controls from Shanghai, China. High benzene exposure (>31 ppm, n=22) increased the hyperdiploid frequency of chromosome 9 (p<0.01), but lower exposure (<31 ppm, n=21) did not. Trisomy 9 was the major form of benzene-induced hyperdiploidy. The level of hyperdiploidy in exposed workers correlated with their urinary phenol level (r= 0.58, p < 0.0001), a measure of internal benzene close. A significant correlation was also found between hyperdiploicly and decreased absolute lymphocyte count, an indicator of benzene hematotoxicity, in the exposed group (r=-0.44, p=0.003) but not in controls (r=-0.09, P=0.58). These results show that high benzene exposure induces aneuploidy of chromosome 9 in nondiseased individuals, with trisomy being the most prevalent form. They further highlight the usefulness of interphase cytogenetics and FISH for the rapid and sensitive detection of aneuploidy in exposed human populations. 35 refs., 3 figs., 2 tabs.

  7. Excited state of protonated benzene and toluene

    International Nuclear Information System (INIS)

    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)

  8. Four component catalysis for the hydroalkylation of benzene to cyclohexyl benzene

    Energy Technology Data Exchange (ETDEWEB)

    Fahy, J.; Trimm, D.L. [School of Chemical Engineering and Industrial Chemistry, University of New South Wales, NSW 2052 Sydney (Australia); Cookson, D.J. [BHP Melbourne Research Laboratories, Vic. Melbourne (Australia)

    2001-04-13

    Patent claims that benzene can be hydroalkylated to form cyclohexyl benzene - a potential diesel fuel - over a four component catalyst have been verified, and the role of the individual components has been explored. The hydrogenation of benzene over nickel on zeolite 13X produced reasonably high (ca. 30%) yields of cyclohexane, but the product distribution favoured cyclohexyl benzene in the presence of rare earth ions. The addition of small (ca. 1%) of platinum produced good yields and selectivities to cyclohexyl benzene at ca. 450K, a performance which was matched only at ca. 670K in the absence of platinum. Temperature programmed studies showed that Pt promoted the low temperature reduction of the catalyst to produce better performance. The acidic 13X molecular sieve promoted alkylation, but acidity was not the only factor involved. Rare earth additions were suggested to induce electron transfer to the nickel, weakening adsorption of benzene and promoting hydroalkylation rather than hydrogenation.

  9. 46 CFR 197.565 - Notifying personnel of benzene hazards.

    Science.gov (United States)

    2010-10-01

    ... appendices A and B of this subpart or a MSDS on benzene meeting the requirements of 29 CFR 1910.1200(g) is... 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....

  10. Recommended sublimation pressure and enthalpy of benzene

    International Nuclear Information System (INIS)

    Highlights: • Sublimation pressures of benzene were measured. • Benzene thermodynamic properties in the state of ideal gas were calculated. • Recommended sublimation pressure and enthalpy of benzene were developed. -- Abstract: Recommended vapor pressures of solid benzene (CAS Registry Number: 71-43-2) which are consistent with thermodynamically related crystalline and ideal-gas heat capacities as well as with properties of the liquid phase at the triple point temperature (vapor pressure, enthalpy of vaporization) were established. The recommended data were developed by a multi-property simultaneous correlation of vapor pressures and related thermal data. Vapor pressures measured in this work using the static method in the temperature range from 233 K to 260 K, covering pressure range from 99 Pa to 1230 Pa, were included in the simultaneous correlation. The enthalpy of sublimation was established with uncertainty significantly lower than the previously recommended values

  11. Reactions of 1,4-bis(tetrazole)benzenes: formation of long chain alkyl halides

    OpenAIRE

    Kelleher, Fintan; Bond, Andrew; Fleming, Adrienne; McGinley, John; Prajapati, Vipa

    2006-01-01

    The reactions of 1,4-bis[2-(tributylstannyl)tetrazol-5-yl]benzene with α,ω-dibromoalkanes were carried out in order to synthesise pendant alkyl halide derivatives of the parent bis-tetrazole. This led to the formation of several alkyl halide derivatives, substituted variously at N1 or N2 on the tetrazole ring. The crystal structures of 1,4-bis[(2-(4-bromobutyl)tetrazol-5-yl)]benzene (2-N,2-N′), 1,4-bis[(2-(4-bromobutyl)tetrazol-5-yl)]benzene (1-N,2-N′) and 1,4-bis[(2-(8-bromooctyl)tetra...

  12. Radiolysis of Aqueous Benzene Solutions

    International Nuclear Information System (INIS)

    Aerated and deaerated aqueous solutions of benzene have been irradiated with 60Co γ-rays. The products of radiolysis in deaerated, unbuffered or acid, solutions were phenol, biphenyl, hydrogen and in acid solutions also hydrogen peroxide with the following yields: G(phenol) = 0. 37 (0. 37), G(biphenyl) = 1.3 (1.7), G(H2) = 0.44 (0. 43) and G(H2O2) = 0 (0.60), the figures in brackets giving the results for acid solutions. The results are shown to agree with the conclusion that k(e-aq + H2O2) >> k(H + H2O2). Furthermore, the results indicate that a competition takes place between the reactions: 2 C6H6OH · -> dimer -> biphenyl. C6H7 · + C6H6OH · -> dimer -> biphenyl. The yields in aerated, unbuffered or acid, solutions were: G(phenol) = 2.1 (2.3), G(biphenyl) = 0 (0), and G(H2O2) = 2.2 (3.1), the figures in brackets being valid for acid solutions. The ratio k(H + C6H6)/k(H + O2) was 1.4x10-2. The results indicate that peroxides, or more probably hydroperoxides, take part in the reactions. After the addition of Fe2+ or Fe3+ to aerated acid solutions G(phenol) was increased to 6.6 and 3.4 respectively. Oxygen was consumed more rapidly in the presence of Fe. Reaction mechanisms are discussed

  13. Interaction of two functional groups through the benzene ring: Theory and experiment

    Czech Academy of Sciences Publication Activity Database

    Böhm, S.; Exner, Otto

    2009-01-01

    Roč. 30, č. 7 (2009), s. 1069-1074. ISSN 0192-8651 Institutional research plan: CEZ:AV0Z40550506 Keywords : B3LYP * benzene derivatives * enthalpy of formation * resonance Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.769, year: 2009

  14. Comparison of hematological alterations and markers of B-cell activation in workers exposed to benzene, formaldehyde and trichloroethylene.

    Science.gov (United States)

    Bassig, Bryan A; Zhang, Luoping; Vermeulen, Roel; Tang, Xiaojiang; Li, Guilan; Hu, Wei; Guo, Weihong; Purdue, Mark P; Yin, Songnian; Rappaport, Stephen M; Shen, Min; Ji, Zhiying; Qiu, Chuangyi; Ge, Yichen; Hosgood, H Dean; Reiss, Boris; Wu, Banghua; Xie, Yuxuan; Li, Laiyu; Yue, Fei; Freeman, Laura E Beane; Blair, Aaron; Hayes, Richard B; Huang, Hanlin; Smith, Martyn T; Rothman, Nathaniel; Lan, Qing

    2016-07-01

    Benzene, formaldehyde (FA) and trichloroethylene (TCE) are ubiquitous chemicals in workplaces and the general environment. Benzene is an established myeloid leukemogen and probable lymphomagen. FA is classified as a myeloid leukemogen but has not been associated with non-Hodgkin lymphoma (NHL), whereas TCE has been associated with NHL but not myeloid leukemia. Epidemiologic associations between FA and myeloid leukemia, and between benzene, TCE and NHL are, however, still debated. Previously, we showed that these chemicals are associated with hematotoxicity in cross-sectional studies of factory workers in China, which included extensive personal monitoring and biological sample collection. Here, we compare and contrast patterns of hematotoxicity, monosomy 7 in myeloid progenitor cells (MPCs), and B-cell activation biomarkers across these studies to further evaluate possible mechanisms of action and consistency of effects with observed hematologic cancer risks. Workers exposed to benzene or FA, but not TCE, showed declines in cell types derived from MPCs, including granulocytes and platelets. Alterations in lymphoid cell types, including B cells and CD4+ T cells, and B-cell activation markers were apparent in workers exposed to benzene or TCE. Given that alterations in myeloid and lymphoid cell types are associated with hematological malignancies, our data provide biologic insight into the epidemiological evidence linking benzene and FA exposure with myeloid leukemia risk, and TCE and benzene exposure with NHL risk. PMID:27207665

  15. Benzene and lead exposure assessment among occupational bus drivers in Bangkok traffic

    Institute of Scientific and Technical Information of China (English)

    SHING TET LEONG; PREECHA LAORTANAKUL

    2004-01-01

    Four environmental and biological monitoring sites were strategically established to evaluate benzene and lead exposure assessment at various traffic zones of Bangkok Metropolitan Region(BMR). Biological measurement of 48 non air-conditioned, male bus drivers was carried to study the relationship between individual exposure levels and exposure biomarkers. The study group was further subdivided into four age groups( 16-25, 26-35, 36-45 and 46-55 years old) to monitor the age-related exposure effects. A total of 12unexposed persons were deliberately chosen as the control group. Measurement of unmetobolized benzene in blood and analysis of urinary tt-Muconic acid urine and urinary creatinine are recommended as biomarkers of benzene exposure. Measurement of lead in blood and urine is also recommended for the biological monitoring of lead exposure.During the monitoring period, benzene and lead levels at Yaowarat Road was C6H6: 42.46 + 3.88 μg/m3 , Pb: 0.29 + 0.03 μg/m3 and decreased to C6 H6: 33.5 ± 1.35 μg/m3 , Pb: O. 13 + 0.01 μg/m3 at Phahonyothin Road. Significant difference was established between the nonsmoking exposed group and nonsmoking control group for blood benzene concentrations ( P < 0.001, two-tailed, Mann-Whiteney U test). Strong correlations were also found between trans-trans-Muconic acid concentrations in post shift samples and atmospheric benzene concentrations. Similarly, good correlation between all of biomarkers and lead level in air is established from automobile emissions.The analysis revealed that among the occupational population in the urban sites, the driver groups were found to have the highest risk of benzene and lead exposures derived from automobile emission.

  16. Benzene and lead exposure assessment among occupational bus drivers in Bangkok traffic.

    Science.gov (United States)

    Muttamara, S; Leong, Shing Tet; Arayasiri, M

    2004-01-01

    Four environmental and biological monitoring sites were strategically established to evaluate benzene and lead exposure assessment at various traffic zones of Bangkok Metropolitan Region(BMR). Biological measurement of 48 non air-conditioned, male bus drivers was carried to study the relationship between individual exposure levels and exposure biomarkers. The study group was further subdivided into four age groups(16-25, 26-35, 36-45 and 46-55 years old) to monitor the age-related exposure effects. A total of 12 unexposed persons were deliberately chosen as the control group. Measurement of unmetobolized benzene in blood and analysis of urinary tt-Muconic acid urine and urinary creatinine are recommended as biomarkers of benzene exposure. Measurement of lead in blood and urine is also recommended for the biological monitoring of lead exposure. During the monitoring period, benzene and lead levels at Yaowarat Road was C6H6: 42.46 +/- 3.88 microg/m3 , Pb: 0.29 +/- 0.03 microg/m3 and decreased to C6H6: 33.5 +/- 1.35 microg/m3, Pb: 0.13 +/- 0.01 microg/m3 at Phahonyothin Road. Significant difference was established between the nonsmoking exposed group and nonsmoking control group for blood benzene concentrations (P < 0.001, two-tailed, Mann-Whiteney U test). Strong correlations were also found between trans-trans-Muconic acid concentrations in post shift samples and atmospheric benzene concentrations. Similarly, good correlation between all of biomarkers and lead level in air is established from automobile emissions. The analysis revealed that among the occupational population in the urban sites, the driver groups were found to have the highest risk of benzene and lead exposures derived from automobile emission. PMID:14971454

  17. Feynman path integral - ab initio investigation of the excited-state properties of benzene

    International Nuclear Information System (INIS)

    The Feynman path integral Monte Carlo formalism has been combined with an ab initio configuration interaction scheme to study the excited singlet states of benzene under consideration of the nuclear degrees of freedom. Transition energies and oscillator strengths, which have been evaluated as ensemble averages over large sets of nuclear configurations, are correlated with single-configuration results derived for the D6h minimum of benzene. The quantum fluctuations of the benzene nuclei cause a strong redistribution of transition intensities. Transitions which are dipole allowed in the rigid D6h geometry of C6H6 lose intensity due to vibronic coupling; vice versa for transitions which are dipole forbidden in the D6h case. (author)

  18. The pyrolysis of toluene and ethyl benzene

    Science.gov (United States)

    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).

  19. Recommended sublimation pressure and enthalpy of benzene

    Czech Academy of Sciences Publication Activity Database

    Růžička, K.; Fulem, Michal; Červinka, C.

    2014-01-01

    Roč. 68, Jan (2014), s. 40-47. ISSN 0021-9614 Institutional support: RVO:68378271 Keywords : benzene * vapor pressure * heat capacity * ideal-gas thermodynamic properties * sublimation enthalpy * recommended vapor pressure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.679, year: 2014

  20. 46 CFR 153.1060 - Benzene.

    Science.gov (United States)

    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...

  1. Formation of Benzene in the Interstellar Medium

    Science.gov (United States)

    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.

  2. Contrastive Analysis of the Raman Spectra of Polychlorinated Benzene: Hexachlorobenzene and Benzene

    Directory of Open Access Journals (Sweden)

    Zhengjun Zhang

    2011-12-01

    Full Text Available 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.

  3. 40 CFR 721.1350 - Benzene, (1-methylethyl)(2-phenylethyl)-.

    Science.gov (United States)

    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,...

  4. 40 CFR 721.1210 - Benzene, (2-chloroethoxy)-.

    Science.gov (United States)

    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...

  5. 40 CFR 721.1187 - Bis(imidoethylene) benzene.

    Science.gov (United States)

    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...

  6. Thermodynamic investigation of the binary system of ethanol + benzene

    International Nuclear Information System (INIS)

    The molar heat capacity of the binary system ethanol + benzene was measured by an adiabatic calorimeter in the temperature range from 80 to 320 K. The glass transition and phase transitions of the mixture were determined based on the curve of the heat capacity with respect to temperature. The glass transition occurred at 97.536 K, the enthalpy and entropy of the glass transition were calculated to be 1.796 kJ mol-1, 18.414 J mol-1 K-1, respectively. The phase transitions took place in temperature ranges 115.875-128.400, 146.778-159.015 and 256.645-274.981 K corresponding to the solid-solid phase transition of ethanol, solid-liquid phase transition of ethanol and solid-liquid phase transition of benzene, respectively. The corresponding enthalpies and entropies of the phase transition were calculated to be -1.266 kJ mol-1, -10.745 J K-1 mol-1; 2.166 kJ mol-1, 13.818 J K-1 mol-1; 5.390 kJ mol-1, 19.856 J K-1 mol-1, respectively. The thermodynamic functions and the excess thermodynamic functions of the mixture relative to standard temperature 298.15 K were derived based on the relationships of the thermodynamic functions and the function of the measured heat capacity with respect to temperature

  7. Solvent isotope effect on viscosity of polystyrene-benzene solutions

    International Nuclear Information System (INIS)

    The concentration and temperature dependencies of viscosity and density of solutions of nearly monodisperse samples (Mw/Mn w) ranging from 4x103 to 4x105 between 293-313 K. Isotope H/D substitution in benzene causes visible changes in viscosity and density of solutions, however, its influence on intrinsic viscosities and Huggins constants, derived from the concentration dependences of viscosity, is negligible. No isotope effects on the exponents in the power low relationship have been detected. The viscosities of the solutions have been also correlated with the densities. The apparent close-packed volumes are practically constant for all solutions and seem to be determined by the properties of the solvent. The deuterium substitution visibly affects the close-packed volumes - they decrease by approximately 13%, both in pure solvent and in solutions. (author)

  8. Formation of reactive metabolites from benzene

    International Nuclear Information System (INIS)

    Rat liver mitoplasts were incubated first with [3H]dGTP, to form DNA labeled in G, and then with [14C]benzene. The DNA was isolated and upon isopycnic density gradient centrifugation in CsCl yielded a single fraction of DNA labeled with both [3H] and [14C]. These data are consistent with the covalent binding of one or more metabolites of benzene to DNA. The DNA was enzymatically hydrolyzed to deoxynucleosides and chromatographed to reveal at least seven deoxyguanosine adducts. Further studies with labeled deoxyadenine revealed one adduct on deoxyadenine. [3H]Deoxyguanosine was reacted with [14C]hydroquinone or benzoquinone. The product was characterized using uv, fluorescence, mass and NMR spectroscopy. A proposed structure is described. (orig.)

  9. Nonlinear diffusion in Acetone-Benzene Solution

    CERN Document Server

    Obukhovsky, Vjacheslav V

    2010-01-01

    The nonlinear diffusion in multicomponent liquids under chemical reactions influence has been studied. The theory is applied to the analysis of mass transfer in a solution of acetone-benzene. It has been shown, that the creation of molecular complexes should be taken into account for the explanation of the experimental data on concentration dependence of diffusion coefficients. The matrix of mutual diffusivities has been found and effective parameters of the system have been computed.

  10. Accumulation of chlorinated benzenes in earthworms

    Energy Technology Data Exchange (ETDEWEB)

    Beyer, W.N. [Patuxent Wildlife Research Center, Laurel, MD (United States)

    1996-12-31

    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. They probably entered the water as leachates from chemical waste dumps and as effluents from manufacturing. Hexachlorobenzene and pentachlorobenzene are commonly present in Herring gull (Larus argentatus) eggs from the Great Lakes, and some of the isomers of trichlorobenzene and tetrachlorobenzene are occasionally detected at low concentrations. Hexachlorobenzene, which was formerly used as a fungicide, has been the most thoroughly studied chlorinated benzene, and has been detected in many species. Its use as a fungicide in the United States was canceled in 1984. Since about 1975 hexachlorobenzene has been formed mainly in the production of chlorinated solvents. It is highly persistent in the environment and some species are poisoned by hexachlorobenzene at very low chronic dietary exposures. As little as 1 ppm in the diet of mink (Mustela vison) reduced the birth weights of young, and 5 ppm in the diet of Japanese quail (Coturnix coturnix japonica) caused slight liver damage. This paper describes a long-term (26 wk) experiment relating the concentrations of chlorinated benzenes in earthworms to length of exposure and three 8 wk experiments relating concentration to the concentration in soil the soil organic matter content, and the degree of chlorination. 20 refs., 3 figs., 1 tab.

  11. PROCESS SIMULATION OF BENZENE SEPARATION COLUMN OF LINEAR ALKYL BENZENE (LABPLANT

    Directory of Open Access Journals (Sweden)

    Zaid A. AbdelRahman

    2013-05-01

    Full Text Available       CHEMCAD process simulator was used for the analysis of existing benzene separation column in LAB plant(Arab Detergent Company/Beiji-Iraq.         Simulated column performance curves were constructed. The variables considered in this study are the thermodynamic model option, top and bottom temperatures, feed temperature, feed composition & reflux ratio. Also simulated columns profiles for the temperature, vapor & liquid flow rates compositions, were constructed. Four different thermodynamic models options (SRK, TSRK, PR, and ESSO were used, affecting the results within 1-25% variation for the most cases.            For Benzene Column (32 real stages, feed stage 14, the simulated results show that bottom temperature above 200 oC the weight fractions of top components, except benzene, increases sharply, where as benzene top weight fraction decreasing sharply. Also, feed temperature above 180 oC  shows same trends. The column profiles remain fairly constant from tray 3 (immediately below condenser to tray 10 (immediately above feed and from tray 15 (immediately below feed to tray 25 (immediately above reboiler. Simulation of the benzene separation column in LAB production plant using CHEMCAD simulator, confirms the real plant operation data. The study gives evidence about a successful simulation with CHEMCAD.

  12. 32P analysis of DNA adducts in tissues of benzene-treated rats

    International Nuclear Information System (INIS)

    Solid tumors have been reported in the Zymbal gland, oral and nasal cavities, liver, and mammary gland of Sprague-Dawley rats following chronic, high-dose administration of benzene. The carcinogenic activity of benzene is thought to be caused by activation to toxic metabolites that can interact with DNA, forming covalent adducts. A nuclease P1-enhanced 32P-postlabeling assay, having a sensitivity limit of 1 adduct in 10(9-10) DNA nucleotides, was found suitable for measuring aromatic DNA adducts derived in vitro from catechol, benzenetriol (BT), phenol, hydroquinone (HQ), and benzoquinone (BQ), potential metabolites of benzene. When DNA specimens isolated from tissues of female Sprague-Dawley rats at 24 hr after an oral gavage dose of 200 to 500 mg/kg, 5 days/week, in olive oil (3 mL/kg) for 1 day, 1 week, 5 weeks, and 10 weeks were analyzed by the 32P-postlabeling procedure, no aromatic adducts were detected unequivocally with DNA samples of liver, kidney, bone marrow, and mammary gland. With Zymbal gland DNA, three weak spots at levels totaling four lesions per 10(9) DNA nucleotides were seen only after 10 weeks of treatment, and these adducts did not correspond chromatographically to major adducts in vitro from the above specified compounds. Consequently, this finding requires confirmatory experiments. This distinct adduct pattern may relate to tumor induction in this organ following benzene administration. Our results also indicate that DNA adducts derived from catechol, BT, phenol, HQ, and BQ are either not formed in vivo with benzene or formed at levels below the detection limit of 1 adduct per 10(9-10) DNA nucleotides

  13. QSARS for Acute Toxicity of Halogenated Benzenes to Bacteria in Natural Waters

    Institute of Scientific and Technical Information of China (English)

    GUAN-GHUA LU; CHAO WANG; YU-MEI LI

    2006-01-01

    Objective To measure the acute toxicity of halogenated benzenes to bacteria in natural waters and to study quantitative relationships between the structure and activity of chemicals. Methods The concentration values causing 50% inhibition of bacteria growth (24h-IC50) were determined according to the bacterial growth inhibition test method. The energy of the lowest unoccupied molecular orbital and the net charge of carbon atom of 20 halogenated benzenes were calculated by the quantum chemical MOPAC program. Results The log1/IC50 values ranged from 4.79 for 2,4-dinitrochlorobenzene to 3.65 for chlorobenzene. A quantitative structure-activity relationship model was derived from the toxicity and structural parameters: log1/IC50 =-0.531(ELUMO)+1.693(Qc)+0.163(logP)+3.375. This equation was found to fit well (r2=0.860, s=0.106), and the average percentage error was only 1.98%. Conclusion Halogenated benzenes and alkyl halogenated benzenes are non-polar narcotics, and have hydrophobicity-dependent toxicity. The halogenated phenols and anilines exhibit a higher toxic potency than their hydrophobicity, whereas 2,4-dinitrochlorobenzene is electrophile with the halogen acting as the leaving group.

  14. Quantitative structure-activity relationships for the Toxicity of Substituted Benzenes to Cyprinus carpio

    Institute of Scientific and Technical Information of China (English)

    GUANG-HUA LU; CHAO WANG; XING YUAN; PEI-ZHEN LAN

    2005-01-01

    Objective To measure the 96h-LC50 values of 32 substituted benzenes to the carp and to study the relationship between quantitative structure-activity and structural parameters of chemicals. Methods The acute toxicity values of 32 substituted benzenes to the carp were determined in a semistatic test. The energy of the lowest unoccupied molecular orbital, and the highest occupied molecular orbital, the dipole moment and the molecular weight of substituted benzenes were calculated by the quantum chemical method MOPAC6.0. Results The range of the toxicity of studied compounds was broad, and the most toxic compound was pentachlorophenol, while the least toxic compound was 4-methylaniline. By the stepwise regression analyses, a series of Quantitative structure-activity relationships (QSAR) equations were derived from all compounds and subclasses. The equation log1/LC50=0.759logP +2.222 (R2 (adj)=0.818) was found to fit well and the average predicted percentage error was 6.16%. Conclusion The toxicity of anilines and phenols to the carp could be modeled well by logP alone, whereas the toxicity of the halogenated benzenes and nitrobenznes not containing hydroxyl or amino group can be controlled by hydrophobic and electronic factors.

  15. At-line benzene monitor for measuring benzene in precipitate hydrolysis aqueous

    Energy Technology Data Exchange (ETDEWEB)

    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.

  16. At-line benzene monitor for measuring benzene in precipitate hydrolysis aqueous

    International Nuclear Information System (INIS)

    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. Benzene-fused BODIPYs: Synthesis and the impact of fusion mode

    KAUST Repository

    Ni, Yong

    2013-01-01

    BODIPY derivatives with one or two benzene units fused at different positions are prepared using novel synthetic methods. The resulting dye 1 shows deep red fluorescence with a large Stokes shift. Dyes 2 and 3 are reported for the first time and 3 exhibits near infrared absorption. The impact of benzannulation at different positions of BODIPY is discussed, and the geometry and electronic structure are studied by DFT calculations. This journal is © 2013 The Royal Society of Chemistry.

  18. Benzene and ethylene in Bio-SNG production. Nuisance, fuel or valuable products?

    Energy Technology Data Exchange (ETDEWEB)

    Rabou, L.P.L.M. Rabou; Van der Drift, A. [ECN Biomass and Energy Efficiency, Petten (Netherlands)

    2011-11-15

    , it has no use for benzene as an additional heat source. That is why ECN research focuses on solving problems associated with the conversion of benzene and ethylene to methane. One of the problems is removal of organic sulphur compounds, especially thiophene and its derivatives like benzo-thiophene. The main route pursued by ECN is conversion of thiophenes by a hydrodesulphurization (HDS) catalyst, followed by adsorption of the hydrogensulphide produced. Benzene removed from producer gas by liquid scrubbing or adsorption to a solid sorbent can also be recovered for use as fuel in a separate boiler. An advantage of that approach would be that benzene can be stored more easily than producer gas to match heat production with demand by e.g. a district heat system or to provide heat during gasifier maintenance. In fact, that would copy the approach followed in Harbooere with tar. Another promising option is cryogenic separation of producer gas. In principle, that would make it possible to separate and recover not only benzene but also ethylene. Even without purification, these may have more value as chemical base materials than when used as fuel. The cryogenic treatment would probably also capture sulphur compounds, thus considerably simplifying the gas cleaning needed for protection of the methanation catalyst. Advantages and disadvantages of the above options will be discussed. Experimental results of ECN research on hydrodesulphurization and adsorbents will be presented. Further research questions will be addressed.

  19. Deriving Derivatives

    OpenAIRE

    Soklakov, Andrei N.

    2013-01-01

    Quantitative Structuring is a rigorous framework for the design of financial products. We show how it incorporates traditional investment ideas while supporting a more accurate expression of clients' views on the market. We briefly touch upon adjacent topics regarding the safety of financial derivatives and the role of pricing models in product design.

  20. Benzene exposure: An overview of monitoring methods and their findings

    OpenAIRE

    Weisel, Clifford P.

    2010-01-01

    Benzene has been measured throughout the environment and is commonly emitted in several industrial and transportation settings leading to widespread environmental and occupational exposures. Inhalation is the most common exposure route but benzene rapidly penetrates the skin and can contaminant water and food resulting in dermal and ingestion exposures. While less toxic solvents have been substituted for benzene, it still is a component of petroleum products, including gasoline, and is a trac...

  1. 40 CFR 80.1238 - How is a refinery's or importer's average benzene concentration determined?

    Science.gov (United States)

    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...

  2. Physiological and phylogenetic characterization of a stable benzene-degrading, chlorate-reducing microbial community

    NARCIS (Netherlands)

    Weelink, S.A.B.; Tan, N.C.G.; Broeke, H. ten; Doesburg, W. van; Langenhoff, A.A.M.; Gerritse, J.; Stams, A.J.M.

    2007-01-01

    A stable anoxic enrichment culture was obtained that degraded benzene with chlorate as an electron acceptor. The benzene degradation rate was 1.65 mM benzene per day, which is similar to reported aerobic benzene degradation rates but 20-1650 times higher than reported for anaerobic benzene degradati

  3. Soil adsorption alters bioavailability of benzene in dermally exposed male rats

    International Nuclear Information System (INIS)

    The potential for exposure to chemically contaminated soil is a concern for chemical industry and waste disposal site workers as well as for individuals living near the contamination site. Current assessment of potential health risks from these types of exposures relies almost exclusively on extrapolations from data derived with pure chemicals. Complex interactions with soil, however, may alter greatly the way in which a chemical subsequently interacts with the body. This study was conducted to determine if soil adsorption alters the way in which benzene, a common chemical contaminant, enters and is handled by the body following dermal exposure. A shallow glass cap covering approximately a 13-cm2 area was fixed tightly to the shaved skin of each adult male rat tested; 300 microL of 14C-benzene alone or with 1 g of clay or sandy soil was introduced under the cap through an opening which was sealed immediately. Pure benzene produced the highest peak plasma concentration of radioactivity, followed closely by sandy soil-adsorbed benzene, with the lowest value exhibited by clay soil-adsorbed benzene. The plasma elimination half-lives were as follows:sandy (24.5 hr), pure (23.0 hr), and clay (19.4 hr). The tissue concentrations of radioactivity 48 hr post administration were highest in treated skin (covered by the glass cap), followed by the kidney and liver in both soil-treated groups, and were highest in the kidney followed by the liver and treated skin in the pure pure

  4. Benzene exposure is associated with epigenetic changes (Review).

    Science.gov (United States)

    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. PMID:26936331

  5. Benzene as a Chemical Hazard in Processed Foods

    Directory of Open Access Journals (Sweden)

    Vânia Paula Salviano dos Santos

    2015-01-01

    Full Text Available 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.

  6. An efficient synthesis of substituted benzene-1,2-dicarboxaldehydes

    Institute of Scientific and Technical Information of China (English)

    ZHU Peter C; WANG Dei-Haw; LU Kaitao; MANI Neelakandha

    2007-01-01

    Substituted-benzene-1,2-dicarbaldehydes were synthesized by the reaction of substituted-1,2-bis (dibromomethyl) benzenes with fuming sulfuric acid, followed by hydrolysis, The yields were significantly improved by introducing solid sodium bicarbonate into the reaction mixture before hydrolysis and workup.

  7. An efficient synthesis of substituted benzene-1,2-dicarboxaldehydes

    Institute of Scientific and Technical Information of China (English)

    ZHU; Peter; C; WANG; Der-Haw; MANI; Neelakandha

    2007-01-01

    Substituted-benzene-1,2-dicarbaldehydes were synthesized by the reaction of substituted-1,2-bis(dibromomethyl) benzenes with fuming sulfuric acid,followed by hydrolysis. The yields were signifi-cantly improved by introducing solid sodium bicarbonate into the reaction mixture before hydrolysis and workup.

  8. 1,4-Bis[(2-pyridylethyliminomethyl]benzene

    Directory of Open Access Journals (Sweden)

    Haleden Chiririwa

    2011-04-01

    Full Text Available In the title compound, C22H22N4, the centroid of the benzene ring is located on an inversion centre. The dihedral angle between the benzene and pyridine rings is 10.94 (5°. The crystal structure displays weak intermolecular C—H...N hydrogen bonding and C—H...π interactions.

  9. Redox potential parameterization in coordination compounds with polydentate scorpionate and benzene ligands

    International Nuclear Information System (INIS)

    The Lever redox potential parameterization model is extended to half-sandwich type complexes bearing polydentate boron-based or carbon-based scorpionate-type or π-aromatic (benzene or p-cymene) ligands, allowing to estimate the electrochemical EL ligand parameter of a diversity of such polytopal ligands which, thus, are ordered according to their electron-donor character and compared with other ligands. Partial EL values assigned to each metal ligated arm (2-electron-donor) of the scorpionate ligand (i.e., pyrazolyl, indazolyl or carboxylate groups) and to each unsaturated C=C moiety of π-benzene (or π-p-cymene) are also proposed. The studied scorpionate ligands comprise the following basic ones and derivatives: tris(pyrazol-1-yl or indazol-1-yl)borate, tris(pyrazol-1-yl)methane and bis(pyrazol-1-yl)acetic acid.

  10. Carbo-quinoids: stability and reversible redox-proaromatic character towards carbo-benzenes.

    Science.gov (United States)

    Cocq, Kévin; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Poidevin, Corentin; Lepetit, Christine; Chauvin, Remi

    2015-02-23

    The carbo-mer of the para-quinodimethane core is stable within in a bis(9-fluorenylidene) derivative. Oxidation of this carbo-quinoid with MnO2 in the presence of SnCl2 and ethanol affords the corresponding p-bis(9-ethoxy-fluoren-9-yl)-carbo-benzene. The latter can be in turn converted back into the carbo-quinoid by reduction with SnCl2 , thus evidencing a chemical reversibility of the interconversion between a pro-aromatic carbo-quinoid and an aromatic carbo-benzene, and is reminiscent of the behavior of the benzoquinone/hydroquinone redox couple (in the red-ox opposite sense). PMID:25612252

  11. Thermodynamic Investigation of the Azeotropic Mixture Composed of Water and Benzene

    Institute of Scientific and Technical Information of China (English)

    NAN,Zhao-Dong(南照东); TAN,Zhi-Cheng(谭志诚)

    2004-01-01

    The molar heat capacity of the azeotropic mixture composed of water and benzene was measured by an adiabatic calorimeter in the temperature range from 80 to 320 K. The phase transitions took place in the temperature range from 265.409 to 275.165 K and 275.165 to 279.399 K. The phase transition temperatures were determined to be 272.945 and 278.339 K, which were corresponding to the solid-liquid phase transitions of water and benzene, respectively. The thermodynamic functions and the excess thermodynamic functions of the mixture relative to standard temperature 298.15 K were derived from the relationships of the thermodynamic functions and the function of the measured heat capacity with respect to temperature.

  12. [Update on benzene: from industrial toxicant to environmental carcinogen].

    Science.gov (United States)

    Manno, Maurizio

    2013-01-01

    Benzene, an industrial chemical myelotoxic at high doses in workers, is now an almost ubiquitous pollutant. It is also a no-threshold genotoxic carcinogen causing acute leukemia and other lymphoaematological tumours. Although its mechanism of action has not been fully clarified, benzene toxicity and carcinogenicity depend on metabolic activation. Polymorphism of activating and detoxifying enzymes (CYP, GST, NQO1) may be critical, therefore, in modulating individual susceptibility to benzene. Further uncertainty factors in assessing low level benzene exposure are the limited sensitivity and specificity of most exposure biomarkers, the frequent coexposure to other volatile organic chemicals (VOC), and the presence of non occupational sources of exposure, such as cigarette smoke and veicular traffic. The aim of this presentation is to introduce the main current critical issues in the risk assessment and the biological monitoring of occupational exposure to benzene at low doses. PMID:24303704

  13. Air pollution monitoring in Como urban areas. Benzene

    International Nuclear Information System (INIS)

    This work presents the results of a physical - statistical analysis of concentrations of benzene, measured in the Como Center station from 1996 to 1999. The analysis, conducted by means of the development, by steps, of a multifactorial linear regression model, permitted to find an annual trend of benzene, independently from the influence of meteorologicals variables. It has been seen a decrease of concentrations of benzene, from 1997 to 1999, that may be correlate to a decrease of tenor of benzene in the petrol. At the same time, the results of the model permit to understand the role and the relative weight of different climatic factors on the concentrations of benzene. It has been investigated the presence of daily, weekly and seasonal trend, too

  14. Catalytic conversion of alcohols to hydrocarbons with low benzene content

    Energy Technology Data Exchange (ETDEWEB)

    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.

  15. Catalytic conversion of alcohols to hydrocarbons with low benzene content

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    Science.gov (United States)

    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.

  17. A Quantum Monte Carlo Study of mono(benzene)TM and bis(benzene)TM Systems

    CERN Document Server

    Bennett, M Chandler; Mitas, Lubos

    2016-01-01

    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 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. Benzene conversion by manganese dioxide assisted silent discharge plasma

    Institute of Scientific and Technical Information of China (English)

    LU Bin; JI Min; YU Xin; FENG Tao; YAO Shuiliang

    2007-01-01

    Non-thermal plasma technologies have shown their promising potential specially for the low concentration of volatile organic compound control in indoor air in recent years.But it is also high energy consuming.So,to improve the energy efficiency,adding catalysts which enhance the plasma chemical reactions to plasma reactors may be a good selection.Therefore,in this study the manganese dioxide assisted silent discharge plasma was developed for benzene conversion at a relatively high energy efficiency.The results show that MnO2 could promote complete oxidation of benzene with O2 and O3 produced in the plasma discharge zone.The energy efficiency of benzene conversion with MnO2 was two folds as much as that without catalysts.It was also found that the site of MnO2 in the reactor and the energy density had effects on benzene conversion.While the energy density was lower than 48 J/L,benzene conversion decreased with the increase in the distance between MnO2 bed and the plasma discharge zone.Whereas when the energy density was higher than 104 J/L,benzene conversion had an optimal value that was governed by the distance between MnO2 bed and the plasma discharge zone.The mechanism of benzene oxidation in plasma discharges and over MnO2 is discussed in detail.

  19. Benzene exposure: an overview of monitoring methods and their findings.

    Science.gov (United States)

    Weisel, Clifford P

    2010-03-19

    Benzene has been measured throughout the environment and is commonly emitted in several industrial and transportation settings leading to widespread environmental and occupational exposures. Inhalation is the most common exposure route but benzene rapidly penetrates the skin and can contaminant water and food resulting in dermal and ingestion exposures. While less toxic solvents have been substituted for benzene, it still is a component of petroleum products, including gasoline, and is a trace impurity in industrial products resulting in continued sub to low ppm occupational exposures, though higher exposures exist in small, uncontrolled workshops in developing countries. Emissions from gasoline/petrochemical industry are its main sources to the ambient air, but a person's total inhalation exposure can be elevated from emissions from cigarettes, consumer products and gasoline powered engines/tools stored in garages attached to homes. Air samples are collected in canisters or on adsorbent with subsequent quantification by gas chromatography. Ambient air concentrations vary from sub-ppb range, low ppb, and tens of ppb in rural/suburban, urban, and source impacted areas, respectively. Short-term environmental exposures of ppm occur during vehicle fueling. Indoor air concentrations of tens of ppb occur in microenvironments containing indoor sources. Occupational and environmental exposures have declined where regulations limit benzene in gasoline (<1%) and cigarette smoking has been banned from public and work places. Similar controls should be implemented worldwide to reduce benzene exposure. Biomarkers of benzene used to estimate exposure and risk include: benzene in breath, blood and urine; its urinary metabolites: phenol, t,t-muconic acid (t,tMA) and S-phenylmercapturic acid (sPMA); and blood protein adducts. The biomarker studies suggest benzene environmental exposures are in the sub to low ppb range though non-benzene sources for urinary metabolites, differences

  20. Pulsed (13)C2-Acetate Protein-SIP Unveils Epsilonproteobacteria as Dominant Acetate Utilizers in a Sulfate-Reducing Microbial Community Mineralizing Benzene.

    Science.gov (United States)

    Starke, Robert; Keller, Andreas; Jehmlich, Nico; Vogt, Carsten; Richnow, Hans H; Kleinsteuber, Sabine; von Bergen, Martin; Seifert, Jana

    2016-05-01

    In a benzene-degrading and sulfate-reducing syntrophic consortium, a clostridium affiliated to the genus Pelotomaculum was previously described to ferment benzene while various sulfate-reducing Deltaproteobacteria and a member of the Epsilonproteobacteria were supposed to utilize acetate and hydrogen as key metabolites derived from benzene fermentation. However, the acetate utilization network within this community was not yet unveiled. In this study, we performed a pulsed (13)C2-acetate protein stable isotope probing (protein-SIP) approach continuously spiking low amounts of acetate (10 μM per day) in addition to the ongoing mineralization of unlabeled benzene. Metaproteomics revealed high abundances of Clostridiales followed by Syntrophobacterales, Desulfobacterales, Desulfuromonadales, Desulfovibrionales, Archaeoglobales, and Campylobacterales. Pulsed acetate protein-SIP results indicated that members of the Campylobacterales, the Syntrophobacterales, the Archaeoglobales, the Clostridiales, and the Desulfobacterales were linked to acetate utilization in descending abundance. The Campylobacterales revealed the fastest and highest (13)C incorporation. Previous experiments suggested that the activity of the Campylobacterales was not essential for anaerobic benzene degradation in the investigated community. However, these organisms were consistently detected in various hydrocarbon-degrading and sulfate-reducing consortia enriched from the same aquifer. Here, we demonstrate that this member of the Campylobacterales is the dominant acetate utilizer in the benzene-degrading microbial consortium. PMID:26846217

  1. 40 CFR 80.1285 - How does a refiner apply for a benzene baseline?

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 16 2010-07-01 2010-07-01 false How does a refiner apply for a benzene... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Averaging, Banking and Trading (abt) Program § 80.1285 How does a refiner apply for a benzene baseline? (a) A benzene...

  2. 40 CFR 80.1220 - What are the implementation dates for the gasoline benzene program?

    Science.gov (United States)

    2010-07-01

    ... the gasoline benzene program? 80.1220 Section 80.1220 Protection of Environment ENVIRONMENTAL... Benzene General Information § 80.1220 What are the implementation dates for the gasoline benzene program? (a) Benzene standard. (1) For the annual averaging period beginning January 1, 2011, and for...

  3. Variability of benzene exposure among filling station attendants

    International Nuclear Information System (INIS)

    A monitoring survey of filling station attendants aimed at identifying sources of variability of exposure to benzene and other aromatics was carried out. Concurrent samples of the worker's breathing zone air, atmospheric air in the service station proximity, and gasoline were collected, along with information about daily workloads and other exposure-related factors. Benzene personal exposure was characterised by a small between-worker variability and a predominant within-worker variance component. Such elevated day-to-day variability yields to imprecise estimates of mean personal exposure. Almost 70% of the overall personal exposure variance was explained by a model including daily benzene from dispensed fuel, presence of a shelter over the refueling area, amount of fuel supplied to the station if a delivery occurred, and background atmospheric benzene concentration

  4. Electronic structure of benzene adsorbed on Ni and Cu surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Weinelt, M.; Nilsson, A.; Wassdahl, N. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    Benzene has for a long time served as a prototype adsorption system of large molecules. It adsorbs with the molecular plane parallel to the surface. The bonding of benzene to a transition metal is typically viewed to involve the {pi} system. Benzene adsorbs weakly on Cu and strongly on Ni. It is interesting to study how the adsorption strength is reflected in the electronic structure of the adsorbate-substrate complex. The authors have used X-ray Emission (XE) and X-ray Absorption (XA) spectroscopies to selectively study the electronic states localized on the adsorbed benzene molecule. Using XES the occupied states can be studies and with XAS the unoccupied states. The authors have used beamline 8.0 and the Swedish endstation equipped with a grazing incidence x-ray spectrometer and a partial yield absorption detector. The resolution in the XES and XAS were 0.5 eV and 0.05 eV, respectively.

  5. Exposure to benzene metabolites causes oxidative damage in Saccharomyces cerevisiae.

    Science.gov (United States)

    Raj, Abhishek; Nachiappan, Vasanthi

    2016-06-01

    Hydroquinone (HQ) and benzoquinone (BQ) are known benzene metabolites that form reactive intermediates such as reactive oxygen species (ROS). This study attempts to understand the effect of benzene metabolites (HQ and BQ) on the antioxidant status, cell morphology, ROS levels and lipid alterations in the yeast Saccharomyces cerevisiae. There was a reduction in the growth pattern of wild-type cells exposed to HQ/BQ. Exposure of yeast cells to benzene metabolites increased the activity of the anti-oxidant enzymes catalase, superoxide dismutase and glutathione peroxidase but lead to a decrease in ascorbic acid and reduced glutathione. Increased triglyceride level and decreased phospholipid levels were observed with exposure to HQ and BQ. These results suggest that the enzymatic antioxidants were increased and are involved in the protection against macromolecular damage during oxidative stress; presumptively, these enzymes are essential for scavenging the pro-oxidant effects of benzene metabolites. PMID:27016252

  6. Intrinsic and enhanced biodegradation of benzene in strongly reduced aquifers

    NARCIS (Netherlands)

    Heiningen, W.N.M. van; Rijnaarts, H.H.M; Langenhoff, A.A.M.

    1999-01-01

    Laboratory microcosm studies were performed to examine intrinsic and enhanced benzene bioremediation using five different sediment and groundwater samples from three deeply anaerobic aquifers sited in northern Netherlands. The influence of addition of nitrate, sulfate, limited amounts of oxygen, and

  7. Magnetically rotational reactor for absorbing benzene emissions by ionic liquids

    Institute of Scientific and Technical Information of China (English)

    Yangyang; Jiang; Chen; Guo; Huizhou; Liu

    2007-01-01

    A magnetically rotational reactor (MRR) has been developed and used in absorbing benzene emissions. The MRR has a permanent magnet core and uses magnetic ionic liquid [bmim]FeCl4 as absorbent. Benzene emissions were carried by N2 into the MRR and were absorbed by the magnetic ionic liquid. The rotation of the permanent magnet core provided impetus for the agitation of the magnetic ionic liquid, enhancing mass transfer and making benzene better dispersed in the absorbent. 0.68 g benzene emissions could be absorbed by a gram of [bmim]FeCl4, 0.27 and 0.40 g/ghigher than that by [bmim]PF6 and [bmim]BF4, respectively. The absorption rate increased with increasing rotation rate of the permanent magnet.

  8. The photophysics, crystal and electronic structures of some novel benzene-linked bisimidazole compounds

    International Nuclear Information System (INIS)

    Several novel disubstituted benzene-bridged bisimidazole derivatives (3a–3h) were prepared and characterized. Their optical properties, crystal structures and quantum chemical calculations were also investigated. The UV–vis spectra observed (λAbsmax: 325–348 nm) in acetonitrile showed low optical band gaps (Egopt: 2.89–3.25 eV). All these compounds display strong fluorescence in solution with emission spectra (λEmmax: 389.5–418 nm) (fluorescence quantum yield in the range 0.46–0.95) and significant Stokes shift (3670–5490 cm−1). The single crystal structures of 3h solvates were presented and discussed. The space groups of 3h solvates (3h1: 3h·2H2O and 3h2: 3h·DMSO·2H2O) were C2/c and P21/c, respectively. Quantum chemical calculations using DFT B3LYP/6-31G(d) showed obvious difference in LUMO (−1.273 to −1.715 eV) and HOMO (−4.838 to −5.296 eV) while they were similar in Egcal (3.393–3.599 eV) values of these compounds. These results demonstrate that these novel disubstituted benzene-bridged bisimidazole derivatives are promising electron-transporting electro luminescent materials and blue-light emitting materials for OLED. -- Highlights: • A series of novel benzene-bridged bisimidazole derivatives were synthesized. • The spectral and photophysical properties were investigated. • The crystal structures and ground state electronic structures (DFT) were discussed

  9. Positronium quenching in liquid and solid octanol and benzene

    DEFF Research Database (Denmark)

    Shantarovich, V.P.; Mogensen, O.E.; Goldanskii, V.I.

    1970-01-01

    The lifetimes of orthopositronium in several solutions in liquid and solid octanol and benzene have been measured. The Ps-quenching constant was found to be two to thirty times higher in the solid than in the liquid phase.......The lifetimes of orthopositronium in several solutions in liquid and solid octanol and benzene have been measured. The Ps-quenching constant was found to be two to thirty times higher in the solid than in the liquid phase....

  10. Biological monitoring of workers exposed to benzene in the coke oven industry.

    OpenAIRE

    Drummond, L; Luck, R; Afacan, A. S.; Wilson, H K

    1988-01-01

    Workers in the coke oven industry are potentially exposed to low concentrations of benzene. There is a need to establish a well validated biological monitoring procedure for low level benzene exposure. The use of breath and blood benzene and urinary phenol has been explored in conjunction with personal monitoring data. At exposures of about 1 ppm benzene, urinary phenol is of no value as an indicator of uptake/exposure. Benzene in blood was measured by head space gas chromatography but the co...

  11. Exposition by inhalation to the benzene, toluene, ethyl-benzene and xylenes (BTEX) in the air. Sources, measures and concentrations

    International Nuclear Information System (INIS)

    This document presents the main techniques today available to characterize the benzene, toluene, ethyl-benzene and xylene (BTEX) concentrations in the air for different contexts: urban and rural areas or around industrial installations but also indoor and occupational area. It provides information to guide laboratories and research departments. A synthesis gives also the main emissions sources of these compounds as reference concentrations measured in different environments. (A.L.B.)

  12. Competition between benzene and styrene in forming radicals under different solvent conditions observed by muon level crossing resonance

    International Nuclear Information System (INIS)

    The muon level-crossing-resonance technique has been used to resolve major discrepancies that exist in muon-spin-resonance studies (both free-radical formation and muonium decay rates) in the competition between benzene and styrene. The results, obtained for ∼30 mM solutions in ethanol and for 2.5 mM aqueous micelles solutions, show that muonium atoms (Mu) react 8 (±2) times faster with styrene than with benzene. In the above cases thermalized Mu is unquestionably the reactive species, which is known to show nucleophilic intra-molecular selectivity in the case of styrene. But a similar value, 9 (±2), was also obtained for undiluted mixtures of liquid benzene and styrene (neat mixture) - where the precursor might have been 'hot Mu' (which should display weaker selectivity than Mu) or cations derived from μ+ (which should show higher selectivity). These results support the view that thermalized Mu is the predominant reactive species in liquid benzene and styrene. (orig.)

  13. Lymphocyte chromosome breakage in low benzene exposure among Indonesian workers

    Directory of Open Access Journals (Sweden)

    Dewi S. Soemarko

    2015-01-01

    Full Text Available Background: Benzene has been used in industry since long time and its level in environment should be controled. Although environmental benzene level has been controlled to less than 1 ppm, negative effect of benzene exposure is still observed, such as chromosome breakage. This study aimed to know the prevalence of lymphocyte chromosome breakage and the influencing factors among workers in low level benzene exposure.Methods: This was a cross sectional study in oil & gas industry T, conducted between September 2007 and April 2010. The study subjects consisted of 115 workers from production section and head office. Data on type of work, duration of benzene exposure, and antioxidant consumption were collected by interview as well as observation of working process. Lymphocyte chromosome breakage was examined by banding method. Analysis of relationship between chromosome breakage and risk factors was performed by chi-square and odd ratio, whereas the role of determinant risk factors was analyzed by multivariate forward stepwise.Results: Overall lymphocyte chromosome breakage was experieced by 72 out of 115 subjects (62.61%. The prevalence among workers at production section was 68.9%, while among administration workers was 40% (p > 0.05. Low antioxidant intake increases the risk of chromosome breakage (p = 0.035; ORadjusted = 2.90; 95%CI 1.08-7.78. Other influencing factors are: type of work (p = 0,10; ORcrude = 3.32; 95% CI 1.33-8.3 and chronic benzene exposure at workplace (p = 0.014; ORcrude = 2.61; 95% CI 1.2-5.67, while the work practice-behavior decreases the lymphocyte chromosome breakage (p = 0.007; ORadjusted = 0.30; 95% CI 0.15-0.76.Conclusion: The prevalence of lymphocyte chromosome breakage in the environment with low benzene exposure is quite high especially in production workers. Chronic benzene exposure in the workplace, type of work, and low antioxidant consumption is related to lymphocyte chromosome breakage. Thus, benzene in the

  14. Human benzene metabolism following occupational and environmental exposures.

    Science.gov (United States)

    Rappaport, Stephen M; Kim, Sungkyoon; Lan, Qing; Li, Guilan; Vermeulen, Roel; Waidyanatha, Suramya; Zhang, Luoping; Yin, Songnian; Smith, Martyn T; Rothman, Nathaniel

    2010-03-19

    We previously reported evidence that humans metabolize benzene via two enzymes, including a hitherto unrecognized high-affinity enzyme that was responsible for an estimated 73% of total urinary metabolites [sum of phenol (PH), hydroquinone (HQ), catechol (CA), E,E-muconic acid (MA), and S-phenylmercapturic acid (SPMA)] in nonsmoking females exposed to benzene at sub-saturating (ppb) air concentrations. Here, we used the same Michaelis-Menten-like kinetic models to individually analyze urinary levels of PH, HQ, CA and MA from 263 nonsmoking Chinese women (179 benzene-exposed workers and 84 control workers) with estimated benzene air concentrations ranging from less than 0.001-299 ppm. One model depicted benzene metabolism as a single enzymatic process (1-enzyme model) and the other as two enzymatic processes which competed for access to benzene (2-enzyme model). We evaluated model fits based upon the difference in values of Akaike's Information Criterion (DeltaAIC), and we gauged the weights of evidence favoring the two models based upon the associated Akaike weights and Evidence Ratios. For each metabolite, the 2-enzyme model provided a better fit than the 1-enzyme model with DeltaAIC values decreasing in the order 9.511 for MA, 7.379 for PH, 1.417 for CA, and 0.193 for HQ. The corresponding weights of evidence favoring the 2-enzyme model (Evidence Ratios) were: 116.2:1 for MA, 40.0:1 for PH, 2.0:1 for CA and 1.1:1 for HQ. These results indicate that our earlier findings from models of total metabolites were driven largely by MA, representing the ring-opening pathway, and by PH, representing the ring-hydroxylation pathway. The predicted percentage of benzene metabolized by the putative high-affinity enzyme at an air concentration of 0.001 ppm was 88% based upon urinary MA and was 80% based upon urinary PH. As benzene concentrations increased, the respective percentages of benzene metabolized to MA and PH by the high-affinity enzyme decreased successively to 66 and

  15. Human Benzene Metabolism Following Occupational and Environmental Exposures

    Science.gov (United States)

    Rappaport, Stephen M.; Kim, Sungkyoon; Lan, Qing; Li, Guilan; Vermeulen, Roel; Waidyanatha, Suramya; Zhang, Luoping; Yin, Songnian; Smith, Martyn T.; Rothman, Nathaniel

    2011-01-01

    We previously reported evidence that humans metabolize benzene via two enzymes, including a hitherto unrecognized high-affinity enzyme that was responsible for an estimated 73 percent of total urinary metabolites [sum of phenol (PH), hydroquinone (HQ), catechol (CA), E,E-muconic acid (MA), and S-phenylmercapturic acid (SPMA)] in nonsmoking females exposed to benzene at sub-saturating (ppb) air concentrations. Here, we used the same Michaelis-Menten-like kinetic models to individually analyze urinary levels of PH, HQ, CA and MA from 263 nonsmoking Chinese women (179 benzene-exposed workers and 84 control workers) with estimated benzene air concentrations ranging from less than 0.001 ppm to 299 ppm. One model depicted benzene metabolism as a single enzymatic process (1-enzyme model) and the other as two enzymatic processes which competed for access to benzene (2-enzyme model). We evaluated model fits based upon the difference in values of Akaike’s Information Criterion (ΔAIC), and we gauged the weights of evidence favoring the two models based upon the associated Akaike weights and Evidence Ratios. For each metabolite, the 2-enzyme model provided a better fit than the 1-enzyme model with ΔAIC values decreasing in the order 9.511 for MA, 7.379 for PH, 1.417 for CA, and 0.193 for HQ. The corresponding weights of evidence favoring the 2-enzyme model (Evidence Ratios) were: 116.2:1 for MA, 40.0:1 for PH, 2.0:1 for CA and 1.1:1 for HQ. These results indicate that our earlier findings from models of total metabolites were driven largely by MA, representing the ring-opening pathway, and by PH, representing the ring-hydroxylation pathway. The predicted percentage of benzene metabolized by the putative high-affinity enzyme at an air concentration of 0.001 ppm was 88% based upon urinary MA and was 80% based upon urinary PH. As benzene concentrations increased, the respective percentages of benzene metabolized to MA and PH by the high-affinity enzyme decreased successively

  16. Canada-wide standard for benzene phase 2

    International Nuclear Information System (INIS)

    On the basis of available data, benzene is classified as carcinogenic to humans, and it led to the establishment, pursuant to the 1998 Canada-wide Accord on Environmental Harmonization of the Canadian Council of Ministers of the Environment (CCME) and its Canada-wide Environmental Standards Sub-Agreement, of the Canada-Wide Standard (CWS) for benzene. It is generally considered that any level of exposure carries some probability of harmful effects. A balancing act between achieving the best health and environmental protection possible and feasibility and costs associated with the reduction of emissions contributing to elevated levels of benzene in the air was performed for the development of this CWS. In June 2000, the Ministers of the Environment agreed to a phased approach to benzene reduction. To this effect, the Canada-Wide Standard for Benzene Phase 1 was ratified. By the end of 2000, a 30 per cent reduction in total benzene emissions form 1995 emission inventory levels was expected, according to Phase 1. The measures initiated during Phase 1 will continue beyond the time frame, and Phase 2 calls for a follow-through on those measures. Best management practices and jurisdictional regulations that will minimize emissions are recognized as part of Phase 2. Joint action in conjunction with other air issue programs should lead to additional reductions. Specifically, Phase 2 calls for an additional reduction of 6 kilotonnes in benzene emissions for existing facilities by the end of 2010. The minimization of benzene emissions through the application of best available pollution prevention and control techniques is contained for new and expanding facilities. The implementation of the CWS comprises the follow-up of existing initiatives resulting from the application of Phase 1 and the promotion and application of best management practices for new and expanding facilities, the determination and tracking of ancillary emission reductions of benzene realized as a result of

  17. Products of the Benzene + O(3P) Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Taatjes, Craig A.; Osborn, David L.; Selby, Talitha M.; Meloni, Giovanni; Trevitt, Adam J.; Epifanovsky, Evgeny; Krylov, Anna I.; Sirjean, Baptiste; Dames, Enoch; Wang, Hai

    2009-12-21

    The gas-phase reaction of benzene with O(3P) is of considerable interest for modeling of aromatic oxidation, and also because there exist fundamental questions concerning the prominence of intersystem crossing in the reaction. While its overall rate constant has been studied extensively, there are still significant uncertainties in the product distribution. The reaction proceeds mainly through the addition of the O atom to benzene, forming an initial triplet diradical adduct, which can either dissociate to form the phenoxy radical and H atom, or undergo intersystem crossing onto a singlet surface, followed by a multiplicity of internal isomerizations, leading to several possible reaction products. In this work, we examined the product branching ratios of the reaction between benzene and O(3P) over the temperature range of 300 to 1000 K and pressure range of 1 to 10 Torr. The reactions were initiated by pulsed-laser photolysis of NO2 in the presence of benzene and helium buffer in a slow-flow reactor, and reaction products were identified by using the multiplexed chemical kinetics photoionization mass spectrometer operating at the Advanced Light Source (ALS) of Lawrence Berkeley National Laboratory. Phenol and phenoxy radical were detected and quantified. Cyclopentadiene and cyclopentadienyl radical were directly identified for the first time. Finally, ab initio calculations and master equation/RRKM modeling were used to reproduce the experimental branching ratios, yielding pressure-dependent rate expressions for the reaction channels, including phenoxy + H, phenol, cyclopentadiene + CO, which are proposed for kinetic modeling of benzene oxidation.

  18. Aggregation of deuterodichlormethane molecules with benzene molecules. Quantum-chemical calculations and spectroscopic studies

    International Nuclear Information System (INIS)

    C-D vibration band of deuterodichlormethane CD2Cl2 at its low concentration in benzene is slitted into components with frequency 2198 and 2193 cm-1 that is related to formation of weak benzene+deuterodichlormethane complexes. Quantum-chemical calculations confirm a formation of deuterodichlormethane+benzene dimer with participation of benzene's π -electron. Steric factors lead to a difference in orientation of one of deuterium atoms from the central orientation with respect to benzene ring. According to calculations the energy of deuterodichlormethane+benzene dimer is 1.2 kcal/mole. (author)

  19. Decomposition of benzene in a corona discharge at atmospheric pressure

    Energy Technology Data Exchange (ETDEWEB)

    Satoh, Kohki [Department of Electrical and Electronic Engineering, Muroran Institute of Technology, 27-1 Mizumoto, Muroran 050-8585 (Japan); Centre of Environmental Science and Disaster Mitigation for Advanced Research, Muroran Institute of Technology, 27-1 Mizumoto, Muroran 050-8585 (Japan); Matsuzawa, Toshiharu; Itoh, Hidenori [Department of Electrical and Electronic Engineering, Muroran Institute of Technology, 27-1 Mizumoto, Muroran 050-8585 (Japan)

    2008-05-01

    We investigated the decomposition characteristics of benzene in a positive DC corona discharge between multineedle and plane electrodes with a background gas of nitrogen-oxygen mixture at atmospheric pressure. We obtained C{sub 2}H{sub 2}, HCN, HCOOH, CO and CO{sub 2} as benzene fragments and by-products, and C{sub 2}H{sub 2} and HCN as minor intermediate products. Benzene was primarily converted into CO{sub 2} via CO at low oxygen concentrations (0.2%) and via CO and HCOOH at the atmospheric oxygen concentration (20%). Further, 57% and 24% of carbon atoms were deposited on the plane electrode and the discharge chamber at oxygen concentrations of 0.2% and 20%, respectively.

  20. Elevated Atmospheric Levels of Benzene and Benzene-Related Compounds from Unconventional Shale Extraction and Processing: Human Health Concern for Residential Communities

    Science.gov (United States)

    Rich, Alisa L.; Orimoloye, Helen T.

    2016-01-01

    BACKGROUND The advancement of natural gas (NG) extraction across the United States (U.S.) raises concern for potential exposure to hazardous air pollutants (HAPs). Benzene, a HAP and a primary chemical of concern due to its classification as a known human carcinogen, is present in petroleum-rich geologic formations and is formed during the combustion of bypass NG. It is a component in solvents, paraffin breakers, and fuels used in NG extraction and processing (E&P). OBJECTIVES The objectives of this study are to confirm the presence of benzene and benzene-related compounds (benzene[s]) in residential areas, where unconventional shale E&P is occurring, and to determine if benzene[s] exists in elevated atmospheric concentrations when compared to national background levels. METHODS Ambient air sampling was conducted in six counties in the Dallas/Fort Worth Metroplex with passive samples collected in evacuated 6-L Summa canisters. Samples were analyzed by gas chromatography/mass spectrometry, with sampling performed at variable distances from the facility fence line. RESULTS Elevated concentrations of benzene[s] in the atmosphere were identified when compared to U.S. Environmental Protection Agency’s Urban Air Toxics Monitoring Program. The 24-hour benzene concentrations ranged from 0.6 parts per billion by volume (ppbv) to 592 ppbv, with 1-hour concentrations from 2.94 ppbv to 2,900.20 ppbv. CONCLUSION Benzene is a known human carcinogen capable of multisystem health effects. Exposure to benzene is correlated with bone marrow and blood-forming organ damage and immune system depression. Sensitive populations (children, pregnant women, elderly, immunocompromised) and occupational workers are at increased risk for adverse health effects from elevated atmospheric levels of benzene[s] in residential areas with unconventional shale E&P. PMID:27199565

  1. Benzene/nitrous oxide flammability in the precipitate hydrolysis process

    Energy Technology Data Exchange (ETDEWEB)

    Jacobs, R A [Du Pont de Nemours (E.I.) and Co., Aiken, SC (USA). Savannah River Lab.

    1989-09-18

    The HAN (hydroxylamine nitrate) process for destruction of nitrite in precipitate hydrolysis produces nitrous oxide (N2O) gas as one of the products. N2O can form flammable mixtures with benzene which is also present due to radiolysis and hydrolysis of tetraphenylborate. Extensive flame modeling and explosion testing was undertaken to define the minimum oxidant for combustion of N2O/benzene using both nitrogen and carbon dioxide as diluents. The attached memorandum interprets and documents the results of the studies.

  2. Oxidation of benzene by radiolytically produced OH radicals

    International Nuclear Information System (INIS)

    The radiolysis of N2O saturated-aqueous solutions of benzene-14C has been examined using radio-liquid chromatographic methods to follow the quantitative aspects of the reactions of hydroxycyclohexadienyl radicals. In the absence of a radical oxidant, at least five important products are produced. The total yield of 5.8 observed for the incorporation of benzene into products accounts for essentially all of the radicals initially produced from the water. Dimeric products predominate with a total yield of 4.1. Phenol is produced with a yield of only 0.8 indicating a disproportionation/ combination ratio for hydroxycyclohexadienyl radicals of 2O saturated aqueous solutions. (author)

  3. Electronic Conductivity of Polypyrrole−Dodecyl Benzene Sulfonate Complexes

    DEFF Research Database (Denmark)

    West, Keld; Bay, Lasse; Nielsen, Martin Meedom;

    2004-01-01

    The electronic conductivity of the electroactive polymer polypyrrole-dodecyl benzene sulfonate (PPy-DBS) has been characterized as function of the redox level. The polymer was synthesized with different isomers of the dopant anions: the common mixed DBS tenside and three well-defined synthetic...... dodecyl isomers (with the benzene group at positions 1, 2 and 6). The conductivity was measured both by van der Pauw measurements on PPy-DBS in the oxidized, dry state as function of temperature, and by electrochemical impedance spectroscopy as function of potential in 0.1 M NaCl aqueous electrolyte...

  4. The past suppression of industry knowledge of the toxicity of benzene to humans and potential bias in future benzene research.

    Science.gov (United States)

    Infante, Peter F

    2006-01-01

    Petrochemical industry representatives often withhold information and misinterpret positive evidence of toxicity of benzene, even from their own research, also discouraging or delaying disclosure of findings of adverse effects to the public. They now appear to be attempting to influence study results in industry's favor by offering predetermined conclusions about study results as part of an effort to draw financial support for the studies. The American Petroleum Institute is currently raising funds for benzene research being conducted in China for which it has already announced the intended conclusions. PMID:16967835

  5. Hydroxylation and Carboxylation—Two Crucial Steps of Anaerobic Benzene Degradation by Dechloromonas Strain RCB

    OpenAIRE

    Chakraborty, Romy; Coates, John D.

    2005-01-01

    Benzene is a highly toxic industrial compound that is essential to the production of various chemicals, drugs, and fuel oils. Due to its toxicity and carcinogenicity, much recent attention has been focused on benzene biodegradation, especially in the absence of molecular oxygen. However, the mechanism by which anaerobic benzene biodegradation occurs is still unclear. This is because until the recent isolation of Dechloromonas strains JJ and RCB no organism that anaerobically degraded benzene ...

  6. Are there Efimov trimers in hexafluorobenzene rather than in benzene vapor itself?

    International Nuclear Information System (INIS)

    Is there a spectroscopic method to detect an Efimov state? Following our proposal of an Efimov state arising from three pseudo bosons (generalized Cooper pairs) in benzene, our spectroscopic studies have found no evidence of Efimov trimers (ET) in h6- or d6-benzene. However, hexafluoro-benzene has shown peaks that we attributed to ET and the pseudo bosons. The experimental evidence suggests that benzene pseudo bosons and subsequently ET are quite sensitive to the surroundings

  7. Electrochemical study of benzene on Pt of various surface structures in alkaline and acidic solutions

    OpenAIRE

    Montilla Jiménez, Francisco; Morallón Núñez, Emilia; Vázquez Picó, José Luis

    2002-01-01

    The electrochemical behaviour of benzene on platinum electrodes (polycrystalline and single-crystal electrodes) has been studied in acidic and alkaline solutions. In acid solutions the reduction of benzene to cyclohexane takes place in all the platinum surface structure employed, however it does not occur in alkaline media (0.1 M NaOH). In this case, the hydrogen adsorption/desorption processes displace the adsorbed benzene from the electrode surface. The oxidation of benzene is also af...

  8. Carcinogenic Effects of Benzene: An Update (1997 External Review Draft)

    Science.gov (United States)

    In 1992, the U.S. Environmental Protection Agency's (EPA's) Office of Mobile Sources (OMS) requested the National Center for Environmental Assessment (NCEA) to provide an updated characterization of the cancer risk of benzene to humans. The previous characterization of the carcin...

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

    International Nuclear Information System (INIS)

    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. (paper)

  10. Upstream petroleum industry glycol dehydrator benzene emissions status report

    International Nuclear Information System (INIS)

    The population of dehydrators referred to are located in the Western Sedimentary Basin in northeast British Columbia, Alberta and Saskatchewan, and includes units installed at wellsites, compressor stations, gas plants, central crude oil treating facilities, and reservoir or salt cavern gas storage facilities. Benzene emissions from the still column vent on glycol dehydrators occur as a result of glycol's strong affinity for aromatic hydrocarbons, including benzene. A study was carried out to: 1) develop a list of oil and gas companies operating in Canada, 2) develop an equipment and benzene emissions inventory of glycol dehydrators, 3) develop a database in Microsoft Access format to gather and maintain inventory and emission data, 4) evaluate and validate at least 10% of the reported data, 5) develop a list of companies that manufacture dehydrators and incinerators to determine how many new dehydrators were sold for use in Canada in 1998, and 6) prepare a report summarizing findings and recommendations. The companies included in the survey were the oil and gas companies identified by the Nickels' Oil and Gas Index and others provided by CAPP, CGA, and SEPAC. The project was carried out to gather glycol dehydrator equipment and still column vent benzene emissions information. 8 refs

  11. Degradation of benzene and other aromatic hydrocarbons by anaerobic bacteria

    NARCIS (Netherlands)

    Weelink, S.A.B.

    2008-01-01

    Accidental spills, industrial discharges and gasoline leakage from underground storage tanks have resulted in serious pollution of the environment with monoaromatic hydrocarbons, such as benzene, toluene, ethylbenzene and xylene (so-called BTEX). High concentrations of BTEX have been detected in soi

  12. The ototoxic effects of ethyl benzene in rats

    NARCIS (Netherlands)

    Cappaert, N.L.M.; Klis, S.F.L.; Muijser, H.; Groot, J.C.M.J. de; Kulig, B.M.; Smoorenburg, G.F.

    1999-01-01

    Exposure to organic solvents has been shown to be ototoxic in animals and there is evidence that these solvents can induce hearing loss in humans. In this study, the effects of inhalation of the possibly ototoxic solvent ethyl benzene on the cochlear function and morphology were evaluated using thre

  13. Extraction of cadmium thiocyanate complex by tributyl phosphate in benzene

    Energy Technology Data Exchange (ETDEWEB)

    Singh, D.; Tandon, S.N. (Roorkee Univ. (India). Dept. of Chemistry)

    1981-09-01

    The extraction of cadmium thiocyanate complex has been studied in benzene solution of tri-n-butyl phosphate. The species extracted is shown to be Cd(SCN)X.4TBP, where X is a common anion. The extraction data have also been used for achieving some metal ion separation.

  14. Selective Oxidation of Benzene to Phenol. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Sherif, F.; Kung, H.; Marshall, C.

    2000-09-30

    Direct catalytic oxidation of commodity aromatics to phenolic compounds was studied by a team from Akzo Nobel Chemicals, Argonne National Lab., and Northwestern University. Results did not exceed previously published performance. The object of the project was to selectively oxidize benzene to phenol using a conventional oxidant.

  15. 40 CFR 80.1295 - How are gasoline benzene credits used?

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 16 2010-07-01 2010-07-01 false How are gasoline benzene credits used... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Averaging, Banking and Trading (abt) Program § 80.1295 How are gasoline benzene credits used? (a) Credit use. (1) Gasoline...

  16. 40 CFR 80.1225 - Who must register with EPA under the gasoline benzene program?

    Science.gov (United States)

    2010-07-01

    ... gasoline benzene program? 80.1225 Section 80.1225 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene General Information § 80.1225 Who must register with EPA under the gasoline benzene program? (a) Refiners...

  17. 40 CFR 80.1358 - What acts are prohibited under the gasoline benzene program?

    Science.gov (United States)

    2010-07-01

    ... gasoline benzene program? 80.1358 Section 80.1358 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Violations and Penalties § 80.1358 What acts are prohibited under the gasoline benzene program? No person shall—...

  18. 40 CFR 80.1361 - What penalties apply under the gasoline benzene program?

    Science.gov (United States)

    2010-07-01

    ... gasoline benzene program? 80.1361 Section 80.1361 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Violations and Penalties § 80.1361 What penalties apply under the gasoline benzene program? (a) Any person liable for...

  19. 40 CFR 80.1290 - How are standard benzene credits generated?

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 16 2010-07-01 2010-07-01 false How are standard benzene credits... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Averaging, Banking and Trading (abt) Program § 80.1290 How are standard benzene credits generated? (a) The standard credit...

  20. 40 CFR 721.1325 - Benzene, 1-(1-methyl-bu-toxy)-4-nitro-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, 1-(1-methyl-bu-toxy)-4-nitro... Substances § 721.1325 Benzene, 1-(1-methyl-bu-toxy)-4-nitro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene, 1-(1-methylbutoxy)-4-nitro- (PMN...

  1. 40 CFR 721.9595 - Alkyl benzene sulfonic acids and alkyl sulfates, amine salts (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkyl benzene sulfonic acids and alkyl... Significant New Uses for Specific Chemical Substances § 721.9595 Alkyl benzene sulfonic acids and alkyl...) The chemical substances identified generically as alkyl benzene sulfonic acids and alkyl...

  2. 40 CFR 80.1354 - What are the reporting requirements for the gasoline benzene program?

    Science.gov (United States)

    2010-07-01

    ... for the gasoline benzene program? 80.1354 Section 80.1354 Protection of Environment ENVIRONMENTAL... Benzene Recordkeeping and Reporting Requirements § 80.1354 What are the reporting requirements for the gasoline benzene program? (a) Beginning with earliest applicable date specified in § 80.1347(a)(2),...

  3. 40 CFR 721.1193 - Benzene, 2-bromo-1,4-dimethoxy-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, 2-bromo-1,4-dimethoxy-. 721... Substances § 721.1193 Benzene, 2-bromo-1,4-dimethoxy-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene, 2-bromo-1,4-dimethoxy- (PMN...

  4. 40 CFR 80.1275 - How are early benzene credits generated?

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 16 2010-07-01 2010-07-01 false How are early benzene credits... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Averaging, Banking and Trading (abt) Program § 80.1275 How are early benzene credits generated? (a) For each averaging period...

  5. 40 CFR 721.10096 - Benzene, 1,4-bis (methoxymethyl)-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, 1,4-bis (methoxymethyl)-. 721... Substances § 721.10096 Benzene, 1,4-bis (methoxymethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene, 1,4-bis (methoxymethyl)- (PMN...

  6. 40 CFR 721.1580 - Disubstituted benzene ether, polymer with substituted phenol (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Disubstituted benzene ether, polymer... Significant New Uses for Specific Chemical Substances § 721.1580 Disubstituted benzene ether, polymer with... chemical substance generically identified as disubstituted benzene ether, polymer with substituted...

  7. Toxicogenomic analysis of gene expression changes in rat liver after a 28-day oral benzene exposure

    NARCIS (Netherlands)

    Heijne, W.H.M.; Jonker, D.; Stierum, R.H.; Ommen, B. van; Groten, J.P.

    2005-01-01

    Benzene is an industrial chemical, component of automobile exhaust and cigarette smoke. After hepatic bioactivation benzene induces bone marrow, blood and hepatic toxicity. Using a toxicogenomics approach this study analysed the effects of benzene at three dose levels on gene expression in the liver

  8. 40 CFR 80.1235 - What gasoline is subject to the benzene requirements of this subpart?

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 16 2010-07-01 2010-07-01 false What gasoline is subject to the... PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Gasoline Benzene Gasoline Benzene Requirements § 80.1235 What gasoline is subject to the benzene requirements...

  9. Low-temperature heat capacity of the azeotropic mixture composed of water+ethanol+benzene

    International Nuclear Information System (INIS)

    Molar heat capacity of the azeotropic mixture composed of water, ethanol, and benzene was measured by an adiabatic calorimeter from 80 to 320 K. The glass transition and phase transitions of the mixture were determined based on the curve of the heat capacity with respect to temperature. The glass transition occurred at 102.850 K. The phase transitions took place in temperature ranges 140-155 K and 265-280 K corresponding to the solid-liquid phase transitions of ethanol, water and benzene, respectively. The corresponding enthalpies and entropies of the phase transition were calculated to be 0.4157 kJ mol-1, 2.824 J K-1 mol-1; 1.293 kJ mol-1, 4.692 J K-1 mol-1; 4.876 kJ mol-1, 17.67 J K-1 mol-1; respectively. The thermodynamic functions and the excess thermodynamic functions of the mixture relative to temperature 298.15 K were derived based on the relationships of the thermodynamic functions and the function of the measured heat capacity with respect to temperature

  10. Integrative approach to delineate natural attenuation of chlorinated benzenes in anoxic aquifers

    International Nuclear Information System (INIS)

    Biodegradation of chlorobenzenes was assessed at an anoxic aquifer by combining hydrogeochemistry and stable isotope analyses. In situ microcosm analysis evidenced microbial assimilation of chlorobenzene (MCB) derived carbon and laboratory investigations asserted mineralization of MCB at low rates. Sequential dehalogenation of chlorinated benzenes may affect the isotope signature of single chlorobenzene species due to simultaneous depletion and enrichment of 13C, which complicates the evaluation of degradation. Therefore, the compound-specific isotope analysis was interpreted based on an isotope balance. The enrichment of the cumulative isotope composition of all chlorobenzenes indicated in situ biodegradation. Additionally, the relationship between hydrogeochemistry and degradation activity was investigated by principal component analysis underlining variable hydrogeochemical conditions associated with degradation activity at the plume scale. Although the complexity of the field site did not allow straightforward assessment of natural attenuation processes, the application of an integrative approach appeared relevant to characterize the in situ biodegradation potential. - Lines of evidence for in situ biodegradation of chlorinated benzenes in an anoxic aquifer by combining hydrogeochemical and stable isotope data with multivariate statistics.

  11. A comprehensive study of benzene concentrations and emissions in Houston

    Science.gov (United States)

    Müller, Markus; Eichler, Philipp; Berk Knighton, W.; Estes, Mark; Crawford, James H.; Mikoviny, Tomas; Wisthaler, Armin

    2014-05-01

    The Houston Metropolitan Area (Greater Houston) has a population of over 6 million people, it ranks among the three fastest growing metropolises in the developed world and population growth scenarios predict it to reach megacity status in the coming two to four decades. Greater Houston is home to the largest petrochemical-manufacturing complex in the world with important consequences for the environment in the region. Direct and fugitive emissions of hydrocarbons adversely affect Houston's air quality which has been subject to intense studies over the past two decades. In 2013, NASA conducted the DISCOVER-AQ field campaign in support of developing a satellite-based capability to assess Houston's air quality in the future. Amongst other measurements, airborne, mobile ground-based and stationary ground-based measurements of benzene were carried out. Benzene is a carcinogenic air toxic with strict exposure regulations in the U.S. and in Europe. We have used the obtained comprehensive dataset to map benzene concentrations in the Houston metropolitan area, locate and identify point sources, compare industrial and traffic emissions and put them in relation to previous measurements and emission inventories. The obtained data will allow a better assessment of health risks associated with benzene exposure in a large metropolitan area that includes both traffic and industrial benzene sources. This work was funded by BMVIT / FFG-ALR in the frame of the Austrian Space Application Programme (ASAP 8, project 833451). PE was funded through the PIMMS ITN (EU-FP7, agreement number 287382). Additional resources were provided through NASA's Earth Venture program (EV-1) and the NASA Postdoctoral Program (NPP). We want to thank Scott Herndon and Aerodyne Research for their support.

  12. Electron transport in single molecules: from benzene to graphene.

    Science.gov (United States)

    Chen, F; Tao, N J

    2009-03-17

    Electron movement within and between molecules--that is, electron transfer--is important in many chemical, electrochemical, and biological processes. Recent advances, particularly in scanning electrochemical microscopy (SECM), scanning-tunneling microscopy (STM), and atomic force microscopy (AFM), permit the study of electron movement within single molecules. In this Account, we describe electron transport at the single-molecule level. We begin by examining the distinction between electron transport (from semiconductor physics) and electron transfer (a more general term referring to electron movement between donor and acceptor). The relation between these phenomena allows us to apply our understanding of single-molecule electron transport between electrodes to a broad range of other electron transfer processes. Electron transport is most efficient when the electron transmission probability via a molecule reaches 100%; the corresponding conductance is then 2e(2)/h (e is the charge of the electron and h is the Planck constant). This ideal conduction has been observed in a single metal atom and a string of metal atoms connected between two electrodes. However, the conductance of a molecule connected to two electrodes is often orders of magnitude less than the ideal and strongly depends on both the intrinsic properties of the molecule and its local environment. Molecular length, means of coupling to the electrodes, the presence of conjugated double bonds, and the inclusion of possible redox centers (for example, ferrocene) within the molecular wire have a pronounced effect on the conductance. This complex behavior is responsible for diverse chemical and biological phenomena and is potentially useful for device applications. Polycyclic aromatic hydrocarbons (PAHs) afford unique insight into electron transport in single molecules. The simplest one, benzene, has a conductance much less than 2e(2)/h due to its large LUMO-HOMO gap. At the other end of the spectrum, graphene

  13. Supplementary measurements for air monitoring under NOVANA - Benzene and PAH; Supplerende maalinger til luftovervaagning under NOVANA - benzen og PAH

    Energy Technology Data Exchange (ETDEWEB)

    Ellermann, T.; Klenoe Noejgaard, J.; Bossi, R.

    2011-10-15

    The report presents results from a project carried out for the Danish Environmental Protection Agency. The aim of the project was to carry out several measuring campaigns in order to be able to better assess the monitoring needs for PAH and benzene in relation to EU's air quality directives. The results show that the mean concentrations of benzene are almost at the same level in Denmark's four largest cities, and that the concentrations are both below the threshold value (5mug/m3) as well as below the lower assessment threshold (2mug/m3). The report presents a method for objectively estimation the benzene concentration based on measurements of CO. The method can be applied to fulfil the monitoring need for benzene in those zones where no measurements of benzene are made. Measurements of PAH, especially benzo(a)pyrene, have been made during 12 months in the period 2010-2011 in an area with many wood burning furnaces are used (the town Jyllinge). The concentrations of benzo(a)pyrene in Jyllinge is almost three times higher than in the street H.C. Andersens Boulevard in Copenhagen. The concentrations of benzo(a)pyrene in Jylllinge are 0,6 ng/m3, which corresponds to the upper assessment threshold (0,6 ng/m3) and is 40% below the measuring value (1 ng/m3). On this basis, there is a need for re-evaluating the monitoring of PAH in the sub-programme for air under NOVANA. Measurements of PM{sub 10} showed that the levels in the towns Jyllinge, Lille Valby/Risoe and at the H.C. Oersted Institute in Copenhagen are all at about 20-22 mug/m3. (LN)

  14. Synthesis and nucleophilic aromatic substitution of 3-fluoro-5-nitro-1-(pentafluorosulfanyl)benzene.

    Science.gov (United States)

    Ajenjo, Javier; Greenhall, Martin; Zarantonello, Camillo; Beier, Petr

    2016-01-01

    3-Fluoro-5-nitro-1-(pentafluorosulfanyl)benzene was prepared by three different ways: as a byproduct of direct fluorination of 1,2-bis(3-nitrophenyl)disulfane, by direct fluorination of 4-nitro-1-(pentafluorosulfanyl)benzene, and by fluorodenitration of 3,5-dinitro-1-(pentafluorosulfanyl)benzene. The title compound was subjected to a nucleophilic aromatic substitution of the fluorine atom with oxygen, sulfur and nitrogen nucleophiles affording novel (pentafluorosulfanyl)benzenes with 3,5-disubstitution pattern. Vicarious nucleophilic substitution of the title compound with carbon, oxygen, and nitrogen nucleophiles provided 3-fluoro-5-nitro-1-(pentafluorosulfanyl)benzenes substituted in position four. PMID:26977178

  15. The Grand Canonical Monte Carlo Simulations of Benzene and Propylene in ITQ-1 Zeolite

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Grand Canonical Monte Carlo (GCMC) simulations have been performed to study the localization and adsorption behavior of benzene and propylene, in purely siliceous MWW zeolite (ITQ-1). By analyzing the locations of benzene and propylene in ITQ-1, it can be deduced that the alkylation of benzene and propylene will mainly happen in 12-MR supercages at the external surface or close to the external surface. The adsorption isotherms of benzene and propylene at 315K and 0~3.5kPa are predicted, and the results for benzene generally coincide with the trend from the experiments of a series of aromatic compounds.

  16. Product formation from thiophene by a mixed bacterial culture. Influence of benzene as growth substrate

    DEFF Research Database (Denmark)

    Rivas, Isabelle Marie; Mosbæk, Hans; Arvin, Erik

    2003-01-01

    The influence of benzene as a growth substrate on the cometabolic conversion of thiophene was investigated in batch systems with microorganisms originating from an creosote contaminated site. Benzene was shown to stimulate the conversion of thiophene with a first-order rate, during the initial...... phase of transformation. The microorganisms were able to transform thiophene in the absence of benzene at a zero-order rate. Thiophene was converted to five oxidation products, regardless of the presence of benzene. Benzene had no influence on the distribution of these oxidation products. The main...

  17. In-situ Investigation of BBr_3/benzene Solution by Fourier Transformation Infrared Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    YU Li-li; GAI Li-gang; CUI De-Hang; WANG Qi-long

    2009-01-01

    By means of the in-situ Fourier transformation infrared spectroscopy(FTIR), the properties of BBr_3/ benzene solution, which is usually used as the reactant and solution to synthesize BN by benzene-thermal method, have been investigated. The results show that there are some side reactions between BBr_3 and benzene: (1) BBr_3 as an electron-deficient molecule reacts with benzene at room temperature; (2) below 100℃, substitution of Br atom for H atom of benzene(ring-H) dominates in BBr_3/benzene solution; (3) cracking of benzene ring occurs at a temperature above 100℃; (4) decomposition of benzene molecules and formation of long-chain aliphatic compounds feature the spectra of BBr_3/benzene solution collected at above 160℃. They are unfavor for BN to form when BBr_3 is excessive in the synthesis of BN by benzene-thermal route. On the basis of the experimental results, a coordination reaction mechanism via a η~2-C_6H_6 binding mode in BBr_3/benzene solution is suggested.

  18. Experimental study of removing benzene from indoor air by needle-matrix to plate streamer discharge

    International Nuclear Information System (INIS)

    The degradation of benzene by needle-matrix to plate streamer discharge was investigated at normal temperature and pressure in indoor air. The effects of benzene initial concentration, air speed, discharge power and relative humidity (RH) on benzene removal rate were systematically studied. Meanwhile, the benzene removal efficiencies by adding MnO2/SiO2-active carbon catalyst to the system were also studied. The results showed that the benzene removal rate increased with the rise of the air speed and discharge power, decreased with the rise of the benzene initial concentration, and firstly increased and then decreased with the rise of the of RH. Under the same experimental conditions, adding MnO2 catalyst to the system did not significantly improve the removal efficiency of benzene.

  19. Assessment of benzene induced oxidative impairment in rat isolated pancreatic islets and effect on insulin secretion.

    Science.gov (United States)

    Bahadar, Haji; Maqbool, Faheem; Mostafalou, Sara; Baeeri, Maryam; Rahimifard, Mahban; Navaei-Nigjeh, Mona; Abdollahi, Mohammad

    2015-05-01

    Benzene (C6H6) is an organic compound used in petrochemicals and numerous other industries. It is abundantly released to our environment as a chemical pollutant causing widespread human exposure. This study mainly focused on benzene induced toxicity on rat pancreatic islets with respect to oxidative damage, insulin secretion and glucokinase (GK) activity. Benzene was dissolved in corn oil and administered orally at doses 200, 400 and 800mg/kg/day, for 4 weeks. In rats, benzene significantly raised the concentration of plasma insulin. Also the effect of benzene on the release of glucose-induced insulin was pronounced in isolated islets. Benzene caused oxidative DNA damage and lipid peroxidation, and also reduced the cell viability and total thiols groups, in the islets of exposed rats. In conclusion, the current study revealed that pancreatic glucose metabolism is susceptible to benzene toxicity and the resultant oxidative stress could lead to functional abnormalities in the pancreas. PMID:25935538

  20. Identification of genes specifically required for the anaerobic metabolism of benzene in Geobacter metallireducens

    DEFF Research Database (Denmark)

    Zhang, Tian; Tremblay, Pier-Luc; Chaurasia, Akhilesh Kumar;

    2014-01-01

    Although the biochemical pathways for the anaerobic degradation of many of the hydrocarbon constituents in petroleum reservoirs have been elucidated, the mechanisms for anaerobic activation of benzene, a very stable molecule, are not known. Previous studies have demonstrated that Geobacter...... metallireducens can anaerobically oxidize benzene to carbon dioxide with Fe(III) as the sole electron acceptor and that phenol is an intermediate in benzene oxidation. In an attempt to identify enzymes that might be involved in the conversion of benzene to phenol, whole-genome gene transcript abundance was...... compared in cells metabolizing benzene and cells metabolizing phenol. Eleven genes had significantly higher transcript abundance in benzene-metabolizing cells. Five of these genes had annotations suggesting that they did not encode proteins that could be involved in benzene metabolism and were not further...

  1. Molecular Simulations of Adsorption and Diffusion Behaviors of Benzene Molecules in NaY Zeolite%NaY分子筛中苯分子吸附和扩散行为的分子模拟

    Institute of Scientific and Technical Information of China (English)

    张舟; 刘辉; 朱吉钦; 陈标华; 田辉平; 贺振富

    2009-01-01

    In the article the Grand Canonical Monte Carlo (GCMC), molecular dynamics (MD), and kinetic Monte Carlo (KMC) simulations with particular focus on ascertaining the loading dependence of benzene diffusion in the zeolite were performed. First, a realistic representation of the structure of the sorbate-sorbent system was obtained based on GCMC simulation. The simulation clearly shows the characteristics of the adsorption sites of the benzene-NaY system, from which two kinds of preferably adsorbing sites for benzene moleculcs, called SⅡ and W sites, are identified. The structure thus obtained was then used as a basis for KMC and MD simulations. A compara-tive study by introducing and comparing two different mechanisms underlying jump diffusion in the zeolite of in-terest shows that the MS diffusivity values predicted by the KMC and MD methods are fairly close to each other, leading to the conclusion that for benzene diffusion in NaY, the Su→W→SⅡ jumps of benzene molecules are dominated, while the W→W jumps do not exist in the process. These findings provide further support to our previous conclusion about the absence of the W→W jumps in the process of benzene diffusion in NaY. Finally, two relations for predicting the self-and MS diffusivities were derived and found to be in fair agreement with the KMC and MD simulations.

  2. A mechanistic study on the reaction pathways leading to benzene and naphthalene in cellulose vapor phase cracking

    International Nuclear Information System (INIS)

    The reaction pathways leading to aromatic hydrocarbons such as benzene and naphthalene in gas-phase reactions of multi-component mixtures derived from cellulose fast pyrolysis were studied both experimentally and numerically. A two-stage tubular reactor was used for evaluating the reaction kinetics of secondary vapor phase cracking of the nascent pyrolysates at temperature ranging from 400 to 900 °C, residence time from 0.2 to 4.3 s, and at 241 kPa. The products of alkyne and diene were identified from the primary pyrolysis of cellulose even at low temperature range 500–600 °C. These products include acetylene, propyne, propadiene, vinylacetylene, and cyclopentadiene. Experiments were also numerically validated by a detailed chemical kinetic model consisting of more than 8000 elementary step-like reactions with over 500 chemical species. Acceptable capabilities of the kinetic model in predicting concentration profiles of the products enabled us to assess reaction pathways leading to benzene and naphthalene via the alkyne and diene from primary pyrolysates of cellulose. C3 alkyne and diene are primary precursors of benzene at 650 °C, while combination of ethylene and vinylacetylene produces benzene dominantly at 850 °C. Cyclopentadiene is a prominent precursor of naphthalene. Combination of acetylene with propyne or allyl radical leads to the formation of cyclopentadiene. Furan and acrolein are likely important alkyne precursors in cellulose pyrolysis at low temperature, whereas dehydrogenations of olefins are major route to alkyne at high temperatures. - Highlights: • Analytical pyrolysis experiments provided data for kinetic modeling. • Detailed chemical kinetic model was used and evaluated. • Alkyne and diene were important intermediates for aromatic hydrocarbon formation. • Reaction pathways leading to aromatic hydrocarbons were proposed

  3. 40 CFR 80.1240 - How is a refinery's or importer's compliance with the gasoline benzene requirements of this...

    Science.gov (United States)

    2010-07-01

    ... compliance with the gasoline benzene requirements of this subpart determined? 80.1240 Section 80.1240... FUELS AND FUEL ADDITIVES Gasoline Benzene Gasoline Benzene Requirements § 80.1240 How is a refinery's or importer's compliance with the gasoline benzene requirements of this subpart determined? (a) A...

  4. 40 CFR 80.1334 - What are the requirements for early compliance with the gasoline benzene program?

    Science.gov (United States)

    2010-07-01

    ... compliance with the gasoline benzene program? 80.1334 Section 80.1334 Protection of Environment ENVIRONMENTAL... Benzene Hardship Provisions § 80.1334 What are the requirements for early compliance with the gasoline benzene program? (a)(1) A refinery may comply with the benzene requirements at § 80.1230 for its RFG...

  5. Integrative approach to delineate natural attenuation of chlorinated benzenes in anoxic aquifers.

    Science.gov (United States)

    Stelzer, Nicole; Imfeld, Gwenaël; Thullner, Martin; Lehmann, Jürgen; Poser, Alexander; Richnow, Hans-H; Nijenhuis, Ivonne

    2009-06-01

    Biodegradation of chlorobenzenes was assessed at an anoxic aquifer by combining hydrogeochemistry and stable isotope analyses. In situ microcosm analysis evidenced microbial assimilation of chlorobenzene (MCB) derived carbon and laboratory investigations asserted mineralization of MCB at low rates. Sequential dehalogenation of chlorinated benzenes may affect the isotope signature of single chlorobenzene species due to simultaneous depletion and enrichment of (13)C, which complicates the evaluation of degradation. Therefore, the compound-specific isotope analysis was interpreted based on an isotope balance. The enrichment of the cumulative isotope composition of all chlorobenzenes indicated in situ biodegradation. Additionally, the relationship between hydrogeochemistry and degradation activity was investigated by principal component analysis underlining variable hydrogeochemical conditions associated with degradation activity at the plume scale. Although the complexity of the field site did not allow straightforward assessment of natural attenuation processes, the application of an integrative approach appeared relevant to characterize the in situ biodegradation potential. PMID:19250727

  6. Thermodynamic investigation on the azeotropic mixture composed of water + n-propanol + benzene

    International Nuclear Information System (INIS)

    Molar heat capacity of the azeotropic mixture composed of water, n-propanol, and benzene was measured by an adiabatic calorimeter from 79 to 320 K. The glass transition and melting processes of the mixture were determined based on the curve of the heat capacity with respect to temperature. The glass transition occurred at 101.920 K. The melting processes took place in temperature ranges 258-268 and 268-279 K. The corresponding melting enthalpies and entropies were calculated to be 1.474 kJ mol-1, 5.508 J K-1 mol-1; 6.144 kJ mol-1, 22.28 J K-1 mol-1, respectively. The thermodynamic functions and the excess thermodynamic functions of the mixture relative to temperature 298.15 K were derived based on the relationships of the thermodynamic functions and the function of the measured heat capacity with respect to temperature

  7. Molecular Dynamics Investigation of Benzene in Supercritical Water

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Microscopic structure and diffusion properties of benzene in ambient water (298 K, 0.1 MPa) and super critical water (673-773 K, 25-35 MPa) are investigated by molecular dynamics simulation with site-site models. It is found that at the ambient condition, the water molecules surrounding a benzene molecule form a hydrogen bond network. The hydrogen bond interaction between supercritical water molecules decreases dramatically under supercritical conditions. The diffusion coefficients of both the solute molecule and solvent molecule at supercritical conditions increase by 30-180 times than those at the ambient condition. With the temperature approaching the critical temperature, the change of diffusion coefficient with pressure becomes pronounced.

  8. Benzene leaks in sight; Benzeenlekken in het vizier

    Energy Technology Data Exchange (ETDEWEB)

    Okkerse, W.J.; Van Doorn, R.; Bison, H. [DCMR Milieudienst Rijnmond, Rotterdam (Netherlands)

    2013-02-15

    About five years ago, elevated concentrations of benzene were detected at air measuring stations of the DCMR Environmental Protection Agency in the Botlek area, the Netherlands. Extensive research of potential sources in industry followed. A wide range of advanced techniques were deployed. A smart combination of techniques has ultimately resulted in the identification and clean-up of the benzene sources. A bright future is anticipated for these techniques [Dutch] Ongeveer vijf jaar geleden werden rond het Botlekgebied verhoogde benzeenconcentraties geconstateerd op luchtmeetstations van de DCMR Milieudienst Rijnmond. Een uitgebreid onderzoek naar de potentiele bronnen in de industrie was het gevolg. Daarbij is een scala aan geavanceerde technieken ingezet. Toepassing van een slimme combinatie van technieken heeft er uiteindelijk toe geleid dat benzeenbronnen werden opgespoord en gesaneerd. Een grote toekomst wordt voorzien voor deze technieken.

  9. Catalytic transformation of methyl benzenes over zeolite catalysts

    KAUST Repository

    Al-Khattaf, S.

    2011-02-01

    Catalytic transformation of three methyl benzenes (toluene, m-xylene, and 1,2,4-trimethyl benzene) has been investigated over ZSM-5, TNU-9, mordenite and SSZ-33 catalysts in a novel riser simulator at different operating conditions. Catalytic experiments were carried out in the temperature range of 300-400 °C to understand the transformation of these alkyl benzenes over large pore (mordenite and SSZ-33) in contrast to medium-pore (ZSM-5 and TNU-9) zeolite-based catalysts. The effect of reaction conditions on the isomerization to disproportionation product ratio, distribution of trimethylbenzene (TMB) isomers, and p-xylene/o-xylene ratios are reported. The sequence of reactivity of the three alkyl benzenes depends upon the pore structure of zeolites. The zeolite structure controls primarily the diffusion of reactants and products while the acidity of these zeolites is of a secondary importance. In the case of medium pore zeolites, the order of conversion was m-xylene > 1,2,4-TMB > toluene. Over large pore zeolites the order of reactivity was 1,2,4-TMB > m-xylene > toluene for SSZ-33 catalyst, and m-xylene ∼ 1,2,4-TMB > toluene over mordenite. Significant effect of pore size between ZSM-5 and TNU-9 was observed; although TNU-9 is also 3D 10-ring channel system, its slightly larger pores compared with ZSM-5 provide sufficient reaction space to behave like large-pore zeolites in transformation of aromatic hydrocarbons. We have also carried out kinetic studies for these reactions and activation energies for all three reactants over all zeolite catalysts under study have been calculated. © 2011 Elsevier B.V.

  10. Atomic Structure of Benzene Which Accounts for Resonance Energy

    OpenAIRE

    Heyrovska, Raji

    2008-01-01

    Benzene is a hexagonal molecule of six carbon atoms, each of which is bound to six hydrogen atoms. The equality of all six CC bond lengths, despite the alternating double and single bonds, and the surplus (resonance) energy, led to the suggestion of two resonanting structures. Here, the new atomic structure shows that the bond length equality is due to three carbon atoms with double bond radii bound to three other carbon atoms with resonance bond radii (as in graphene). Consequently, there ar...

  11. Degradation of benzene and other aromatic hydrocarbons by anaerobic bacteria

    OpenAIRE

    Weelink, S.A.B.

    2008-01-01

    Accidental spills, industrial discharges and gasoline leakage from underground storage tanks have resulted in serious pollution of the environment with monoaromatic hydrocarbons, such as benzene, toluene, ethylbenzene and xylene (so-called BTEX). High concentrations of BTEX have been detected in soils, sediments and groundwater. The mobility and toxicity of the BTEX compounds are of major concern. In situ bioremediation of BTEX by using naturally occurring microorganisms or introduced microor...

  12. ADSORPTION OF WATER AND BENZENE VAPOUR IN MESOPOROUS MATERIALS

    OpenAIRE

    Paulina Taba

    2008-01-01

    Mesoporous materials have attracted the attention of many researchers due to the potential applications promised by the materials. This article discusses adsorption of water and benzene vapour in mesoporous materials (mesoporous silica: MCM-41, MCM-48 and their modification). MCM-41 and MCM-48 were synthesized hydrothermally at 100 oC using cethyltrimethylammonium chloride or dodecyltrimethylammonium bromide for MCM-41 (C16) or MCM-41 (C12) respectively and a mixture of cethyltrimethylammoniu...

  13. Pure Benzene Will Be Serous Short of Supply

    Institute of Scientific and Technical Information of China (English)

    John Zheng

    2007-01-01

    @@ Benzene is one of the important ba-sic raw materials for petrochemicals.It can be used to synthesize a seriesof important chemical products suchas synthetic rubbers, synthetic resins,synthetic fibers, pharmaceuticals,pesticides, explosives and dyestuffs.It can also be used as a solvent forcoatings and rubbers and as a blend-ing agent to increase gasoline's oc-tane number in the refining sector.

  14. LED Irradiation of a Photocatalyst for Benzene, Toluene, Ethyl Benzene,and Xylene Decomposition%LED Irradiation of a Photocatalyst for Benzene,Toluene,Ethyl Benzene,and Xylene Decomposition

    Institute of Scientific and Technical Information of China (English)

    JO Wan-Kuen; KANG Hyun-Jung

    2012-01-01

    Studies on the use of gas phase applications of light emitting diodes (LEDs) in photocatalysis are scarce although their photocatalytic decomposition kinetics of environmental pollutants are likely different from those in aqueous solutions.The present study evaluated the use of chips of visible light LEDs to irradiate nitrogen doped titania (N-TiO2) prepared by hydrolysis to decompose gaseous benzene,toluene,ethyl benzene,m-xylene,p-xylene,and o-xylene.Photocatalysts calcined at different temperatures were characterized by various analytical instruments.The degradation efficiency of benzene was close to zero for all conditions.For the other compounds,a conventional 8 W daylight lamp/N-TiO2 unit gave a higher photocatalytic degradation efficiency as compared with that of visible-LED/N-TiO2 units.However,the ratios of degradation efficiency to electric power consumption were higher for the photocatalytic units that used two types of visible-LED lamps (blue and white LEDs).The highest degradation efficiency was observed with the use of a calcination temperature of 350 ℃.The average degradation efficiencies for toluene,ethyl benzene,m-xylene,p-xylene,and o-xylene were 35%,68%,94%,and 93%,respectively.The use of blue-and white-LEDs,high light intensity,and low initial concentrations gave high photocatalytic activities for the photocatalytic units using visible-LEDs.The morphological and optical properties of the photocatalysts were correlated to explain the dependence of photocatalytic activity on calcination temperature.The results suggest that visible-LEDs are energy efficient light source for photocatalytic gas phase applications,but the activity depends on the operational conditions.

  15. 2-Phenylimidazolium hemi(benzene-1,3-dicarboxylate monohydrate

    Directory of Open Access Journals (Sweden)

    Wen-Yu Zhang

    2011-08-01

    Full Text Available The asymmetric unit of the title compound, C9H9N2+·0.5C8H4O4−·H2O, contains one 2-phenylimidazolium cation, half a benzene-1,3-dicarboxylate anion and one water molecule. In the crystal, components are connected by N—H...O and O—H...O hydrogen-bonding interactions into a three-dimensional network.

  16. Dissociative electron attachment to laser-excited benzene

    International Nuclear Information System (INIS)

    We have conducted comprehensive measurements on enhanced electron attachment to ArF and KrF laser-excited benzene in the presence of Ar and N2 buffer gases. At both these laser lines, two-photon absorption leads to excitation of benzene to energies above its ionization potential. Such excitations have been shown to lead to a population of long-lived, core-excited high-Rydberg states in addition to the ionization of the molecule. Present measurements on the dependence of negative ion yield on laser fluence, benzene pressure, and applied electric field verify that the observed negative ion formation is due to the attachment of the photoelectrons to the concomitantly produced high-Rydberg states. Using a rate equation analysis, the electron attachment rate constant for the core-excited Rydberg states was estimated to be of the order of 10-4-10-3 cm3 s-1. Laser photoionization cross sections were also estimated, and the cross section at the KrF laser line is in agreement (author)

  17. Adsorption Of Water And Benzene Vapour In Mesoporous Materials

    Directory of Open Access Journals (Sweden)

    Paulina Taba

    2008-11-01

    Full Text Available Mesoporous materials have attracted the attention of many researchers due to the potential applications promised by the materials. This article discusses adsorption of water and benzene vapour in mesoporous materials (mesoporous silica: MCM-41, MCM-48 and their modification. MCM-41 and MCM-48 were synthesized hydrothermally at 100 oC using cethyltrimethylammonium chloride or dodecyltrimethylammonium bromide for MCM-41 (C16 or MCM-41 (C12 respectively and a mixture of cethyltrimethylammonium bromide and Triton X-100 for MCM-48 as templates. Their modifications were conducted by silylation of MCM-41 (C16 and MCM-48 with trimethylchloro silane (MCM16-TMCS and MCM48-TMCS and t-butyldimethylchloro silane (MCM16-TBDMCS and MCM48-TBDMCS. Results showed that MCM-41 and MCM-48 materials had hydrophobic features which were shown in the small amount of water adsorption at low P/P0. The hydrophobicity of samples used in this study decrease in the sequence: MCM-41 (C16 > MCM-48 > MCM-41 (C12. The hydrophobicity increased when MCM-41 and MCM-48 were silylated with TMCS or TBDMCS. All unsilylated MCM materials show higher affinity to benzene at low P/P0 than the silylated samples. The results of water and benzene adsorption showed that silylated samples are promising candidates as selective adsorbents for organic compounds.

  18. Methane from benzene in argon dielectric barrier discharge

    International Nuclear Information System (INIS)

    Highlights: ► Efficient on-line conversion of benzene to methane at room temperature. ► Absence of other H-atom donor suggests new type of chemistry. ► For parent loss > 90%, methane yield was ∼40% of limit due to H-atom availability. ► Surface moisture contributed ·OH radical for trace phenolic products’ formation. ► This method may emerge as an exploitable tactic for pollutants’ usable alterations. -- Abstract: A first-time account of direct, on-line, instantaneous and efficient chemical conversion of gas phase benzene to methane in argon Dielectric Barrier Discharge (DBD) is presented. In the absence of another overt hydrogen-donating source, potency of analogous parents toward methane generation is found to follow the order: benzene > toluene > p-xylene. Simultaneous production of trace amounts of phenolic surface deposits suggest (a) prompt decomposition of the parent molecules, including a large fraction yielding atomic transients (H-atom), (b) continuous and appropriate recombination of such parts, and (c) trace moisture in parent contributing ·OH radicals and additional H-atoms, which suitably react with the unreacted fraction of the parent, and also other intermediates. Results highlight Ar DBD to be a simple and exploitable technology for transforming undesirable hazardous aromatics to usable/useful low molecular weight open-chain products following the principles of green chemistry and engineering

  19. Adsorption of trichloroethylene and benzene vapors onto hypercrosslinked polymeric resin

    International Nuclear Information System (INIS)

    In this research, the adsorption equilibria of trichloroethylene (TCE) and benzene vapors onto hypercrosslinked polymeric resin (NDA201) were investigated by the column adsorption method in the temperature range from 303 to 333 K and pressures up to 8 kPa for TCE, 12 kPa for benzene. The Toth and Dubinin-Astakov (D-A) equations were tested to correlate experimental isotherms, and the experimental data were found to fit well by them. The good fits and characteristic curves of D-A equation provided evidence that a pore-filling phenomenon was involved during the adsorption of TCE and benzene onto NDA-201. Moreover, thermodynamic properties such as the Henry's constant and the isosteric enthalpy of adsorption were calculated. The isosteric enthalpy curves varied with the surface loading for each adsorbate, indicating that the hypercrosslinked polymeric resin has an energetically heterogeneous surface. In addition, a simple mathematic model developed by Yoon and Nelson was applied to investigate the breakthrough behavior on a hypercrosslinked polymeric resin column at 303 K and the calculated breakthrough curves were in high agreement with corresponding experimental data.

  20. STABILITY OF HEMOGLOBIN AND ALBUMIN ADDUCTS OF BENZENE OXIDE AND 1,4-BENZOQUINONE AFTER ADMINISTRATION OF BENZENE TO F344 RATS

    Science.gov (United States)

    The stability of cysteinyl adducts of benzene oxide (BO) and mono-S-substituted cysteinyl adducts of 1,4-benzoquinone (1,4-BQ) was investigated in both hemoglobin (Hb) and albumin (Alb) following administration of a single oral dose of 400 mg [U-14C/13C6]benzene/kg body weight ...

  1. INVESTIGATION OF BENZENE OXIDE IN BONE MARROW AND OTHER TISSUES OF F344 RATS FOLLOWING METABOLISM OF BENZENE IN VITRO AND IN VIVO

    Science.gov (United States)

    This study examines the initial activation of benzene, exploring key aspects of its metabolism by measurement of benzene oxide (BO) and BO-protein adducts in vitro and in vivo. To assess the potential influence of various factors on the production of BO, microsomes were prepare...

  2. Differences in the pathways for metabolism of benzene in rats and mice simulated by a physiological model.

    OpenAIRE

    Medinsky, M A; Sabourin, P J; Henderson, R F; Lucier, G; Birnbaum, L S

    1989-01-01

    Studies conducted by the National Toxicology Program on the chronic toxicity of benzene indicated that B6C3F1 mice were more sensitive to the carcinogenic effects of benzene than were F344 rats. A physiological model was developed to describe the uptake and metabolism of benzene in rats and mice. Our objective was to determine if differences in toxic effects could be explained by differences in pathways for benzene metabolism or by differences in total uptake of benzene. Compartments incorpor...

  3. Decreased levels of CXC-chemokines in serum of benzene-exposed workers identified by array-based proteomics

    OpenAIRE

    Vermeulen, Roel; Lan, Qing; Zhang, Luoping; Gunn, Laura; McCarthy, Diane; Woodbury, Ronald L; McGuire, Marielena; Podust, Vladimir N.; Li, Guilan; Chatterjee, Nilanjan; Mu, Ruidong; Yin, Songnian; Rothman, Nathaniel; Smith, Martyn T.

    2005-01-01

    Benzene is an important industrial chemical and environmental contaminant that causes leukemia. To obtain mechanistic insight into benzene's mechanism of action, we examined the impact of benzene on the human serum proteome in a study of exposed healthy shoe-factory workers and unexposed controls. Two sequential studies were performed, each using sera from 10 workers exposed to benzene (overall mean benzene air level >30 ppm) and 10 controls. Serum samples were subjected to anion-exchange fra...

  4. (η6-Benzene)(2,2′-bipyridine-κ2 N,N′)chloridoruthenium(II) chloride methanol sesquisolvate

    OpenAIRE

    Polson, Matthew I. J.

    2007-01-01

    In the title compound, [RuCl(C6H6)(C10H8N2)]Cl·1.5CH4O, the RuII atom is in a distorted octahedral environment coordinated by an η6-benzene ring, a chelating 2,2′-bipyridine ligand and a chloride ion. The asymmetric unit is completed by a chloride anion and two methanol molecules, one of which is disordered about a centre of inversion with an occupancy of 0.5. It is an example of a ruthenium complex with a less sterically congested environment than in similar derivatives. In t...

  5. Sorption of phenanthrene and benzene on differently structural kerogen: Important role of micropore-filling

    International Nuclear Information System (INIS)

    Shale was thermally treated to obtain a series of kerogen with varied maturation. Their chemical, structural and porous properties were related to the sorption and/or desorption behaviors of phenanthrene and benzene. As the treatment temperature increases, aliphatic and carbonyl carbon of the kerogen samples decrease, while their aromaticity and maturation increase. Meanwhile, the isothermal nonlinearity of phenanthrene and benzene increases whereas the sorption capacity and micropore adsorption volumes (Vo,d) initially increase and then decrease. The Vo,d of benzene is significantly correlated with, but higher than that of phenanthrene, suggesting similar micropore filling mechanism and molecular sieve effect. The benzene desorption exhibits hysteresis, which is related to the pore deformation of the kerogen and the entrapment of solute in the kerogen matrix. The Vo,d of phenanthrene and benzene on the kerogen samples accounts for 23–46% and 36–65% of the maximum sorption volumes, respectively, displaying the importance of the micropore filling. -- Highlights: • The microporosity estimated by benzene vapor differs greatly from that by N2. • The micropore volume changes with kerogen maturation. • The phenanthrene or benzene sorption is related to the microporosity of kerogen. • Higher adsorption volume for benzene than for phenanthrene suggests molecular sieve effect. • The pore-filling plays an important role in the sorption of phenanthrene and benzene. -- The sorption behaviors of benzene and phenanthrene are related to the microporosity of the differently matured kerogen, indicating the importance of pore-filling

  6. Current understandings and perspectives on non-cancer health effects of benzene: A global concern

    Energy Technology Data Exchange (ETDEWEB)

    Bahadar, Haji [International Campus, Tehran University of Medical Sciences (Iran, Islamic Republic of); Pharmaceutical Sciences Research Center and Faculty of Pharmacy, Tehran University of Medical Sciences (Iran, Islamic Republic of); Mostafalou, Sara [Pharmaceutical Sciences Research Center and Faculty of Pharmacy, Tehran University of Medical Sciences (Iran, Islamic Republic of); Abdollahi, Mohammad, E-mail: Mohammad.Abdollahi@UToronto.Ca [Pharmaceutical Sciences Research Center and Faculty of Pharmacy, Tehran University of Medical Sciences (Iran, Islamic Republic of)

    2014-04-15

    Objective: Benzene, as a volatile organic compound, is known as one of the main air pollutants in the environment. The aim of this review is to summarize all available evidences on non-cancerous health effects of benzene providing an overview of possible association of exposure to benzene with human chronic diseases, specially, in those regions of the world where benzene concentration is being poorly monitored. Methodology: A bibliographic search of scientific databases including PubMed, Google Scholar, and Scirus was conducted with key words of “benzene toxic health effects”, “environmental volatile organic compounds”, “diabetes mellitus and environmental pollutants”, “breast cancer and environmental pollution”, “prevalence of lung cancer”, and “diabetes prevalence”. More than 300 peer reviewed papers were examined. Experimental and epidemiologic studies reporting health effects of benzene and volatile organic compounds were included in the study. Results: Epidemiologic and experimental studies suggest that benzene exposure can lead to numerous non-cancerous health effects associated with functional aberration of vital systems in the body like reproductive, immune, nervous, endocrine, cardiovascular, and respiratory. Conclusion: Chronic diseases have become a health burden of global dimension with special emphasis in regions with poor monitoring over contents of benzene in petrochemicals. Benzene is a well known carcinogen of blood and its components, but the concern of benzene exposure is more than carcinogenicity of blood components and should be evaluated in both epidemiologic and experimental studies. Aspect of interactions and mechanism of toxicity in relation to human general health problems especially endocrine disturbances with particular reference to diabetes, breast and lung cancers should be followed up. - Highlights: • Benzene is a volatile organic compound and established blood carcinogen. • Exposure to benzene needs to be

  7. Current understandings and perspectives on non-cancer health effects of benzene: A global concern

    International Nuclear Information System (INIS)

    Objective: Benzene, as a volatile organic compound, is known as one of the main air pollutants in the environment. The aim of this review is to summarize all available evidences on non-cancerous health effects of benzene providing an overview of possible association of exposure to benzene with human chronic diseases, specially, in those regions of the world where benzene concentration is being poorly monitored. Methodology: A bibliographic search of scientific databases including PubMed, Google Scholar, and Scirus was conducted with key words of “benzene toxic health effects”, “environmental volatile organic compounds”, “diabetes mellitus and environmental pollutants”, “breast cancer and environmental pollution”, “prevalence of lung cancer”, and “diabetes prevalence”. More than 300 peer reviewed papers were examined. Experimental and epidemiologic studies reporting health effects of benzene and volatile organic compounds were included in the study. Results: Epidemiologic and experimental studies suggest that benzene exposure can lead to numerous non-cancerous health effects associated with functional aberration of vital systems in the body like reproductive, immune, nervous, endocrine, cardiovascular, and respiratory. Conclusion: Chronic diseases have become a health burden of global dimension with special emphasis in regions with poor monitoring over contents of benzene in petrochemicals. Benzene is a well known carcinogen of blood and its components, but the concern of benzene exposure is more than carcinogenicity of blood components and should be evaluated in both epidemiologic and experimental studies. Aspect of interactions and mechanism of toxicity in relation to human general health problems especially endocrine disturbances with particular reference to diabetes, breast and lung cancers should be followed up. - Highlights: • Benzene is a volatile organic compound and established blood carcinogen. • Exposure to benzene needs to be

  8. Peroxidase-dependent metabolism of benzene's phenolic metabolites and its potential role in benzene toxicity and carcinogenicity.

    OpenAIRE

    Smith, M T; Yager, J W; Steinmetz, K L; Eastmond, D A

    1989-01-01

    The metabolism of two of benzene's phenolic metabolites, phenol and hydroquinone, by peroxidase enzymes has been studied in detail. Studies employing horseradish peroxidase and human myeloperoxidase have shown that in the presence of hydrogen peroxide phenol is converted to 4,4'-diphenoquinone and other covalent binding metabolites, whereas hydroquinone is converted solely to 1,4-benzoquinone. Surprisingly, phenol stimulates the latter conversion rather than inhibiting it, an effect that may ...

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

    Energy Technology Data Exchange (ETDEWEB)

    Medinsky, M.A.; Schlosser, P.M.; Bond, J.A. [Chemical Industry Institute of Toxicology, Research Triangle Park, NC (United States)

    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.

  10. Sudden Death Due to Cerebral Leukemic Hemorrhage in a 32-Year-Old Woman Who Had a Short-Term Benzene Exposure History.

    Science.gov (United States)

    Wang, Tao; Zhang, Jianhua; Zou, Donghua; Chen, Yijiu

    2016-06-01

    Acute myeloid leukemia (AML), also known as acute myelogenous leukemia, is associated with severe hemorrhagic coagulopathy, which is induced by the drop in red blood cells, platelets, and normal leukocyte and the increase of leukemic cells. The case described in this report was of a 32-year-old woman who unexpectedly and suddenly died because of cerebral hemorrhage caused by undiagnosed AML while hospitalized. Further investigation found that the decedent had been exposed to benzene and its derivatives 6 months before her death. This case suggests that underlying AML should be considered as a possible diagnosis when sudden death occurs with a fatal spontaneous intracerebral hemorrhage, especially if the deceased had occupational chemical exposure to benzene and its derivatives. PMID:27049659

  11. Environmental and occupational exposure to benzene by analysis of breath and blood.

    Science.gov (United States)

    Perbellini, L; Faccini, G B; Pasini, F; Cazzoli, F; Pistoia, S; Rosellini, R; Valsecchi, M; Brugnone, F

    1988-05-01

    Benzene exposure of chemical workers was studied, during the entire workshift, by continuous monitoring of workplace benzene concentration, and 16 hours after the end of the workshift by the measurement of alveolar and blood benzene concentrations and excretion of urinary phenol. Exposure of hospital staff was studied by measuring benzene concentrations in the alveolar and blood samples collected during the hospital workshift. Instantaneous environmental air samples were also collected, at the moment of the biological sampling, for all the subjects tested. A group of 34 chemical workers showed an eight hour exposure to benzene, as a geometric mean, of 1.12 micrograms/l which corresponded, 16 hours after the end of the workshift, to a geometric mean benzene concentration of 70 ng/l in the alveolar air and 597 ng/l in the blood. Another group of 27 chemical workers (group A) turned out to be exposed to an indeterminable eight hour exposure to benzene that corresponded, the morning after, to a geometric mean benzene concentration of 28 ng/l in the alveolar air and 256 ng/l in the blood. The group of hospital staff (group B) had a benzene concentration of 14 ng/l in the alveolar air and 269 ng/l in the blood. Instantaneous environmental samples showed that in the infirmaries the geometric mean benzene concentration was 58 ng/l during the examination of the 34 chemical workers, 36 ng/l during the examination of the 27 chemical workers (group A), and 5 ng/l during the examination of the 19 subjects of the hospital staff (group B). Statistical analysis showed that the alveolar and blood benzene concentrations in the 34 workers exposed to 1.12 microgram/l of benzene differed significantly from those in groups A and B. It was found, moreover, that the alveolar and blood benzene concentrations were higher in the smokers in groups A and B but not in the smokers in the group of 34 chemical workers. The slope of the linear correlation between the alveolar and the instantaneous

  12. Occupational Exposure to Benzene from Painting with Epoxy and Other High Performance Coatings

    Energy Technology Data Exchange (ETDEWEB)

    JAHN, STEVEN

    2005-04-20

    Following the discovery of trace benzene in paint products, an assessment was needed to determine potential for benzene exposures to exceed the established ACGIH Threshold Limit Value (TLV) during painting operations. Sample data was collected by area industrial hygienists for benzene during routine maintenance and construction activities at Savannah River Site. A set of available data from the IH database, Sentry, was analyzed to provide guidance to the industrial hygiene staff and draw conclusions on the exposure potential during typical painting operations.

  13. Solar Powered Vapor Absorption System Using Propane And Alkylated Benzene Ab300 Oil

    OpenAIRE

    Al-Dadah, R.K.; Jackson, G.; Rezk, Ahmed

    2011-01-01

    Abstract This paper describes experimental work on a solar assisted vapour absorption air conditioning system using Propane (refrigerant) and Alkylated Benzene (AB300?refrigeration lubrication oil, absorbent). Preliminary experiments to assess the miscibility of propane in various lubricating oils namely Shell Clavus oils 32 and 64 and Alkylated Benzene oils AB150 and AB300 indicated that Propane is most miscible in Alkylated Benzene AB300. The vapour absorption system is a single ...

  14. Geographical distribution of benzene in air in northwestern Italy and personal exposure.

    OpenAIRE

    Gilli, G.; Scursatone, E; Bono, R.

    1996-01-01

    Benzene is a solvent strictly related to some industrial activities and to automotive emissions. After the reduction in lead content of fuel gasoline, and the consequent decrease in octane number, an increase in benzene and other aromatic hydrocarbons in gasoline occurred. Therefore, an increase in the concentration of these chemicals in the air as primary pollutants and as precursors of photochemical smog could occur in the future. The objectives of this study were to describe the benzene ai...

  15. ANALYSES OF CHROMOSOME ABERRATIONS IN LYMPHOCYTES AND BONE MARROW CELLS INDUCED BY RADIATION OR BENZENE

    Institute of Scientific and Technical Information of China (English)

    张鸿源; 王兰金; 等

    1995-01-01

    The chromosomoe and chromatid type aberration can be induced by benzene and the dicentric and ring ones were not observed in vitro experiment but observed in vivo one.In vitro experiment a good linear reression can be given between benzene concentrations and total aberration cells while power regression for radiation dose.The chromosome aberrations induced by benzene combined with radiation in rabbit blood lymphocytes are higher than in bone marryow cells.

  16. Low-dose metabolism of benzene in humans: science and obfuscation.

    Science.gov (United States)

    Rappaport, Stephen M; Kim, Sungkyoon; Thomas, Reuben; Johnson, Brent A; Bois, Frederic Y; Kupper, Lawrence L

    2013-01-01

    Benzene is a ubiquitous air pollutant that causes human leukemia and hematotoxic effects. Although the mechanism by which benzene causes toxicity is unclear, metabolism is required. A series of articles by Kim et al. used air and biomonitoring data from workers in Tianjin, China, to investigate the dose-specific metabolism (DSM) of benzene over a wide range of air concentrations (0.03-88.9 p.p.m.). Kim et al. concluded that DSM of benzene is greatest at air concentrations American Petroleum Institute to fund a study by Price et al. to reanalyze the original data. Although their formal 'reanalysis' reproduced Kim's finding of enhanced DSM at sub-p.p.m. benzene concentrations, Price et al. argued that Kim's methods were inappropriate for assigning benzene exposures to low exposed subjects (based on measurements of urinary benzene) and for adjusting background levels of metabolites (based on median values from the 60 lowest exposed subjects). Price et al. then performed uncertainty analyses under alternative approaches, which led them to conclude that '… the Tianjin data appear to be too uncertain to support any conclusions …' regarding the DSM of benzene. They also argued that the apparent low-dose metabolism of benzene could be explained by 'lung clearance.' In addressing these criticisms, we show that the methods and arguments presented by Price et al. are scientifically unsound and that their results are unreliable. PMID:23222815

  17. Spectroscopic study of water-NaCl-benzene mixtures at high temperatures and pressures

    OpenAIRE

    Ohya, Tomoyuki; Kitagawa, Masaaki; Jin, Yusuke; Ikawa, Shun-ichi

    2005-01-01

    Near-infrared and ultraviolet spectra of water-NaCl-benzene mixtures have been measured in the 473–573 K and 100–400 bar range and 373–498 K and 50–300 bar range, respectively. Concentrations of water in the benzene-rich phase and benzene in the water-rich phase were estimated from integrated intensities of the absorption bands. It is found that addition of NaCl in the aqueous phase suppresses transfer of water into the benzene-rich phase, and the relative decrease in water solubility in ...

  18. Human hemoglobin structural and functional alterations and heme degradation upon interaction with benzene: A spectroscopic study

    Science.gov (United States)

    Hosseinzadeh, Reza; Moosavi-Movahedi, Ali Akbar

    2016-03-01

    Here, the effect of benzene on hemoglobin structure, stability and heme prosthetic group integrity was studied by different methods. These included UV-vis absorption spectrophotometry, normal and synchronous fluorescence techniques, and differential scanning calorimetry (DSC). Our results indicated that benzene has high hemolytic potential even at low concentrations. The UV-vis spectroscopic results demonstrated that benzene altered both the globin chain and the heme prosthetic group of hemoglobin increasing met- and deoxy-Hb, while decreasing oxy-Hb. However, with increasing benzene the concentration of all species decreased due to heme destruction. The spectrophotometric results show that benzene has a high potential for penetrating the hydrophobic pocket of hemoglobin. These results were consistent with the molecular docking simulation results of benzene-hHb. Aggregation and thermal denaturation studies show that the increased benzene concentration induced hemoglobin aggregation with a decrease in stability, which is consistent with the DSC results. Conventional fluorescence spectroscopy revealed that the heme degradation species were produced in the presence of benzene. The results of constant wavelength synchronous fluorescence spectroscopy (CWSFS) indicated that at least five heme-degraded species were produced. Together, our results indicated that benzene has adverse effects on hemoglobin structure and function, and heme degradation.

  19. Determination of benzene in different food matrices by distillation and isotope dilution HS-GC/MS

    International Nuclear Information System (INIS)

    Benzene is classified by the IARC as carcinogenic to humans. Several sources may contribute for the occurrence of benzene in foods, such as, environmental contamination and the reaction of benzoate salts with ascorbic acid (naturally present or added as food additives). Matrix effect on benzene recovery (e.g. in fatty foods) and artefactual benzene formation from benzoate during analysis in the presence of ascorbate are some of the challenges presented when determining benzene in a wide range of foodstuffs. Design of experiment (DOE) was used to determine the most important variables in benzene recovery from headspace GC/MS. Based on the results of the DOE, a versatile method for the extraction of benzene from all kind of food commodities was developed. The method which consisted of distillation and isotope dilution HS-GC/MS was in-house validated. Artefactual benzene was prevented by addition of a borate buffer solution (pH 11) under distillation conditions. The method presented in this study allows the use of a matrix-independent calibration with detection limits below the legal limit established by the European Council for benzene in drinking water (1 μg L-1).

  20. Revisiting the glass transition and dynamics of supercooled benzene by calorimetric studies

    Science.gov (United States)

    Tu, Wenkang; Chen, Zeming; Li, Xiangqian; Gao, Yanqin; Liu, Riping; Wang, Li-Min

    2015-10-01

    The glass transition and dynamics of benzene are studied in binary mixtures of benzene with five glass forming liquids, which can be divided into three groups: (a) o-terphenyl and m-xylene, (b) N-butyl methacrylate, and (c) N,N-dimethylpropionamide and N,N-diethylformamide to represent the weak, moderate, and strong interactions with benzene. The enthalpies of mixing, ΔHmix, for the benzene mixtures are measured to show positive or negative signs, with which the validity of the extrapolations of the glass transition temperature Tg to the benzene-rich regions is examined. The extrapolations for the Tg data in the mixtures are found to converge around the point of 142 K, producing Tg of pure benzene. The fragility m of benzene is also evaluated by extrapolating the results of the mixtures, and a fragility m ˜ 80 is yielded. The obtained Tg and m values for benzene allow for the construction of the activation plot in the deeply supercooled region. The poor glass formability of benzene is found to result from the high melting point, which in turn leads to low viscosity in the supercooled liquid.

  1. Pressure Dependence of Molar Volume near the Melting Point in Benzene

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The pressure dependence of the molar volume was at constant temperatures close to the melting point in benzene. The molar volume of benzene was calculated using experimental data for the thermal expansivity for constant temperatures of 25℃, 28.5℃, 40℃, and 51℃ at various pressures for both the solid and liquid phases. The predictions are in good agreement with the observed volumes in both the solid and liquid phases of benzene. The predicted values of the molar volume for a constant temperature of 28.5℃ in the liquid phase of benzene agree well with experimental data in the literature.

  2. Modeling of Pervaporation Separation Benzene from Dilute Aqueous Solutions Through Polydimethylsiloxane Membranes

    Institute of Scientific and Technical Information of China (English)

    彭福兵; 姜忠义

    2005-01-01

    A modified solution-diffusion model was established based on Flory-Huggins thermodynamic theory and Fujita's free volume theory. This model was used for description of the mass transfer of removal benzene from dilute aqueous solutions through polydimethylsiloxane (PDMS) membranes. The effect of component concentration on the interaction parameter between components, that of the polymer membrane on the selectivity to benzene, and that of feed concentration and temperature on the permeation flux and separation factor of benzene/water through PDMS membranes were investigated. Calculated pervaporation fluxes of benzene and water were compared with the experimental results and were in good agreement with the experimental data.

  3. Exposure to benzene in urban workers: environmental and biological monitoring of traffic police in Rome

    OpenAIRE

    Crebelli, R; Tomei, F.; Zijno, A; Ghittori, S; M Imbriani; Gamberale, D; Martini, A.; Carere, A

    2001-01-01

    OBJECTIVES—To evaluate the contribution of traffic fumes to exposure to benzene in urban workers, an investigation on personal exposure to benzene in traffic police from the city of Rome was carried out.
METHODS—The study was performed from December 1998 to June 1999. Diffusive Radiello personal samplers were used to measure external exposures to benzene and alkyl benzenes during the workshift in 139 policemen who controlled medium to high traffic areas and in 63 office police. Moreover, as b...

  4. Diffusive Motions in Benzene and Toluene Studied with Slow Neutrons

    International Nuclear Information System (INIS)

    The viscosity of benzene is described by the Arrhenius equation ή = const. exp (E/kBT), where E is the activation energy for viscous flow. The viscosity of toluene, however, follows this law only in the higher temperature region of its liquid range, i.e. above the Arrhenius temperature TA. In the whole normal liquid range the benzene molecule is supposed to be able to rotate many times about at least two symmetry axes between translational jumps. Davies and Matheson suggest that the onset of non-Arrhenius viscosity behaviour in toluene occurs at that temperature at which rotation about two axes becomes restricted, while rotation about the third remains free. Inelastic scattering experiments of slow neutrons have been performed on the two substances using a time-of-flight spectrometer for cold neutrons with an energy resolution of 12 %. The quasi-elastic scattering has been studied for small momentum transfer as a function of temperature. Diffusion coefficients have been determined assuming a Lorentzian cross-section. The temperature dependence of the diffusion coefficient for benzene follows an exponential law, but the coefficient is a few times larger than the macroscopic coefficient, showing that a large amount of rotational diffusion exists. For toluene there is a change in the temperature dependence of the coefficient at about TA. This is taken as an indication of a change in the number of degrees of rotational freedom of the toluene molecule around TA. The methyl group in toluene has a low barrier to rotation (≲500 cal/mole). Therefore the hindered rotation levels of the methyl group as well as molecular rotation will contribute significantly to the inelastic scattering spectrum which overlaps the quasi-elastic peak. Th e inelastic component is subtracted by extrapolation but the possible contribution of the CH3 rotation to the quasi-elastic peak itself is neglected. (author)

  5. N2- and (H2+He)-broadened cross sections of benzene (C6H6) in the 7-15 μm region for the Titan and jovian atmospheres

    Science.gov (United States)

    Sung, Keeyoon; Toon, Geoffrey C.; Crawford, Timothy J.

    2016-06-01

    In support of atmospheric remote sensing of Titan and jovian planets, we measured absorption cross sections of benzene (C6H6) in the 7-15 μm region at temperatures between 235 K and 297 K. For this, high-resolution laboratory spectra of C6H6 were obtained using two cold cells (80 cm and 2.07 cm path length) configured to a high resolution Fourier-transform infrared (FT-IR) spectrometer, Bruker IFS-125HR, at the Jet Propulsion Laboratory (JPL). The spectrum sets include 15 pure and 15 N2-broadened benzene spectra in the 630-1534 cm-1 region, along with four additional spectra broadened by an H2(85%) and He(15%) gas mixture for the 630-740 cm-1 region. From these spectra, temperature dependent benzene cross sections were obtained for gas phase benzene in the presence of N2 and (H2+He) at ambient pressures and temperatures down to 235 K. In addition, we generated two independent sets of pseudolines: one of N2-broadened benzene for Titan and the other of (H2+He)-broadened benzene for jovian planets. It is shown that the benzene pseudolines can reproduce the observed features to ˜ 5% in transmittance, including the continuum-like absorption formed by numerous overlapping weak and hot band transitions. Based on the pseudoline parameters, the integrated band intensities at 296 K for the three strongest bands in the region were measured to be 177.0(73), 14.0(10), 27.2(9)×10-17 cm-1/(molecule·cm-2) in the region of v4 at 674 cm-1, v14 at 1038.267, and v13 at 1483.985 cm-1, respectively, from the combined set of pure and N2-broadened benzene spectra. For the (H2+He) mixture-broadened benzene spectra, the integrated band intensity for v4 band in the 630-735 cm-1 region was measured to be 168.8(17)×10-17 cm-1/(molecule·cm-2) at 296 K, which is in agreement with the intensity derived from the N2-broadened benzene spectra within the combined measurement uncertainties. The results from this work show an excellent agreement (2%) with one of the latest experimental studies by

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

    Energy Technology Data Exchange (ETDEWEB)

    Heeb, N.V.; Forss, A.-M.; Bach, C.; Mattrel, P. [Swiss Federal Laboratories for Materials Testing and Research, Duebendorf (Switzerland)

    2000-07-01

    Time-resolved chemical ionization mass spectrometry (Cl-MS) has been used to investigate the velocity-dependent emission factors for benzene, toluene, the C{sub 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{sup -1} and in an acceleration window of - 2-3 m s{sup -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{sup -1}. The conversion of benzene was reduced (< 80%) when driving below 50 km h{sup -1} and the BTXE emissions significantly increased when driven at higher speed and engine load (> 130 km h{sup -1}). Whereas the conversion efficiency for the class of C{sub 2}-benzenes was reduced to 10%, no net conversion could be found for toluene and benzene when driven above 130 km h{sup -1}. In contrast, the benzene and toluene emissions exceeded those of the untreated exhaust gas in the velocity range of 130-150 km h{sup -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). (author)

  7. Atomic Structure of Benzene Which Accounts for Resonance Energy

    CERN Document Server

    Heyrovska, Raji

    2008-01-01

    Benzene is a hexagonal molecule of six carbon atoms, each of which is bound to six hydrogen atoms. The equality of all six CC bond lengths, despite the alternating double and single bonds, and the surplus (resonance) energy, led to the suggestion of two resonanting structures. Here, the new atomic structure shows that the bond length equality is due to three carbon atoms with double bond radii bound to three other carbon atoms with resonance bond radii (as in graphene). Consequently, there are two kinds of CH bonds of slightly different lengths. The bond energies account for the resonance energy.

  8. 4-Benzene­sulfonamido­benzoic acid

    OpenAIRE

    Sharif, Hafiz Muhammad Adeel; Dong, Gui-Ying; Arshad, Muhammad Nadeem; Khan, Islam Ullah

    2009-01-01

    In the mol­ecule of the title sulfonamide compound, C13H11NO4S, the dihedral angle between the planes of the benzene ring and the carboxyl substituent group is 6.7 (4)°. The two aromatic rings are inclined at 45.36 (15)° to one another. In the crystal, adjacent mol­ecules are linked via classical inter­molecular N—H⋯O and O—H⋯O, and non-classical C—H⋯O hydrogen bonds, which stabilize the crystal structure.

  9. 4-Benzene­sulfonamido­benzoic acid

    Science.gov (United States)

    Sharif, Hafiz Muhammad Adeel; Dong, Gui-Ying; Arshad, Muhammad Nadeem; Khan, Islam Ullah

    2009-01-01

    In the mol­ecule of the title sulfonamide compound, C13H11NO4S, the dihedral angle between the planes of the benzene ring and the carboxyl substituent group is 6.7 (4)°. The two aromatic rings are inclined at 45.36 (15)° to one another. In the crystal, adjacent mol­ecules are linked via classical inter­molecular N—H⋯O and O—H⋯O, and non-classical C—H⋯O hydrogen bonds, which stabilize the crystal structure. PMID:21578816

  10. Alkylation of benzene with normal olefins from coker distillate

    Energy Technology Data Exchange (ETDEWEB)

    Aboul-Gheit, A.K.; Moustafa, O.F.; Habbib, R.M.

    1985-10-01

    The normal olefins separated from a coker distillate were used to alkylate benzene on catalysts containing silicotungstic acid supported on silica, silica-alumina and activated natural clays. The alkylation activity was found to increase as the surface area and silica/alumina ratio of the catalysts increase, irrespective of the support texture. The activation energy of the reaction was very low (proportional3 k cal mol/sup -1/), assuming catalytic intraparticle diffusion limitation. Equilibrium shift towards dealkylation was observed beyond 300/sup 0/C. (orig.).

  11. Bis[diethyl(hydroxyammonium] benzene-1,4-dicarboxylate

    Directory of Open Access Journals (Sweden)

    De-Ming Xie

    2010-08-01

    Full Text Available In the centrosymmetric title compound, 2C4H12NO+·C8H4O42−, two N,N-diethyl(hydroxyammonium cations are linked to a benzene-1,4-dicarboxylate dianion by a combination of O—H...O and N—H...O hydrogen bonds, which can be described in graph-set terminology as R22(7. The crystal structure is further stabilized by C—H...O hydrogen bonds, leading to the fomation of a ribbon-like network.

  12. Studies on Synthesis of Some Novel Heterocyclic Chalcone, Pyrazoline, Pyrimidine - 2 - One, Pyrimidine - 2 - Thione, para-Acetanilide Sulphonyl and Benzoyl Derivatives and their Antimicrobial Activity

    OpenAIRE

    Mistry, Rakesh N.; K. R. Desai

    2005-01-01

    1, 2 - Dichloro benzene on chlorosulphonation by chlorosulphonic acid gives 1, 2 - [dichloro] - benzene sulphonyl chloride which on condensation with p –amino acetophenone gives 1-[acetyl] - 1’ , 2’ - [dichloro] - dibenz sulphonamide derivative. This derivative undergo condensation with 2,4- dichloro benzaldehyde gives 1- [3” - (sub. phenyl) - 2” - propene - 1” - one] - 1’ , 2’ - [dichloro] - dibenz sulphonamide derivative which on reaction with 99% hydrazine hydrate and glacial acetic acid g...

  13. Exposition by inhalation to the benzene, toluene, ethyl-benzene and xylenes (BTEX) in the air. Sources, measures and concentrations; Exposition par inhalation au benzene, toluene, ethylbenzene et xylenes (BTEX) dans l'air. Source, mesures et concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Del Gratta, F.; Durif, M.; Fagault, Y.; Zdanevitch, I

    2004-12-15

    This document presents the main techniques today available to characterize the benzene, toluene, ethyl-benzene and xylene (BTEX) concentrations in the air for different contexts: urban and rural areas or around industrial installations but also indoor and occupational area. It provides information to guide laboratories and research departments. A synthesis gives also the main emissions sources of these compounds as reference concentrations measured in different environments. (A.L.B.)

  14. Endocrine-mediated effects of two benzene related compounds, 1-chloro-4-(chloromethyl)benzene and 1,3-diethyl benzene, based on subacute oral toxicity studies using rats.

    Science.gov (United States)

    Yamasaki, Kanji; Ishii, Satoko; Kikuno, Tsukasa; Minobe, Yasushi

    2012-08-01

    The purpose of this study was to investigate the endocrine-mediated effects of the benzene-related compounds with reference to Organization for Economic Co-operation and Development (OECD) Test Guideline No. 407. Rats were orally gavaged with 0, 10, 50, and 250 mg/kg/day of 1-chloro-4-(chloromethyl)benzene, and 0, 25, 150, and 1000 mg/kg/day of 1,3-diethyl benzene for at least 28 days, beginning at 8 weeks of age. Thyroid dysfunction was observed in rats given the 1,3-diethyl benzene. Serum T4 values increased in all groups of male rats and in the 1000 mg/kg group of female rats, and TSH values also increased in the 1000 mg/kg groups of both sexes after 28 days' administration. Decreased T3 values were observed in the 1000 mg/kg group of female rats after 28 days' administration, and hormone values increased in the 1000 mg/kg groups of both sexes after the 14-day recovery period. In addition, thyroid weight increased in the 1000 mg/kg groups and thyroid follicular cell hyperplasia was detected in one male rat from the 1000 mg/kg group after 28 days' administration. Endocrine-mediated effects, including thyroid dysfunction were not observed in any groups of rats treated with 1-chloro-4-(chloromethyl)benzene. Our results indicated that endocrine-mediated effects such as thyroid dysfunction were associated with some benzene-related compounds. PMID:22643015

  15. Aggregation of Benzene Molecules with Molecules of Methanol and Formic Acid

    International Nuclear Information System (INIS)

    Calculations and experimental studies of Raman scattering spectra show that there is a dimeric aggregation of benzene molecules with the molecule of methyl alcohol with the use of π-electrons of the benzene ring. In this process, the H-active hydrogen atom of O-H group is oriented to the edge of the benzene ring (a distance along the normal to the plane of the benzene ring is 2.850 A). The unusual position of the H-active hydrogen atom is conditioned by the interaction of two hydrogen atoms of the alcohols methyl group with π-electrons of the benzene ring. In Raman scattering spectra, the aggregation of molecules in the liquid state of the substance leads to a broadening of the band of full-symmetric vibrations with the maximum at 992 cm-1, as well as to a shift of this band toward lower frequencies by ∼ 1 cm-1. The band at 992 cm-1 is narrowed more than twice at the strong dilution of the benzene-methyl alcohol mixture by a large amount of heptane. The aggregation of benzene molecules takes place also with the molecules of formic acid with the use of π-electrons of the benzene ring. As in the case of the benzene-methyl alcohol mixture, the H-active hydrogen atom of O-H group of the acid is shifted toward the edge of the benzene ring. The energy of the benzene-formic acid dimerization is 9.2 kJ/mole.

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

    Science.gov (United States)

    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. Chemical accuracy from quantum Monte Carlo for the benzene dimer.

    Science.gov (United States)

    Azadi, Sam; Cohen, R E

    2015-09-14

    We report an accurate study of interactions between benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory using different van der Waals functionals. In our quantum Monte Carlo (QMC) calculations, we use accurate correlated trial wave functions including three-body Jastrow factors and backflow transformations. We consider two benzene molecules in the parallel displaced geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimal VMC and DMC binding energies of -2.3(4) and -2.7(3) kcal/mol, respectively. The best estimate of the coupled-cluster theory through perturbative triplets/complete basis set limit is -2.65(2) kcal/mol [Miliordos et al., J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods. PMID:26374029

  18. Chemical accuracy from quantum Monte Carlo for the benzene dimer

    International Nuclear Information System (INIS)

    We report an accurate study of interactions between benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory using different van der Waals functionals. In our quantum Monte Carlo (QMC) calculations, we use accurate correlated trial wave functions including three-body Jastrow factors and backflow transformations. We consider two benzene molecules in the parallel displaced geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimal VMC and DMC binding energies of −2.3(4) and −2.7(3) kcal/mol, respectively. The best estimate of the coupled-cluster theory through perturbative triplets/complete basis set limit is −2.65(2) kcal/mol [Miliordos et al., J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods

  19. Chemical accuracy from quantum Monte Carlo for the Benzene Dimer

    CERN Document Server

    Azadi, Sam

    2015-01-01

    We report an accurate study of interactions between Benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory (DFT) using different van der Waals (vdW) functionals. In our QMC calculations, we use accurate correlated trial wave functions including three-body Jastrow factors, and backflow transformations. We consider two benzene molecules in the parallel displaced (PD) geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimal VMC and DMC binding energies of -2.3(4) and -2.7(3) kcal/mol, respectively. The best estimate of the CCSD(T)/CBS limit is -2.65(2) kcal/mol [E. Miliordos et al, J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, compar...

  20. Local Field Factors and Dielectric Properties of Liquid Benzene.

    Science.gov (United States)

    Davari, Nazanin; Daub, Christopher D; Åstrand, Per-Olof; Unge, Mikael

    2015-09-01

    Local electric field factors are calculated for liquid benzene by combining molecular dynamic simulations with a subsequent force-field model based on a combined charge-transfer and point-dipole interaction model for the local field factor. The local field factor is obtained as a linear response of the local field to an external electric field, and the response is calculated at frequencies through the first absorption maximum. It is found that the largest static local field factor is around 2.4, while it is around 6.4 at the absorption frequency. The linear susceptibility, the dielectric constant, and the first absorption maximum of liquid benzene are also studied. The electronic contribution to the dielectric constant is around 2.3 at zero frequency, in good agreement with the experimental value around 2.2, while it increases to 6.3 at the absorption frequency. The π → π* excitation energy is around 6.0 eV, as compared to the gas-phase value of around 6.3 eV, while the experimental values are 6.5 and 6.9 eV for the liquid and gas phase, respectively, demonstrating that the gas-to-liquid shift is well-described. PMID:26241379

  1. Diffusion and adsorption of benzene in Regina clay

    International Nuclear Information System (INIS)

    Surface or near-surface spills of hydrocarbons such as gasoline and diesel often occur in clay soils which are fractured and unsaturated. For cost-effective remediation, the extent of contamination and the distribution of the various phases should be determined before the development of remediation methods. The four volatile compounds that are commonly associated with gasoline leaking from underground fuel storage tanks are benzene, toluene, ethlybenzene and xylene. Existing diffusion test methods have been used successfully for inorganic species, but the successful application of these methods to volatile organic compounds is limited. The main difficulty with experiments using volatile organics is that there is a need for careful sample handling and sensitive analytical methods to accurately measure the aqueous concentration. Work was carried out to develop an apparatus that could be used to measure the diffusion and adsorption of volatile organics in clay. The best visual fit to the experimental data for the single reservoir test was an effective diffusion coefficient of 0.01 mL/g, and an adsorption coefficient of 0.1 mL/g. Based on diffusion cell tests, there are relatively low levels of retardation for benzene as it moves in clay soils with low organic carbon content. The implications for remediation are summarized. 28 refs., 16 figs., 5 tabs

  2. Irradiated Benzene Ice Provides Clues to Meteoritic Organic Chemistry

    Science.gov (United States)

    Callahan, Michael Patrick; Gerakines, Perry Alexander; Martin, Mildred G.; Hudson, Reggie L.; Peeters, Zan

    2013-01-01

    Aromatic hydrocarbons account for a significant portion of the organic matter in carbonaceous chondrite meteorites, as a component of both the low molecular weight, solvent-extractable compounds and the insoluble organic macromolecular material. Previous work has suggested that the aromatic compounds in carbonaceous chondrites may have originated in the radiation-processed icy mantles of interstellar dust grains. Here we report new studies of the organic residue made from benzene irradiated at 19 K by 0.8 MeV protons. Polyphenyls with up to four rings were unambiguously identified in the residue by gas chromatography-mass spectrometry. Atmospheric pressure photoionization Fourier transform mass spectrometry was used to determine molecular composition, and accurate mass measurements suggested the presence of polyphenyls, partially hydrogenated polyphenyls, and other complex aromatic compounds. The profile of low molecular weight compounds in the residue compared well with extracts from the Murchison and Orgueil meteorites. These results are consistent with the possibility that solid phase radiation chemistry of benzene produced some of the complex aromatics found in meteorites.

  3. Sonochemical treatment of benzene/toluene contaminated wastewater

    Energy Technology Data Exchange (ETDEWEB)

    Thoma, G.; Gleason, M. [Univ. of Arkansas, Fayetteville, AR (United States). Dept. of Chemical Engineering; Popov, V. [Scientific Production Association Typhoon, Obninsk (Russian Federation). Inst. of Experimental Meterology

    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.

  4. Alkylation of Benzene with Propylene Catalyzed by Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    Sun Xuewen; Zhao Suoqi

    2006-01-01

    The alkylation of benzene with propylene catalyzed by ionic liquids to obtain cumene was investigated. Propylene conversion and cumene selectivity under mild reaction conditions were improved greatly after the ionic liquid was modified with HCl. Under the conditions of 20 oC, 0.1MPa, 5 min of reaction time, and a molar ratio of benzene to propylene of 10:1, propylene conversion increased from 83.6% to 100%, and cumene selectivity increased from 90.86% to 98.47%. In addition, it was found that the reaction could be carried out in two different stages so as to obtain a better result. At the first stage, the key reaction was alkylation and a higher propylene conversion was obtained at a lower temperature;At the second stage, the key reaction was transalkylation and a higher temperature was used to improve cumene selectivity. The reaction temperature, pressure and the amount of catalyst used in this work were lower than those used in traditional alkylation processes.

  5. Separation of Benzene and Cyclohexane by Batch Extractive Distillation

    Institute of Scientific and Technical Information of China (English)

    XU Jiao; ZHANG Weijiang; GUI Xia

    2007-01-01

    Azeotropic liquid mixture cannot be separated by conventional distillation. But extractive distillation or combination of the two can be valid for them. An experiment to separate benzene and cyclohexane by batch extractive distillation was carried out with N, N-dimethylformide (DMF), dimethyl sulfoxide (DMSO) and their mixture as extractive solvent. The effect of the operation parameterssuch as solvent flow rate and reflux ratio on the separation was studied under the same operating conditions. The results show that the separation effect was improved with the increase of solvent flow rate and the reflux ratio; all the three extractive solvents can separate benzene and cyclohexane, with DMF being the most efficient one, the mixture the second, and DMSO the least. In the experiment the best operation conditions are with DMF as extractive solvent, the solvent flow rate being 12.33 mL/min, and the reflux ratio being 6. As a result, we can get cyclohexane from the top of tower with the average product content being 86.98%, and its recovering ratio being 83.10%.

  6. Effect of substrate interaction on oxidation of methane and benzene in enriched microbial consortia from landfill cover soil.

    Science.gov (United States)

    Lee, Eun-Hee; Park, Hyunjung; Cho, Kyung-Suk

    2011-01-01

    The interaction of methane and benzene during oxidation in enriched methane-oxidizing consortium (MOC) and in benzene-oxidizing consortium (BOC) from landfill cover soil was characterized. Oxidation of both methane and benzene occurred in the MOC due to the coexistence of bacteria responsible for benzene oxidation, as well as methanotrophs, whereas in the BOC, only benzene was oxidized, not methane. Methane oxidation rates in the MOC were decreased with increasing benzene/methane ratio (mol/mol), indicating its methane oxidation was inhibited by the benzene coexistence. Benzene oxidation rates in the MOC, however, were increased with increasing benzene/methane ratio. The benzene oxidation in the BOC was not affected by the coexistence of methane or by the ratio of methane/benzene ratio (mol/mol). No effect of methane or benzene was found on the dynamics of functional genes, such as particulate methane monooxygenase and toluene monooxygenase, in association with oxidation of methane and benzene in the MOC and BOC. PMID:21847790

  7. Variability of benzene exposure among filling station attendants; Variabilita` dell`esposizione a benzene tra gli addetti all`erogazione di carburanti

    Energy Technology Data Exchange (ETDEWEB)

    Carere, A.; Iacovella, N.; Turrio Baldassarri, L. [Istituto Superiore di Sanita`, Rome (Italy). Lab. di Tossicologia Comparata ed Ecotossicologia; Fuselli, S.; Iavarone, I.; Lagorio, S.; Proietto, A.R. [Istituto Superiore di Sanita`, Rome (Italy). Lab. di Igiene Ambientale

    1996-12-01

    A monitoring survey of filling station attendants aimed at identifying sources of variability of exposure to benzene and other aromatics was carried out. Concurrent samples of the worker`s breathing zone air, atmospheric air in the service station proximity, and gasoline were collected, along with information about daily workloads and other exposure-related factors. Benzene personal exposure was characterised by a small between-worker variability and a predominant within-worker variance component. Such elevated day-to-day variability yields to imprecise estimates of mean personal exposure. Almost 70% of the overall personal exposure variance was explained by a model including daily benzene from dispensed fuel, presence of a shelter over the refueling area, amount of fuel supplied to the station if a delivery occurred, and background atmospheric benzene concentration.

  8. Benzene bioremediation using cow dung microflora in two phase partitioning bioreactor

    International Nuclear Information System (INIS)

    Bioremediation of benzene has been carried out using cow dung microflora in a bioreactor. The bioremediation of benzene under the influence of cow dung microflora was found to be 100% and 67.5%, at initial concentrations of 100 mg/l and 250 mg/l within 72 h and 168 h respectively; where as at higher concentration (500 mg/l), benzene was found to be inhibitory. Hence the two phase partitioning bioreactor (TPPB) has been designed and developed to carryout biodegradation at higher concentration. In TPPB 5000 mg/l benzene was biodegraded up to 50.17% over a period of 168 h. Further the Pseudomonas putida MHF 7109 was isolated from cow dung microflora as potential benzene degrader and its ability to degrade benzene at various concentrations was evaluated. The data indicates 100%, 81% and 65% degradation at the concentrations of 50 mg/l, 100 mg/l, 250 mg/l within the time period of 24 h, 96 h and 168 h respectively. The GC-MS data also shows the presence of catechol and 2-hydroxymuconic semialdehyde, which confirms the established pathway of benzene biodegradation. The present research proves the potential of cow dung microflora as a source of biomass for benzene biodegradation in TPPB.

  9. 78 FR 25476 - Agency Information Collection Activities; Submission for OMB Review; Comment Request; Benzene...

    Science.gov (United States)

    2013-05-01

    ... information, see the related notice published in the Federal Register on February 28, 2013 (78 FR 13707...; Benzene Standard ACTION: Notice. SUMMARY: On April 30, 2013, the Department of Labor (DOL) will submit the..., ``Benzene Standard,'' to the Office of Management and Budget (OMB) for review and approval for continued...

  10. Benzene emission from the actual car fleet in relation to petrol composition in Denmark

    International Nuclear Information System (INIS)

    The present study covers an investigation of the trends in air pollution levels of benzene in Danish cities and their relationship with the benzene content in petrol. Petrol samples from the two refineries in Denmark as well as sold petrol from some representative Danish petrol stations were analysed. The benzene content in Danish petrol was reduced from 3.5% for 95 octane prior to 1995 to approx. 2% in 1995 and further to 1% in 1998. Air quality measurements of aromatic VOC are available from two Danish cities; Copenhagen since 1994 and Odense since 1997. Measurements of benzene, CO and NOx from these two locations were analysed using the Operational Street Pollution Model (OSPM) and trends in the actual emissions of these pollutants were determined. It is shown that the decrease in both the concentration levels and in the emissions was significantly larger for benzene than for CO and NOx. The decreasing trends of NOx and CO could be explained by the increasing fraction of petrol-fuelled vehicles with three way catalysts (TWC). The much steeper decreasing trend for benzene can most likely be attributed to a combination of the effect of the increasing share of the TWC vehicles and a simultaneous reduction of benzene content in Danish petrol. The reduction of benzene concentrations and emissions is observed despite that the total amount of aromatics in petrol has increased slightly in the same period. (Author)

  11. FORMATION OF HEMOGLOBIN AND ALBUMIN ADDUCTS OF BENZENE OXIDE IN MOUSE, RAT, AND HUMAN BLOOD

    Science.gov (United States)

    Little is known about the formation and disposition of benzene oxide (BO), the initial metabolite arising from oxidation of benzene by cytochrome P450. In this study, reactions of BO with hemoglobin (Hb) and albumin (Alb) were investigated in blood from B6C3F1 mice, F344 rats, ...

  12. Genotoxic and histotoxic effects of air pollutants at a benzene station on albino rats

    Directory of Open Access Journals (Sweden)

    Mohamed Abousalem

    2014-02-01

    Conclusions: The findings of the present study indicated that benzene exposure may lead to toxic effects including, genotoxicities and histotoxicities. In order to minimize the predicted toxic effect of occupational exposure to benzene the strict protective measures should be put in consideration. [Int J Basic Clin Pharmacol 2014; 3(1.000: 144-150

  13. Benzene emission from the actual car fleet in relation to petrol composition in Denmark

    Science.gov (United States)

    Palmgren, Finn; Hansen, Asger B.; Berkowicz, Ruwim; Skov, Henrik

    The present study covers an investigation of the trends in air pollution levels of benzene in Danish cities and their relationship with the benzene content in petrol. Petrol samples from the two refineries in Denmark as well as sold petrol from some representative Danish petrol stations were analysed. The benzene content in Danish petrol was reduced from 3.5% for 95 octane prior to 1995 to approx. 2% in 1995 and further to 1 % in 1998. Air quality measurements of aromatic VOC are available from two Danish cities; Copenhagen since 1994 and Odense since 1997. Measurements of benzene, CO and NO x from these two locations were analysed using the Operational Street Pollution Model (OSPM) and trends in the actual emissions of these pollutants were determined. It is shown that the decrease in both the concentration levels and in the emissions was significantly larger for benzene than for CO and NO x. The decreasing trends of NO x and CO could be explained by the increasing fraction of petrol-fuelled vehicles with three way catalysts (TWC). The much steeper decreasing trend for benzene can most likely be attributed to a combination of the effect of the increasing share of the TWC vehicles and a simultaneous reduction of benzene content in Danish petrol. The reduction of benzene concentrations and emissions is observed despite that the total amount of aromatics in petrol has increased slightly in the same period.

  14. Current understanding of the mechanism of benzene-induced leukemia in humans: implications for risk assessment

    Science.gov (United States)

    McHale, Cliona M.; Zhang, Luoping; Smith, Martyn T.

    2012-01-01

    Benzene causes acute myeloid leukemia and probably other hematological malignancies. As benzene also causes hematotoxicity even in workers exposed to levels below the US permissible occupational exposure limit of 1 part per million, further assessment of the health risks associated with its exposure, particularly at low levels, is needed. Here, we describe the probable mechanism by which benzene induces leukemia involving the targeting of critical genes and pathways through the induction of genetic, chromosomal or epigenetic abnormalities and genomic instability, in a hematopoietic stem cell (HSC); stromal cell dysregulation; apoptosis of HSCs and stromal cells and altered proliferation and differentiation of HSCs. These effects modulated by benzene-induced oxidative stress, aryl hydrocarbon receptor dysregulation and reduced immunosurveillance, lead to the generation of leukemic stem cells and subsequent clonal evolution to leukemia. A mode of action (MOA) approach to the risk assessment of benzene was recently proposed. This approach is limited, however, by the challenges of defining a simple stochastic MOA of benzene-induced leukemogenesis and of identifying relevant and quantifiable parameters associated with potential key events. An alternative risk assessment approach is the application of toxicogenomics and systems biology in human populations, animals and in vitro models of the HSC stem cell niche, exposed to a range of levels of benzene. These approaches will inform our understanding of the mechanisms of benzene toxicity and identify additional biomarkers of exposure, early effect and susceptibility useful for risk assessment. PMID:22166497

  15. Genome-wide functional profiling reveals genes required for tolerance to benzene metabolites in yeast.

    Directory of Open Access Journals (Sweden)

    Matthew North

    Full Text Available Benzene is a ubiquitous environmental contaminant and is widely used in industry. Exposure to benzene causes a number of serious health problems, including blood disorders and leukemia. Benzene undergoes complex metabolism in humans, making mechanistic determination of benzene toxicity difficult. We used a functional genomics approach to identify the genes that modulate the cellular toxicity of three of the phenolic metabolites of benzene, hydroquinone (HQ, catechol (CAT and 1,2,4-benzenetriol (BT, in the model eukaryote Saccharomyces cerevisiae. Benzene metabolites generate oxidative and cytoskeletal stress, and tolerance requires correct regulation of iron homeostasis and the vacuolar ATPase. We have identified a conserved bZIP transcription factor, Yap3p, as important for a HQ-specific response pathway, as well as two genes that encode putative NAD(PH:quinone oxidoreductases, PST2 and YCP4. Many of the yeast genes identified have human orthologs that may modulate human benzene toxicity in a similar manner and could play a role in benzene exposure-related disease.

  16. 46 CFR Appendix B to Subpart C to... - Substance Technical Guidelines, Benzene

    Science.gov (United States)

    2010-10-01

    ...) Benzene is classified as a flammable liquid for the purpose of conforming to the requirements of 49 CFR... locations for the purposes of conforming to the requirements of 46 CFR parts 30 through 40, 151, and 153.... (Benzin, petroleum benzin, and benzine do not contain benzene). (2) Formula: C6 H6 (CAS Registry...

  17. Benzene bioremediation using cow dung microflora in two phase partitioning bioreactor

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Dipty [Environmental Biotechnology Laboratory, Department of Life Sciences, University of Mumbai, Vidyanagari Campus, Santacruz (E), Mumbai-400 098 (India); Fulekar, M.H., E-mail: mhfulekar@yahoo.com [Environmental Biotechnology Laboratory, Department of Life Sciences, University of Mumbai, Vidyanagari Campus, Santacruz (E), Mumbai-400 098 (India)

    2010-03-15

    Bioremediation of benzene has been carried out using cow dung microflora in a bioreactor. The bioremediation of benzene under the influence of cow dung microflora was found to be 100% and 67.5%, at initial concentrations of 100 mg/l and 250 mg/l within 72 h and 168 h respectively; where as at higher concentration (500 mg/l), benzene was found to be inhibitory. Hence the two phase partitioning bioreactor (TPPB) has been designed and developed to carryout biodegradation at higher concentration. In TPPB 5000 mg/l benzene was biodegraded up to 50.17% over a period of 168 h. Further the Pseudomonas putida MHF 7109 was isolated from cow dung microflora as potential benzene degrader and its ability to degrade benzene at various concentrations was evaluated. The data indicates 100%, 81% and 65% degradation at the concentrations of 50 mg/l, 100 mg/l, 250 mg/l within the time period of 24 h, 96 h and 168 h respectively. The GC-MS data also shows the presence of catechol and 2-hydroxymuconic semialdehyde, which confirms the established pathway of benzene biodegradation. The present research proves the potential of cow dung microflora as a source of biomass for benzene biodegradation in TPPB.

  18. 11. USING BIOMARKERS TO IMPROVE BENZENE RISK ASSESSMENT AND FIND THE CAUSES OF LEUKAEMIA

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    @@Benzene is an established cause of leukemia at high doses, but the risk it poses at exposures of ≤1ppm in air is diffcult to quantify. Molecular biomarkers may improve the accuracy of this risk assessment. We have therefore attempted to develop and validate biomarkers of exposure, early effect and susceptibility to benzene. We have shown

  19. Hydrogenation of Benzene over Mo2C/Al2O3 Catalyst

    Institute of Scientific and Technical Information of China (English)

    Zhang Jing; Wu Weicheng

    2008-01-01

    The process of benzene hydrogenation over Mo2C catalyst has been studied.Mo2C was the active phase in benzene hydrogenation.The major problem with the metal carbides was their poor stability due to deactivation by carbon deposition.

  20. Differential susceptibility of rats and guinea pigs to the ototoxic effects of ethyl benzene

    NARCIS (Netherlands)

    Cappaert, NLM; Klis, SFL; Muijser, H; Kulig, BM; Ravensberg, LC; Smoorenburg, GF

    2002-01-01

    The present study was designed to compare the ototoxic effects of volatile ethyl benzene in guinea pigs and rats. Rats showed deteriorated auditory thresholds in the mid-frequency range, based on electrocochleography, after 550-ppm ethyl benzene (8 h/day, 5 days). Outer hair cell (OHC) loss was foun

  1. H2O/D2O solubility isotope effects. An estimate of the extent of nonclassical rotational behavior of water, when dissolved in benzene or carbon tetrachloride

    International Nuclear Information System (INIS)

    The solubility of D2O in each of benzene, carbon tetrachloride, and cyclohexane was determined over a range of temperatures. The solubilities were converted to Henry's law constants, which were compared with previously obtained Henry's law constants for H2O in these solvents. This comparison, when made in the context of a recently derived first-order quantum correction to the free energy for a rigid rotor in the presence of other molecules, and approximately corrected for intramolecular frequency shifts, indicates that water, when dissolved in carbon tetrachloride at ordinary temperatures, is rotationally classical or very nearly so. Water in benzene appears to manifest small but noticeable nonclassical rotational behavior, which we estimate to be of the order of 5% in the free energy. Because of the very low solubility of H2O and D2O in cyclohexane, our data were not accurate enough to permit a meaningful discussion in terms of a rotational quantum effect in this solvent

  2. Accurate computations of the structures and binding energies of the imidazole⋯benzene and pyrrole⋯benzene complexes

    International Nuclear Information System (INIS)

    Highlights: • We have computed accurate binding energies of two NH⋯π hydrogen bonds. • We compare to results from dispersion-corrected density-functional theory. • A double-hybrid functional with explicit correlation has been proposed. • First results of explicitly-correlated ring-coupled-cluster theory are presented. • A double-hybrid functional with random-phase approximation is investigated. - Abstract: Using explicitly-correlated coupled-cluster theory with single and double excitations, the intermolecular distances and interaction energies of the T-shaped imidazole⋯benzene and pyrrole⋯benzene complexes have been computed in a large augmented correlation-consistent quadruple-zeta basis set, adding also corrections for connected triple excitations and remaining basis-set-superposition errors. The results of these computations are used to assess other methods such as Møller–Plesset perturbation theory (MP2), spin-component-scaled MP2 theory, dispersion-weighted MP2 theory, interference-corrected explicitly-correlated MP2 theory, dispersion-corrected double-hybrid density-functional theory (DFT), DFT-based symmetry-adapted perturbation theory, the random-phase approximation, explicitly-correlated ring-coupled-cluster-doubles theory, and double-hybrid DFT with a correlation energy computed in the random-phase approximation

  3. Accurate computations of the structures and binding energies of the imidazole⋯benzene and pyrrole⋯benzene complexes

    Energy Technology Data Exchange (ETDEWEB)

    Ahnen, Sandra; Hehn, Anna-Sophia [Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 2, D-76131 Karlsruhe (Germany); Vogiatzis, Konstantinos D. [Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 2, D-76131 Karlsruhe (Germany); Center for Functional Nanostructures, Karlsruhe Institute of Technology (KIT), Wolfgang-Gaede-Straße 1a, D-76131 Karlsruhe (Germany); Trachsel, Maria A.; Leutwyler, Samuel [Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, CH-3012 Bern (Switzerland); Klopper, Wim, E-mail: klopper@kit.edu [Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 2, D-76131 Karlsruhe (Germany); Center for Functional Nanostructures, Karlsruhe Institute of Technology (KIT), Wolfgang-Gaede-Straße 1a, D-76131 Karlsruhe (Germany)

    2014-09-30

    Highlights: • We have computed accurate binding energies of two NH⋯π hydrogen bonds. • We compare to results from dispersion-corrected density-functional theory. • A double-hybrid functional with explicit correlation has been proposed. • First results of explicitly-correlated ring-coupled-cluster theory are presented. • A double-hybrid functional with random-phase approximation is investigated. - Abstract: Using explicitly-correlated coupled-cluster theory with single and double excitations, the intermolecular distances and interaction energies of the T-shaped imidazole⋯benzene and pyrrole⋯benzene complexes have been computed in a large augmented correlation-consistent quadruple-zeta basis set, adding also corrections for connected triple excitations and remaining basis-set-superposition errors. The results of these computations are used to assess other methods such as Møller–Plesset perturbation theory (MP2), spin-component-scaled MP2 theory, dispersion-weighted MP2 theory, interference-corrected explicitly-correlated MP2 theory, dispersion-corrected double-hybrid density-functional theory (DFT), DFT-based symmetry-adapted perturbation theory, the random-phase approximation, explicitly-correlated ring-coupled-cluster-doubles theory, and double-hybrid DFT with a correlation energy computed in the random-phase approximation.

  4. Marine environmental protection: An application of the nanometer photo catalyst method on decomposition of benzene.

    Science.gov (United States)

    Lin, Mu-Chien; Kao, Jui-Chung

    2016-04-15

    Bioremediation is currently extensively employed in the elimination of coastal oil pollution, but it is not very effective as the process takes several months to degrade oil. Among the components of oil, benzene degradation is difficult due to its stable characteristics. This paper describes an experimental study on the decomposition of benzene by titanium dioxide (TiO2) nanometer photocatalysis. The photocatalyst is illuminated with 360-nm ultraviolet light for generation of peroxide ions. This results in complete decomposition of benzene, thus yielding CO2 and H2O. In this study, a nonwoven fabric is coated with the photocatalyst and benzene. Using the Double-Shot Py-GC system on the residual component, complete decomposition of the benzene was verified by 4h of exposure to ultraviolet light. The method proposed in this study can be directly applied to elimination of marine oil pollution. Further studies will be conducted on coastal oil pollution in situ. PMID:26922359

  5. Benzaldehyde in cherry flavour as a precursor of benzene formation in beverages.

    Science.gov (United States)

    Loch, Christine; Reusch, Helmut; Ruge, Ingrid; Godelmann, Rolf; Pflaum, Tabea; Kuballa, Thomas; Schumacher, Sandra; Lachenmeier, Dirk W

    2016-09-01

    During sampling and analysis of alcohol-free beverages for food control purposes, a comparably high contamination of benzene (up to 4.6μg/L) has been detected in cherry-flavoured products, even when they were not preserved using benzoic acid (which is a known precursor of benzene formation). There has been some speculation in the literature that formation may occur from benzaldehyde, which is contained in natural and artificial cherry flavours. In this study, model experiments were able to confirm that benzaldehyde does indeed degrade to benzene under heating conditions, and especially in the presence of ascorbic acid. Analysis of a large collective of authentic beverages from the market (n=170) further confirmed that benzene content is significantly correlated to the presence of benzaldehyde (r=0.61, pcherry flavoured beverages, industrial best practices should include monitoring for benzene. Formulations containing either benzoic acid or benzaldehyde in combination with ascorbic acid should be avoided. PMID:27041300

  6. Hydrogen Storage in Benzene Moiety Decorated Single-Walled Carbon Nanotubes

    Institute of Scientific and Technical Information of China (English)

    ZHANG Bing-Yun; LIANG Qi-Min; SONG Chen; XIA Yue-Yuan; ZHAO Ming-wen; LIU Xiang-Dong; ZHANG Hong-Yu

    2006-01-01

    The hydrogen storage capacity of(5,5)single-walled carbon nanotubes(SWNTs)decorated chemically with benzene moieties is studied by using molecular dynamics simulations(MDSs)and density functional theory(DFT) calculations.It is found that benzene molecules colliding on (5,5) SWNTs at incident energy of 50 eV form very stable configurations of benzene moiety adsorption on the wall of SWNTs.The MDSs indicate that when the benzene moiety decorated(5,5)SWNTs and a pristine(5,5)SWNT are put in a box in which hydrogen molecules are filled to a pressure of~26 atm,the hydrogen storage capacity of the benzene moiety decorated(5,5)SWNT is about 4.7wt.% and that of the pristine (5,5) SwNT is nearly 3.9 wt.%.

  7. Monitoring and toxicity of sulfonated derivatives of benzene and naphthalene in municipal sewage treatment plants

    International Nuclear Information System (INIS)

    Monitoring benzenesulfonates (BS) and naphthalenesulfonates (NS) took place in five municipal sewage treatment plants (STP). A previously optimized method based on solid phase extraction with polymeric cartridges followed by ion-pair liquid chromatography-electrospray-mass spectrometry (SPE-IPC-ESI-MS) was used. This work confirmed the little or no effect of primary settlement on total organic carbon (TOC) and monosulfonated compounds removal, whereas the main reduction is obtained at the biological stage. However, the most polar compounds, such as naphthalenedisulfonates (NDS), were not effectively removed using the biological treatment. An aromatic sulfonated compound is suggested to be used as a tracer of the origin of industrial pollutants discharged into STPs. A bioluminescence inhibition test, Microtox[reg] assay, allowed toxicity determination of the most relevant aromatic sulfonated compounds detected and toxicity comparison between primary and secondary effluents. - Sulphonated organic pollutants enter sewage treatment plants and although they partly discharged into the river waters no toxic effects are observed when biological treatment is used

  8. Dipole moments and electron distribution of conjugated molecules; para derivatives of benzene

    Czech Academy of Sciences Publication Activity Database

    Böhm, S.; Exner, Otto

    2007-01-01

    Roč. 803, 1/3 (2007), s. 9-16. ISSN 0166-1280 Institutional research plan: CEZ:AV0Z40550506 Keywords : density functional theory * dipole moment * isodesmic reaction * resonance Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.112, year: 2007

  9. Low-Density Polyethylene in Mixtures of Hexane and Benzene Derivates

    Czech Academy of Sciences Publication Activity Database

    Randová, A.; Bartovská, L.; Hovorka, Š.; Izák, Pavel; Poloncarzová, Magda; Bartovský, T.

    2010-01-01

    Roč. 64, č. 5 (2010), s. 652-656. ISSN 0366-6352 Institutional research plan: CEZ:AV0Z40720504 Keywords : membrane swelling * low-density polyethylene * aromatic hydrocarbon Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 0.754, year: 2010

  10. (Liquid + liquid) equilibria for benzene + cyclohexane + N,N-dimethylformamide + sodium thiocyanate

    International Nuclear Information System (INIS)

    Graphical abstract: On the left, the figure was phase diagram about the LLE date. On the right, the figure was about the effects of mass fraction of benzene in the raffinate phase to the selectivity(S) coefficient under different salt concentration. ■, the NaSCN and DMF in ratio of 5/95; • , the NaSCN and DMF in ratio of 10/90; ▴, the NaSCN and DMF in ratio of 15/85; ★, the NaSCN and DMF in ratio of 20/80; ▾, the NaSCN and DMF in ratio of 23/77. ♦, only DMF was used extractant (the selectivity coefficient was calculated by literature 17). w22, refer to the mass fraction of benzene in the raffinate phase (cyclohexane-rich phase). Highlights: • (Liquid + liquid) equilibrium for quaternary system was measured. • The components include benzene, cyclohexane, N,N-dimethylformamide, sodium thiocyanate. • The (liquid + liquid) equilibrium data can be well correlated by the NRTL model. • Separation of benzene and cyclohexane by NaSCN + DMF was discussed. -- Abstract: (Liquid + liquid) equilibrium (LLE) data for benzene + cyclohexane + N,N-dimethylformamide (DMF) + sodium thiocyanate (NaSCN) were measured experimentally at atmospheric pressure and 303.15 K. The selectivity coefficients from these LLE data were calculated and compared to those previously reported in the literature for the systems (benzene + cyclohexane + DMF) and (benzene + cyclohexane + DMF + KSCN). The NRTL equation was used to correlate the experimental data. The agreement between the predicted and experimental results was good. It was found that the selectivity coefficients of DMF + NaSCN for benzene ranged from 2.45 to 11.99. Considering the relatively high extraction capacity and selectivity for benzene, DMF + NaSCN may be used as a potential extracting solvent for the separation of benzene from cyclohexane

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

    Science.gov (United States)

    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. PMID:26930323

  12. Progress of epidemiological and molecular epidemiological studies on benzene in China.

    Science.gov (United States)

    Li, Guilan; Yin, Songnian

    2006-09-01

    Benzene is an organic solvent that has been used in industry for about 100 years throughout the world. Since 1973, a series of toxicological and molecular epidemiological studies on benzene were conducted by researchers at the Chinese Academy of Preventive Medicine (CAPM) (1973-1986) and subsequently by a collaboration between the CAPM and the National Cancer Institute (NCI) in the United States that began in 1986, which was joined by investigators from the University of California at Berkeley, the University of North Carolina at Chapel Hill, and New York University. The findings demonstrated that the risk of leukemia and lymphoma among benzene-exposed workers was significantly increased, with elevated risks for leukemia present not only at higher exposure but also among workers exposed to under 10 ppm. Therefore, the benzene permissible level was decreased to 1.8 ppm (6 mg/m(3)) and benzene-induced leukemia is treated as an occupational cancer in China. The benzene permissible level is 1.0 in the United States and in several other developed countries and it has been suggested to be decreased to 0.5 ppm (ACGIH). A number of potential biomarkers are related to benzene exposure and poisoning. Some of these are benzene oxide-protein adducts, chromosome aberration of lymphocytes, and GPA mutations in erythrocytes, a decrease in B cell and CD4(-)T cell counts in peripheral blood, and altered expression of CXCL16, ZNF331, JUN, and PF4 in lymphocytes. Variation in multiple benzene metabolizing genes may be associated with risk of benzene hematotoxicity, including CYP2E1, MPO, NQO1, and GSTT1. PMID:17119257

  13. Effect Of Polar Component(1-Propanol On The RelativeVolatility Of The Binary System N-Hexane - Benzene

    Directory of Open Access Journals (Sweden)

    Khalid Farhod Chasib Al-Jiboury

    2008-01-01

    Full Text Available Vapor-liquid equilibrium data are presented for the binary systems n-hexane - 1-propanol, benzene - 1-propanol and n-hexane – benzene at 760 mm of mercury pressure. In addition ternary data are presented at selected compositions with respect to the 1-propanol in the 1-propanol, benzene, n-hexane system at 760 mmHg. The results indicate the relative volatility of n-hexane relative to benzene increases appreciably with addition of 1-propanol

  14. In situ FTIR Investigation of Magnetic Field Effect on Heterogeneous Photocatalytic Degradation of Benzene over Pt/TiO2

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    In situ FTIR spectroscopy was utlized to investigate the magnetic field effect on the heterogeneous photocatalytic degradation of benzene over platinized titania (Pt/TiO2). The results revealed that the employment of magnetic field may not change the mechanism of photocatalytic degradation of benzene, however, it greatly facilitate the conversion of benzene to phenol and quinone, as well as the transformation from phenol to quinone, resulting in opening the benzene ring easily and promoting the production of CO2.

  15. Removal of the hazardous, volatile, and organic compound benzene from aqueous solution using phosphoric acid activated carbon from rice husk

    OpenAIRE

    Yakout, Sobhy M

    2014-01-01

    Background Benzene is one of the most hazardous organic pollutants in groundwater. The removal of benzene from water is very important from a health point of view and for environmental protection. In this study, benzene adsorption kinetics was investigated using phosphoric acid activated carbon, prepared from rice husk. Results An initial rapid uptake of benzene was observed and became almost constant after 40 minutes of contact. Kinetic data was analyzed using pseudo first order, pseudo seco...

  16. 40 CFR 721.10072 - Benzene, 1,1′-methylenebis[4-isocyanato-, polymer with benzenedicarboxylic acid, butyl dialkyl...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, 1,1â²-methylenebis , .alpha... SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10072 Benzene, 1,1′-methylenebis... to reporting. (1) The chemical substance identified generically as benzene,...

  17. 40 CFR 721.2535 - Benzene, 1,1′-methylanebis[4-isocyanato-, homopolymer, Bu alc.-blocked.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, 1,1â²-methylanebis[4... Significant New Uses for Specific Chemical Substances § 721.2535 Benzene, 1,1′-methylanebis[4-isocyanato... chemical substance identified as benzene, 1,1′-methylanebis[4-isocyanato-, homopolymer, Bu...

  18. 40 CFR 80.1352 - What are the pre-compliance reporting requirements for the gasoline benzene program?

    Science.gov (United States)

    2010-07-01

    ... requirements for the gasoline benzene program? 80.1352 Section 80.1352 Protection of Environment ENVIRONMENTAL... Benzene Recordkeeping and Reporting Requirements § 80.1352 What are the pre-compliance reporting requirements for the gasoline benzene program? (a) Except as provided in paragraph (c) of this section,...

  19. Pre-commissioning of 120 kt/a Unit for Hydrotreating Crude Coke Oven Benzene Implemented at Baoyuan Chemical Company

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    @@ The Baoyuan Chemical Company, Ltd. in Taiyuan has per-formed the precommissioning of a 120 kt/a unit for hydrotreating crude coke oven benzene. This unit is the phase II construction of the 300 kt/a crude benzene hydrotreating project, which adopts the process technology for hydrotreating crude coke oven benzene developed indepen-dently by our own efforts.

  20. 40 CFR 721.984 - Amino-hydroxy sulfonaphthylazo-disubstituted phenyl azo benzene carboxylate salt (generic).

    Science.gov (United States)

    2010-07-01

    ...-disubstituted phenyl azo benzene carboxylate salt (generic). 721.984 Section 721.984 Protection of Environment...-disubstituted phenyl azo benzene carboxylate salt (generic). (a) Chemical substance and significant new uses...-disubstituted phenyl azo benzene carboxylate salt (PMN P-00-0351) is subject to reporting under this section...

  1. Nonthermal plasma assisted photocatalytic oxidation of dilute benzene

    Indian Academy of Sciences (India)

    J Karuppiah; E Linga Reddy; L Sivachandiran; R Karvembu; Ch Subrahmanyam

    2012-07-01

    Oxidative decomposition of low concentrations (50-1000 ppm) of diluted benzene in air was carried out in a nonthermal plasma (NTP) dielectric barrier discharge (DBD) reactor with the inner electrode made up of stainless steel fibres (SMF) modified with transition metal oxides in such a way to integrate the catalyst in discharge zone. Typical results indicate the better performance of MnO and TiO2/MnO modified systems, which may be attributed to the in situ decomposition of ozone on the surface of MnO that may lead to the formation of atomic oxygen; whereas ultraviolet light induced photocatalytic oxidation may be taking place with TiO2 modified systems. Water vapour improved the selectivity to total oxidation.

  2. Adsorption of benzene, cyclohexane and hexane on ordered mesoporous carbon.

    Science.gov (United States)

    Wang, Gang; Dou, Baojuan; Zhang, Zhongshen; Wang, Junhui; Liu, Haier; Hao, Zhengping

    2015-04-01

    Ordered mesoporous carbon (OMC) with high specific surface area and large pore volume was synthesized and tested for use as an adsorbent for volatile organic compound (VOC) disposal. Benzene, cyclohexane and hexane were selected as typical adsorbates due to their different molecular sizes and extensive utilization in industrial processes. In spite of their structural differences, high adsorption amounts were achieved for all three adsorbates, as the pore size of OMC is large enough for the access of these VOCs. In addition, the unusual bimodal-like pore size distribution gives the adsorbates a higher diffusion rate compared with conventional adsorbents such as activated carbon and carbon molecular sieve. Kinetic analysis suggests that the adsorption barriers mainly originated from the difficulty of VOC vapor molecules entering the pore channels of adsorbents. Therefore, its superior adsorption ability toward VOCs, together with a high diffusion rate, makes the ordered mesoporous carbon a promising potential adsorbent for VOC disposal. PMID:25872710

  3. Nonlinear response of the benzene molecule to strong magnetic fields

    Science.gov (United States)

    Pagola, G. I.; Caputo, M. C.; Ferraro, M. B.; Lazzeretti, P.

    2005-02-01

    The fourth-rank hypermagnetizability tensor of the benzene molecule has been evaluated at the coupled Hartree-Fock level of accuracy within the conventional common-origin approach, adopting gaugeless basis sets of increasing size and flexibility. The degree of convergence of theoretical tensor components has been estimated allowing for two different coordinate systems. It is shown that a strong magnetic field perpendicular to the plane of the molecule causes a distortion of the electron charge density, which tends to concentrate in the region of the C-C bonds. This charge contraction has a dynamical origin, and can be interpreted as a feedback effect in terms of the classical Lorentz force acting on the electron current density.

  4. Modeling Biodegradation Kinetics on Benzene and Toluene and Their Mixture

    Directory of Open Access Journals (Sweden)

    Aparecido N. Módenes

    2007-10-01

    Full Text Available The objective of this work was to model the biodegradation kinetics of toxic compounds toluene and benzene as pure substrates and in a mixture. As a control, Monod and Andrews models were used. To predict substrates interactions, more sophisticated models of inhibition and competition, and SKIP (sum kinetics interactions parameters model were applied. The models evaluation was performed based on the experimental data from Pseudomonas putida F1 activities published in the literature. In parameter identification procedure, the global method of particle swarm optimization (PSO was applied. The simulation results show that the better description of the biodegradation process of pure toxic substrate can be achieved by Andrews' model. The biodegradation process of a mixture of toxic substrates is modeled the best when modified competitive inhibition and SKIP models are used. The developed software can be used as a toolbox of a kinetics model catalogue of industrial wastewater treatment for process design and optimization.

  5. Benzene ring chains with lithium adsorption: Vibrations and their implications

    CERN Document Server

    Stegmann, Thomas; Seligman, Thomas H

    2016-01-01

    Lithium adsorption on aromatic molecules and polyacenes have been found to produce strong distortions associated to spontaneous symmetry breaking and lesser ones in more general cases. For polyphenyls we find similar, but more varied behaviour; an important feature is the fact that adsorption largely suppresses the torsion present in naked polyphenyl. The spectra of the vibrational modes distinguish the different structures of skeletons and adsorbates. In the more regular adsorption schemes the lowest states are bending and torsion modes of the skeleton, which are essential followed by the adsorbate. Based on this we propose the possible use of such a chain of adsorbates on a chain of benzene rings as a quantum register with the lowest vibrations transmitting qubits for control gates. To strengthen this view and to show the effect of heavier alkalines we also present the very symmetric adsorption of ten rubidium atoms on pentaphenyl.

  6. Radiolysis of Aqueous Benzene Solutions at higher temperatures

    International Nuclear Information System (INIS)

    Aqueous solutions of benzene have been irradiated with Co γ-rays with doses of up to 2.3 Mrad in the temperature region 100 - 200 C. At 100 C a linear relationship between the phenol concentration and the absorbed dose was obtained, but at 150 C and at higher temperatures the rate of the phenol formation increased significantly after an initial constant period. With higher doses the rate decreased again, falling almost to zero at 200 C after a dose of 2.2 Mrad. The G value of phenol in the initial linear period increased from 2.8 at 100 C to 8.0 at 200 C. The reaction mechanism is discussed and reactions constituting a chain reaction are suggested. The result of the addition of iron ions and of a few inorganic oxides to the system is presented and briefly discussed

  7. Separation of Scintillation and Cherenkov Lights in Linear Alkyl Benzene

    CERN Document Server

    Li, Mohan; Yeh, Minfang; Wang, Zhe; Chen, Shaomin

    2015-01-01

    To separate scintillation and Cherenkov lights in water-based liquid scintillator detectors is a desired feature for future neutrino and proton decay researches. Linear alkyl benzene (LAB) is one important ingredient of a water-based liquid scintillator being developed. In this paper we observed a good separation of scintillation and Cherenkov lights in an LAB sample. The rising and decay times of the scintillation light of the LAB were measured to be $(7.7\\pm3.0)\\ \\rm{ns}$ and $(36.6\\pm2.4)\\ \\rm{ns}$, respectively, while the full width [-3$\\sigma$, 3$\\sigma$] of the Cherenkov light was 12 ns dominated by the time resolution of our photomultiplier tubes. The light yield of the scintillation was measured to be $(1.01\\pm0.12)\\times10^3\\ \\rm{photons}/\\rm{MeV}$.

  8. The study of basis sets for the calculation of the structure and dynamics of the benzene-Kr complex

    International Nuclear Information System (INIS)

    An ab initio intermolecular potential energy surface (PES) has been constructed for the benzene-krypton (BKr) van der Waals (vdW) complex. The interaction energy has been calculated at the coupled cluster level of theory with single, double, and perturbatively included triple excitations using different basis sets. As a result, a few analytical PESs of the complex have been determined. They allowed a prediction of the complex structure and its vibrational vdW states. The vibrational energy level pattern exhibits a distinct polyad structure. Comparison of the equilibrium structure, the dipole moment, and vibrational levels of BKr with their experimental counterparts has allowed us to design an optimal basis set composed of a small Dunning’s basis set for the benzene monomer, a larger effective core potential adapted basis set for Kr and additional midbond functions. Such a basis set yields vibrational energy levels that agree very well with the experimental ones as well as with those calculated from the available empirical PES derived from the microwave spectra of the BKr complex. The basis proposed can be applied to larger complexes including Kr because of a reasonable computational cost and accurate results

  9. The study of basis sets for the calculation of the structure and dynamics of the benzene-Kr complex

    Energy Technology Data Exchange (ETDEWEB)

    Shirkov, Leonid; Makarewicz, Jan, E-mail: jama@amu.edu.pl [Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań (Poland)

    2015-05-28

    An ab initio intermolecular potential energy surface (PES) has been constructed for the benzene-krypton (BKr) van der Waals (vdW) complex. The interaction energy has been calculated at the coupled cluster level of theory with single, double, and perturbatively included triple excitations using different basis sets. As a result, a few analytical PESs of the complex have been determined. They allowed a prediction of the complex structure and its vibrational vdW states. The vibrational energy level pattern exhibits a distinct polyad structure. Comparison of the equilibrium structure, the dipole moment, and vibrational levels of BKr with their experimental counterparts has allowed us to design an optimal basis set composed of a small Dunning’s basis set for the benzene monomer, a larger effective core potential adapted basis set for Kr and additional midbond functions. Such a basis set yields vibrational energy levels that agree very well with the experimental ones as well as with those calculated from the available empirical PES derived from the microwave spectra of the BKr complex. The basis proposed can be applied to larger complexes including Kr because of a reasonable computational cost and accurate results.

  10. Hydrogeologic characterization and assessment of bioremediation of chlorinated benzenes and benzene in wetland areas, Standard Chlorine of Delaware, Inc. Superfund Site, New Castle County, Delaware, 2009-12

    Science.gov (United States)

    Lorah, Michelle M.; Walker, Charles W.; Baker, Anna C.; Teunis, Jessica A.; Majcher, Emily H.; Brayton, Michael J.; Raffensperger, Jeff P.; Cozzarelli, Isabelle M.

    2014-01-01

    Wetlands at the Standard Chlorine of Delaware, Inc. Superfund Site (SCD) in New Castle County, Delaware, are affected by contamination with chlorobenzenes and benzene from past waste storage and disposal, spills, leaks, and contaminated groundwater discharge. In cooperation with the U.S. Environmental Protection Agency, the U.S. Geological Survey began an investigation in June 2009 to characterize the hydrogeology and geochemistry in the wetlands and assess the feasibility of monitored natural attenuation and enhanced bioremediation as remedial strategies. Groundwater flow in the wetland study area is predominantly vertically upward in the wetland sediments and the underlying aquifer, and groundwater discharge accounts for a minimum of 47 percent of the total discharge for the subwatershed of tidal Red Lion Creek. Thus, groundwater transport of contaminants to surface water could be significant. The major contaminants detected in groundwater in the wetland study area included benzene, monochlorobenzene, and tri- and di-chlorobenzenes. Shallow wetland groundwater in the northwest part of the wetland study area was characterized by high concentrations of total chlorinated benzenes and benzene (maximum about 75,000 micrograms per liter [μg/L]), low pH, and high chloride. In the northeast part of the wetland study area, wetland groundwater had low to moderate concentrations of total chlorinated benzenes and benzene (generally not greater than 10,000 μg/L), moderate pH, and high sulfate concentrations. Concentrations in the groundwater in excess of 1 percent of the solubility of the individual chlorinated benzenes indicate that a contaminant source is present in the wetland sediments as dense nonaqueous phase liquids (DNAPLs). Consistently higher contaminant concentrations in the shallow wetland groundwater than deeper in the wetland sediments or the aquifer also indicate a continued source in the wetland sediments, which could include dissolution of DNAPLs and

  11. Electrochemical degradation of benzene in natural water using silver nanoparticle-decorated carbon nanotubes

    International Nuclear Information System (INIS)

    In this study, a novel methodology for the electrochemical degradation of benzene in natural water using silver nanoparticle-decorated carbon nanotubes has been investigated. The morphology, the structure, and the electrochemical performance of the multi-walled carbon nanotubes-silver (MWCNT-Ag) nanocomposite film were characterised by transmission electron microscopy (TEM), X-ray diffraction (XRD), and cyclic voltammetry (CV), respectively. Electrocatalytic oxidation of benzene in an aqueous solution was studied to evaluate potential applications of the MWCNT-Ag modified glassy carbon (GC) electrode in environmental science. The benzene removal efficiency in natural water containing 10 mg L−1 benzene yielded 77.9% at an applied potential of +2.0 V for 2 h using the MWCNT-Ag-GC electrode. In comparison, the removal efficiency reached only 8.0% with the bare GC electrode, showing the suitability of the MWCNT-Ag nanocomposite modified GC electrode for electro-oxidation of benzene in natural water. - Graphical abstract: Display Omitted - Highlights: • A novel methodology for the electrochemical degradation of benzene was developed. • Sensor based on silver nanoparticle-decorated carbon nanotubes was used. • The proposed method is suitable and efficient for the removal of benzene

  12. Biodegradation of high concentrations of benzene vapors in a two phase partition stirred tank bioreactor

    Directory of Open Access Journals (Sweden)

    Karimi Ali

    2013-01-01

    Full Text Available Abstract The present study examined the biodegradation rate of benzene vapors in a two phase stirred tank bioreactor by a bacterial consortium obtained from wastewater of an oil industry refinery house. Initially, the ability of the microbial consortium for degrading benzene was evaluated before running the bioreactor. The gaseous samples from inlet and outlet of bioreactor were directly injected into a gas chromatograph to determine benzene concentrations. Carbone oxide concentration at the inlet and outlet of bioreactor were also measured with a CO2 meter to determine the mineralization rate of benzene. Influence of the second non-aqueous phase (silicon oil has been emphasized, so at the first stage the removal efficiency (RE and elimination capacity (EC of benzene vapors were evaluated without any organic phase and in the second stage, 10% of silicon oil was added to bioreactor media as an organic phase. Addition of silicon oil increased the biodegradation performance up to an inlet loading of 5580 mg/m3, a condition at which, the elimination capacity and removal efficiency were 181 g/m3/h and 95% respectively. The elimination rate of benzene increased by 38% in the presence of 10% of silicone oil. The finding of this study demonstrated that two phase partition bioreactors (TPPBs are potentially effective tools for the treatment of gas streams contaminated with high concentrations of poorly water soluble organic contaminant, such as benzene.

  13. Study of Humidity Effect on Benzene Decomposition by the Dielectric Barrier Discharge Nonthermal Plasma Reactor

    Science.gov (United States)

    Ma, Tianpeng; Zhao, Qiong; Liu, Jianqi; Zhong, Fangchuan

    2016-06-01

    The humidity effects on the benzene decomposition process were investigated by the dielectric barrier discharge (DBD) plasma reactor. The results showed that the water vapor played an important role in the benzene oxidation process. It was found that there was an optimum humidity value for the benzene removal efficiency, and at around 60% relative humidity (RH), the optimum benzene removal efficiency was achieved. At a SIE of 378 J/L, the removal efficiency was 66% at 0% RH, while the removal efficiency reached 75.3% at 60% RH and dropped to 69% at 80% RH. Furthermore, the addition of water inhibited the formation of ozone and NO2 remarkably. Both of the concentrations of ozone and NO2 decreased with increasing of the RH at the same specific input energy. At a SIE of 256 J/L, the concentrations of ozone and NO2 were 5.4 mg/L and 1791 ppm under dry conditions, whereas they were only 3.4 mg/L and 1119 ppm at 63.5% RH, respectively. Finally, the outlet gas after benzene degradation was qualitatively analyzed by FT-IR and GC-MS to determine possible intermediate byproducts. The results suggested that the byproducts in decomposition of benzene primarily consisted of phenol and substitutions of phenol. Based on these byproducts a benzene degradation mechanism was proposed. supported by National Natural Science Foundation of China (Nos. 11205007 and 11205029)

  14. Modulation of phase-II enzyme activities in benzene treated ovariectomized rats.

    Science.gov (United States)

    Verma, Yeshvandra; Rana, S V S

    2011-05-01

    The aim of the study was to determine the influence of ovariectomy on phase II enzymes viz. glutathione-S-transferase (GST), glutathione peroxidase (GPX) and catalase (CAT) in liver and kidney of female rats treated with benzene. The results showed the significant decrease of the GST and GPX activity in benzene treated rats after ovariectomy. However progesterone supplementation stimulated the activity of GST and GPX in liver and kidney of benzene treated non ovariectomized and ovariectomized rats. Progesterone supplementation to benzene treated ovariectomized rats helps to gain in CAT activity. Our results on DNA damage using single cell gel electrophoresis also confirmed our findings on antioxidant enzymes. The results showed that lack of protective progesterone against benzene toxicity is reflected in alterations in antioxidant enzyme activities. However progesterone therapy to benzene treated ovariectomized rats results in activating the antioxidant defence system. Since female workers are engaged in industrial sector, these results are important from occupational health point of view. Benzene exposure affects their reproductive health. Nevertheless, it could be modulated by suitable hormonal therapy. PMID:21787707

  15. Electrochemical degradation of benzene in natural water using silver nanoparticle-decorated carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Cesarino, Ivana, E-mail: ivana@iqsc.usp.br [Instituto de Química de São Carlos, Universidade de São Paulo, C.P. 780, 13560-970, São Carlos, SP (Brazil); Cesarino, Vivian; Moraes, Fernando C.; Ferreira, Tanare C.R.; Lanza, Marcos R.V. [Instituto de Química de São Carlos, Universidade de São Paulo, C.P. 780, 13560-970, São Carlos, SP (Brazil); Mascaro, Lucia H. [Departamento de Química, Universidade Federal de São Carlos, C.P. 676, 13560-970, São Carlos, SP (Brazil); Machado, Sergio A.S. [Instituto de Química de São Carlos, Universidade de São Paulo, C.P. 780, 13560-970, São Carlos, SP (Brazil)

    2013-08-15

    In this study, a novel methodology for the electrochemical degradation of benzene in natural water using silver nanoparticle-decorated carbon nanotubes has been investigated. The morphology, the structure, and the electrochemical performance of the multi-walled carbon nanotubes-silver (MWCNT-Ag) nanocomposite film were characterised by transmission electron microscopy (TEM), X-ray diffraction (XRD), and cyclic voltammetry (CV), respectively. Electrocatalytic oxidation of benzene in an aqueous solution was studied to evaluate potential applications of the MWCNT-Ag modified glassy carbon (GC) electrode in environmental science. The benzene removal efficiency in natural water containing 10 mg L{sup −1} benzene yielded 77.9% at an applied potential of +2.0 V for 2 h using the MWCNT-Ag-GC electrode. In comparison, the removal efficiency reached only 8.0% with the bare GC electrode, showing the suitability of the MWCNT-Ag nanocomposite modified GC electrode for electro-oxidation of benzene in natural water. - Graphical abstract: Display Omitted - Highlights: • A novel methodology for the electrochemical degradation of benzene was developed. • Sensor based on silver nanoparticle-decorated carbon nanotubes was used. • The proposed method is suitable and efficient for the removal of benzene.

  16. The role of C-H$\\ldots$ interaction in the stabilization of benzene and adamantane clusters

    Indian Academy of Sciences (India)

    R Mahesh Kumar; M Elango; R Parthasarathi; Dolly Vijay; V Subramanian

    2012-01-01

    In this investigation, a systematic attempt has been made to understand the interaction between adamantane and benzene using both ab initio and density functional theory methods. C-H$\\ldots$ type of interaction between C-H groups of adamantane and cloud of benzene is found as the important attraction for complex formation. The study also reveals that the methylene (-CH2) and methine (-CH) groups of adamantane interact with benzene resulting in different geometrical structures. And it is found that the former complex is stronger than the later. The diamondoid structure of adamantane enables it to interact with a maximum of four benzene molecules, each one along the four faces. The stability of the complex increases with increase in the number of benzene molecules. The energy decomposition analysis of adamantane-benzene complexes using DMA approach shows that the origin of the stability primarily arises from the dispersive interaction. The theory of atoms in molecules (AIM) supports the existence of weak interaction between the two systems. The electrostatic topography features provide clues for the mode of interaction of adamantane with benzene.

  17. Biodegradation of High Concentrations of Benzene Vapors in a Two Phase Partition Stirred Tank Bioreactor

    Directory of Open Access Journals (Sweden)

    Ali Karimi

    2013-01-01

    Full Text Available The present study examined the biodegradation rate of benzene vapors in a two phase stirred tank bioreactor by a bacterial consortium obtained from wastewater of an oil industry refinery house. Initially, the ability of the microbial consortium for degrading benzene was evaluated before running the bioreactor. The gaseous samples from inlet and outlet of bioreactor were directly injected into a gas chromatograph to determine benzene concentrations. Carbone oxide concentration at the inlet and outlet of bioreactor were also measured with a CO2 meter to determine the mineralization rate of benzene. Influence of the second non-aqueous phase (silicon oil has been emphasized, so at the first stage the removal efficiency (RE and elimination capacity (EC of benzene vapors were evaluated without any organic phase and in the second stage, 10% of silicon oil was added to bioreactor media as an organic phase. Addition of silicon oil increased the biodegradation performance up to an inlet loading of 5580?mg/m3, a condition at which, the elimination capacity and removal efficiency were 181?g/m3/h and 95% respectively. The elimination rate of benzene increased by 38% in the presence of 10% of silicone oil. The finding of this study demonstrated that two phase partition bioreactors (TPPBs are potentially effective tools for the treatment of gas streams contaminated with high concentrations of poorly water soluble organic contaminant, such as benzene.

  18. Retrospective benzene exposure assessment for a multi-center case-cohort study of benzene-exposed workers in China.

    Science.gov (United States)

    Portengen, Lützen; Linet, Martha S; Li, Gui-Lan; Lan, Qing; Dores, Graça M; Ji, Bu-Tian; Hayes, Richard B; Yin, Song-Nian; Rothman, Nathaniel; Vermeulen, Roel

    2016-05-01

    Quality of exposure assessment has been shown to be related to the ability to detect risk of lymphohematopoietic disorders in epidemiological investigations of benzene, especially at low levels of exposure. We set out to build a statistical model for reconstructing exposure levels for 2898 subjects from 501 factories that were part of a nested case-cohort study within the NCI-CAPM cohort of more than 110,000 workers. We used a hierarchical model to allow for clustering of measurements by factory, workshop, job, and date. To calibrate the model we used historical routine monitoring data. Measurements below the limit of detection were accommodated by constructing a censored data likelihood. Potential non-linear and industry-specific time-trends and predictor effects were incorporated using regression splines and random effects. A partial validation of predicted exposures in 2004/2005 was performed through comparison with full-shift measurements from an exposure survey in facilities that were still open. Median cumulative exposure to benzene at age 50 for subjects that ever held an exposed job (n=1175) was 509 mg/m(3) years. Direct comparison of model estimates with measured full-shift personal exposure in the 2004/2005 survey showed moderate correlation and a potential downward bias at low (<1 mg/m(3)) exposure estimates. The modeling framework enabled us to deal with the data complexities generally found in studies using historical exposure data in a comprehensive way and we therefore expect to be able to investigate effects at relatively low exposure levels. PMID:26264985

  19. Benzene dispersion and natural attenuation in an alluvial aquifer with strong interactions with surface water

    Science.gov (United States)

    Batlle-Aguilar, Jordi; Brouyère, Serge; Dassargues, Alain; Morasch, Barbara; Hunkeler, Daniel; Höhener, Patrick; Diels, Ludo; Vanbroekhoven, Karolien; Seuntjens, Piet; Halen, Henri

    2009-05-01

    SummaryField and laboratory investigations have been conducted at a former coke plant, in order to assess pollutant attenuation in a contaminated alluvial aquifer, discharging to an adjacent river. Various organic (BTEX, PAHs, mineral oils) and inorganic (As, Zn, Cd) compounds were found in the aquifer in concentrations exceeding regulatory values. Due to redox conditions of the aquifer, heavy metals were almost immobile, thus not posing a major risk of dispersion off-site the brownfield. Field and laboratory investigations demonstrated that benzene, among organic pollutants, presented the major worry for off-site dispersion, mainly due to its mobility and high concentration, i.e. up to 750 mg L -1 in the source zone. However, benzene could never be detected near the river which is about 160 m downgradient the main source. Redox conditions together with benzene concentrations determined in the aquifer have suggested that degradation mainly occurred within 100 m distance from the contaminant source under anoxic conditions, and most probably with sulphate as main oxidant. A numerical groundwater flow and transport model, calibrated under transient conditions, was used to simulate benzene attenuation in the alluvial aquifer towards the Meuse River. The mean benzene degradation rate used in the model was quantified in situ along the groundwater flow path using compound-specific carbon isotope analysis (CSIA). The results of the solute transport simulations confirmed that benzene concentrations decreased almost five orders of magnitude 70 m downgradient the source. Simulated concentrations have been found to be below the detection limit in the zone adjacent to the river and consistent with the absence of benzene in downgradient piezometers located close to the river reported in groundwater sampling campaigns. In a transient model scenario including groundwater-surface water dynamics, benzene concentrations were observed to be inversely correlated to the river water

  20. Effect of benzene on the cerebellar structure and behavioral characteristics in rats

    Institute of Scientific and Technical Information of China (English)

    Ali; Rafati; Mahboobeh; Erfanizadeh; Ali; Noorafshan; Saied; Karbalay-Doust

    2015-01-01

    Objective: To investigate the effects of benzene on rat’s cerebellum structure and behavioral characteristics, including anxiety and motor impairment.Methods: Twenty rats were randomly allocated into two groups orally receiving distilled water and benzene(200 mg/kg/day). A total of 10 rats were used at the beginning of benzene exposure. Two rats died during benzene treatment and 8 rats remained for evaluation of the behavioral test and finally 6 rats underwent histological assessment. At the end of the 4th week, motor function and anxiety were evaluated in rotarod test and elevated plus maze, respectively. Besides, the cerebellum was dissected for structural assessment using stereological methods.Results: Performance of the benzene-treated rats in fixed and accelerating speed rotarod was impaired and their riding time(endurance) was lower compared to the control group(P = 0.02). The benzene-treated rats also spent less time in the open arms and had fewer entrances to the open arms in comparison to the control group, indicating anxiety(P = 0.01). The total volume of the cerebellar hemisphere, its cortex, intracerebellar nuclei, total number of the Purkinje, Bergmann, Golgi, granule, neurons and glial cells of the molecular layer, and neurons and glial cells of the intracerebellar nuclei were reduced by 34%-76% in the benzene-treated rats in comparison to the distilled water group(P = 0.003). The most cell loss was seen in Bergmann glia. Conclusions: The structure of cerebellum altered after benzene treatment. In addition, motor impairment and anxiety could be seen in benzene-treated rats.

  1. Effect of benzene on the cerebellar structure and behavioral characteristics in rats

    Institute of Scientific and Technical Information of China (English)

    Ali Rafati; Mahboobeh Erfanizadeh; Ali Noorafshan; Saied Karbalay-Doust

    2015-01-01

    Objective:To investigate the effects of benzene on rat’s cerebellum structure and behavioral characteristics, including anxiety and motor impairment. Methods:Twenty rats were randomly allocated into two groups orally receiving distilled water and benzene (200 mg/kg/day). A total of 10 rats were used at the beginning of benzene exposure. Two rats died during benzene treatment and 8 rats remained for evaluation of the behavioral test and finally 6 rats underwent histological assessment. At the end of the 4th week, motor function and anxiety were evaluated in rotarod test and elevated plus maze, respectively. Besides, the cerebellum was dissected for structural assessment using stereological methods. Results:Performance of the benzene-treated rats in fixed and accelerating speed rotarod was impaired and their riding time (endurance) was lower compared to the control group (P=0.02). The benzene-treated rats also spent less time in the open arms and had fewer entrances to the open arms in comparison to the control group, indicating anxiety (P=0.01). The total volume of the cerebellar hemisphere, its cortex, intracerebellar nuclei, total number of the Purkinje, Bergmann, Golgi, granule, neurons and glial cells of the molecular layer, and neurons and glial cells of the intracerebellar nuclei were reduced by 34%-76%in the benzene-treated rats in comparison to the distilled water group (P=0.003). The most cell loss was seen in Bergmann glia. Conclusions:The structure of cerebellum altered after benzene treatment. In addition, motor impairment and anxiety could be seen in benzene-treated rats.

  2. EFFECTIVENESS OF WASTE STABILIZATION PONDS IN REMOVAL OF LINEAR ALKYL BENZENE SALFONATE (LAS

    Directory of Open Access Journals (Sweden)

    Ahmed. M. Abdel-Rahman

    2013-06-01

    Full Text Available Detergents contain synthetic or organic surface active agents called surfactants, which are derived from petroleum product precursors. They have the common property of lowering the surface tensions of water thus allowing dirt or grease adhered to various articles to be washed off. Linear alkyl benzene sulfonate (LAS is a most commonly used anionic surfactant. Discharge of raw or treated wastewater containing this chemical substance into the environment causes major public health and enviromental problems. In this study, samples were taken from raw wastewater and effluents of treatment ponds of Elzaraby waste stabilization ponds over a period of one year. The treated effluent is either discharged into surface waters or re-used in agricultural irrigation. The samples were analyzed according to the standard methods. The results obtained from the samples taken in different seasons showed that the highest overall removal efficiency of LAS was achieved in summer season (77%, and the least efficiency was observed in Winter season (55%, while the maximum overall efficiency of BOD5 was in summer (88% and minimum efficiency was (73% in winter season. The Dissolved oxygen concentrations along the pond series (DO ranged from 0.18 to 4.8 mg/l.

  3. Direct hydroxylation of benzene to phenol - aspects of catalysts development and reaction kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Unger, A.; Hiemer, U.; Schwieger, W. [Lehrstuhl fuer Technische Chemie 1, Erlangen-Nuernberg, Erlangen (Germany); Reitzmann, A. [Inst. fuer Chemische Verfahrenstechnik (CVT), Karlsruhe Univ. (Germany); Klemm, E. [DEGUSSA AG, Service Unit Process Technology, Hanau-Wolfgang (Germany)

    2002-07-01

    An alternative route for phenol synthesis is the direct hydroxylation of benzene with nitrous oxide over zeolite catalysts of the ZSM5-type. The disadvantage of this pathway to phenol is the fact that a technically suitable catalyst is not yet available. This is due to low yields and fast deactivation behaviour of the presently-used catalysts. From a scientific point of view one has to state that the reaction mechanism of this single-step reaction is still not clear. The catalyst development requires a systematic study with respect to the chemical, structural and/or morphological properties of the catalytic materials that might have an influence on the performance of the catalyst and/or on the reaction itself. The chance to design the catalyst in a desired way is given by the large variety of parameters that can influence the properties of the zeolite during the synthesis itself or during following post-modification processes. Kinetic measurements offer the possibility to identify mechanism of the reaction and therefore allow conclusions for further improvements of the catalyst design and the reaction conditions itself. The combination of results of both research directions should open an opportunity to derive structure-activity relationships to provide a suitable catalyst for an industrial application. In the present paper we will show first results of an attempt following this described way. (orig.)

  4. Bond Energy Sums in Benzene, Cyclohexatriene and Cyclohexane Prove Resonance Unnecessary

    CERN Document Server

    Heyrovska, Raji

    2008-01-01

    The recent new structure of benzene shows that it consists of three C atoms of radii as in graphite alternating with three C atoms with double bond radii. This is different from the hypothetical cyclohexatriene (Kekule structure) involving alternate double and single bonds. It was shown that the difference in the bond energy sum of the atomic structure of benzene from that of the Kekule structure is the energy (erroneously) assumed to be due to resonance. Here it is shown that the present structure of benzene also explains the energy of hydrogenation into cyclohexane and its difference from that of cyclohexatriene.

  5. Survey of Recycled Nano Magnetic Particle in Benzene Removal from Aqueous Solution

    OpenAIRE

    Amin M.M.; Bina B.; Samani Majd A.M.; Pourzamani H.

    2013-01-01

    The removal of benzene, a hazardous monoaromatic compound, from aqueous solution by recycled nano magnetic particle (NM) Fe3O4 in batch condition was evaluated. Regeneration studies verified that the benzene adsorbed by the NM could be easily desorbed by temperature. So that the benzene removal effi-ciency was 98.7% for raw NM, 97.8% for first recycled NM and 97.4 percent for second recycled NM. It is expected that the Fe3O4 nanoparticles with fine grain size (20-30 nm) will be used as one of...

  6. Spin Polarization Inversion at Benzene-Absorbed Fe4N Surface

    KAUST Repository

    Zhang, Qian

    2015-05-27

    We report a first-principle study on electronic structure and simulation of the spin-polarized scanning tunneling microscopy graphic of a benzene/Fe4N interface. Fe4N is a compound ferromagnet suitable for many spintronic applications. We found that, depending on the particular termination schemes and interface configurations, the spin polarization on the benzene surface shows a rich variety of properties ranging from cosine-type oscillation to polarization inversion. Spin-polarization inversion above benzene is resulting from the hybridizations between C pz and the out-of-plane d orbitals of Fe atom.

  7. Densities, Ultrasonic Speeds, Viscosities and Refractive Indices of Binary Mixtures of Benzene with Benzyl Alcohol,Benzonitrile, Benzoyl Chloride and Chlorobenzene at 303.15 K

    Institute of Scientific and Technical Information of China (English)

    ALI,A.; PANDEY,J.D.; SONI,N.K.; NAIN,A.K.; LAL,B.; CHAND,D.

    2005-01-01

    Densities, p, ultrasonic speeds, u, viscosities, η, and refractive indices, n, of pure benzene, benzyl alcohol (BA),benzonitrile (BN), benzoyl chloride (BC), chlorobenzene (CB) and their thirty six binary mixtures, with benzene as common component, were measured at 303.15 K over the entire mole fraction range. From these experimental data the values of deviations in ultrasonic speed, Au, isentropic compressibility, Δks, excess acoustic impedance, ZE, deviation in viscosity, Δη, and excess Gibbs free energy of activation of viscous flow, G*E, and partial molar isentropic compressibility, Kφ,2 of BA, BN, BC and CB in benzene were computed. The variation of these derived functions with composition of the mixtures suggested the increased cohesion (molecular order) in the solution and that interaction (A-B)>(A-A) or (B-B). Moreover, theoretical prediction of ultrasonic speed, viscosity and refractive index of all the four binary mixtures was made on the basis of empirical and semi-empirical relations by using the experimental values of the pure components. Comparison of theoretical results with the experimental values was made in order to assess the suitability of these relations in reproducing the experimental values of u, η and n. Also, molecular radii of pure liquids and the average molecular radii of binary mixtures were evaluated using the corresponding refractive indices of pure liquids and binary mixtures. The average molecular radii of binary mixtures were found to be additive with respect to mole fraction of the pure component.

  8. A comparison of benzene, toluene and C{sub 2}-benzenes mixing ratios in automotive exhaust and in the suburban atmosphere during the introduction of catalytic converter technology to the Swiss Car Fleet

    Energy Technology Data Exchange (ETDEWEB)

    Heeb, N.V.; Forss, A.-M.; Bach, C.; Reimann, S.; Herzog, A.; Jackle, H.W. [Swiss Federal Laboratories for Materials Testing and Research, Duebendorf (Switzerland)

    2000-07-01

    Time-resolved chemical ionization mass spectrometry (CIMS) has been used to investigate the variations of the mixing ratios of benzene, toluene and the C{sub 2}-benzenes (xylenes and ethyl benzene) in automotive exhaust during transient engine operation. A significant increase of the benzene/toluene ratios from 0.35 to 1.31 (median) was found upon introduction of a catalytic converter system. A preliminary emission model was developed from these test stand measurements to simulate benzene/toluene ratios of passenger car fleets with variable proportions of three-way catalyst vehicles. Although only the emissions of gasoline-driven passenger cars have been considered so far, the predicted increase of the benzene/toluene ratios during the introduction period of the three-way catalyst from 1980 to 2000 is in good agreement with the observed increase of the atmospheric benzene/toluene ratio measured at a suburban monitoring site (Dubendorf, Switzerland) which is strongly influenced by road traffic emissions. At this site, the atmospheric concentrations of benzene and alkyl benzenes have been detected at hourly intervals since 1993. A steady decrease of the yearly mean from 3.54 to 2.00 ppb for toluene and from 2.87 to 1.33 ppb for the sum of C{sub 2}-benzenes was found from 1994 to 1998, respectively, when the proportion of three-way catalyst passenger cars increased from 60 to 82%. Nevertheless, the mean benzene concentration was only affected to a small degree (from 1.10 to 0.97 ppb) within the same period of time. Thus, the observed increase of the atmospheric benzene/toluene-mixing ratios from 0.32 to 0.58 (mean) is in good agreement with the predicted values from the presented emission model. Reduced catalyst conversion efficiency for benzene with respect to alkylated benzenes can explain most of the observed increase of the benzene/toluene and benzene/C{sub 2}-benzenes mixing rations. In addition, benzene emissions e.g. from the class of light duty vehicles, which

  9. A lack of consensus in the literature findings on the removal of airborne benzene by houseplants: Effect of bacterial enrichment

    Science.gov (United States)

    Sriprapat, Wararat; Strand, Stuart E.

    2016-04-01

    Removal rates of benzene and formaldehyde gas by houseplants reported by several laboratories varied by several orders of magnitude. We hypothesized that these variations were caused by differential responses of soil microbial populations to the high levels of pollutant used in the studies, and tested responses to benzene by plants and soils separately. Five houseplant species and tobacco were exposed to benzene under hydroponic conditions and the uptake rates compared. Among the test plants, Syngonium podophyllum and Chlorophytum comosum and Epipremnum aureum had the highest benzene removal rates. The effects of benzene addition on populations of soil bacteria were determined using reverse transcription quantitative PCR (RT-qPCR) assays targeting microbial genes involved in benzene degradation. The total bacterial population increased as shown by increases in the levels of eubacteria 16S rRNA, which was significantly higher in the high benzene incubations than in the low benzene incubations. Transcripts (mRNA) of genes encoding phenol monooxygenases, catechol-2,3-dioxygenase and the housekeeping gene rpoB increased in all soils incubated with high benzene concentrations. Therefore the enrichment of soils with benzene gas levels typical of experiments with houseplants in the literature artificially increased the levels of total soil bacterial populations, and especially the levels and activities of benzene-degrading bacteria.

  10. Moessbauer studies of bridged ferrocenophane derivative's polyiodides

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Masanobu; Sato, Kumiko; Motoyama, Izumi; Sano, Hirotoshi (Tokyo Metropolitan Univ. (Japan). Faculty of Science)

    1983-11-01

    (2)Ferrocenophanes, the ring tilted ferrocene derivatives, were oxidized with iodine in benzene and studied by means of Moessbauer spectroscopy. The quadrupole splitting value of the compounds is found to be 3.70 mms/sup -1/ at 78K, which is one of the largest found in ferrocene derivatives, suggesting the presence of a strong direct interaction between iron atoms and iodine atoms. The results were compared with (3) and (4)ferrocenophane's polyiodides.

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

    International Nuclear Information System (INIS)

    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

  12. CH/pi interaction between benzene and hydrocarbons having six carbon atoms in their binary liquid mixtures.

    Science.gov (United States)

    Kasahara, Yasutoshi; Suzuki, Yuji; Kabasawa, Aino; Minami, Hideyuki; Matsuzawa, Hideyo; Iwahashi, Makio

    2010-01-01

    Molecular interactions between benzene and hydrocarbons having six carbon atoms, such as hexane, cyclohexane and 1-hexene in their binary liquid mixtures were studied through the measurements of density, viscosity, self-diffusion coefficient, (13)C NMR spin-lattice relaxation time and (1)H NMR chemical shift. CH/pi attraction between hexane and benzene in their binary mixture was observed in a relatively benzene rich region, whereas a special attractive interaction was not observed between cyclohexane and benzene. On the other hand, 1-hexene and benzene in their binary mixtures were characteristic in their self-diffusion coefficient behaviors: 1-hexene more strongly attract benzene not only by the CH/pi attraction but also probably by the p/p interaction between the double bond in 1-hexene and the p-electron in benzene ring. PMID:20032596

  13. Benzene and MTBE Sorption in Fine Grain Sediments

    Science.gov (United States)

    Leal-Bautista, R. M.; Lenczewski, M. E.

    2003-12-01

    The practice of adding methyl tert-butyl ether (MTBE) to gasoline started in the late 1970s and increased dramatically in the 1990s. MTBE first was added as a substitute for tetra-ethyl lead then later as a fuel oxygenate. Although the use of MTBE has resulted in significant reduction in air pollution, it has become a significant groundwater contaminant due to its high solubility in water, high environmental mobility, and low potential for biodegradation. A recent report (1999-2001) by the Metropolitan Water District of Southern California in collaboration with United State Geological Survey and the Oregon Health and Science University found that MTBE was the second most frequent detected volatile organic compound in groundwater. In Illinois, MTBE has been found in 26 of the 1,800 public water supplies. MTBE has also been blended in Mexico into two types of gasoline sold in the country by the state oil company (PEMEX) but is not monitored in groundwater at this time. Early research on MTBE considered it unable to adsorb to soils and sediments, however, by increasing the organic matter and decreasing the size of the grains (silts or clays) this may increase sorption. The objective of this study is to determine if fine grained materials have the potential for sorption of MTBE due to its high specific surface area (10-700 m 2/g) and potentially high organic matter (0.5-3.8%). The experiment consisted of sorption isotherms to glacial tills from DeKalb, Illinois and lacustrine clays from Chalco, Mexico. Experiments were performed with various concentrations of MTBE and benzene (10, 50, 100, 500 and 1000 ug/L) at 10° C and 25° C. Results showed a range of values for the distribution coefficient (Kd, linear model). At 10° C the Kd value for MTBE was 0.187 mL/g for lacustrine clay while the glacial loess had a value of 0.009 mL/g. The highest Kd values with MTBE were 0.2859 mL/g for organic rich lacustrine clays and 0.014 mL/g for glacial loess at 25° C. The highest

  14. Kinetics of Liquid-Phase Hydrogenation of Benzene in a Metal Hydride Slurry System Formed by M1Ni5 and Benzene

    Institute of Scientific and Technical Information of China (English)

    代世耀; 徐国华; 安越; 陈长聘; 陈立新; 王启东

    2003-01-01

    The kinetics of liquid-phase hydrogenation of benzene in misch metal nickel-five (M1Ni5) and benzene slurry system was studied by investigating the influences of the reaction temperature, pressure, alloy concentration and stirring speed on the mass transfer-reaction processes inside the slurry. The results show that the whole process is controlled by the reaction at the surface of the catalyst. The mass transfer resistance at gas-liquid interface and that from the bulk liquid phase to the surface of the catalyst particles are negligible. The apparent reaction rate is zero order for benzene concentration and first order for hydrogen concentration in the liquid phase. The kinetic model obtained fits the experimental data very well. The apparent activation energy of the hydrogen absorption reaction of M1Ni5-C6H6 slurry system is 42.16 kJ·mo1-1.

  15. Decomposition of benzene in air streams by UV/TiO2 process

    International Nuclear Information System (INIS)

    Photocatalytic decomposition of gaseous benzene at room temperature was studied with a fixed-bed annular reactor using titania as the photocatalyst. The effects of humidity, UV light intensity and benzene concentration on the conversion and mineralization of benzene were presented. Experimental results can be adequately described by using the Langmuir-Hinshelwood (L-H) kinetic model. The concentration distribution of benzene in the annular reactors of various dimensions can be described by combining the reactor design equation with L-H kinetics. Deactivation of catalyst was observed and attributed to the adsorption of reaction intermediates on TiO2 surface. The deactivated TiO2 catalyst could be photochemically regenerated by ozone-purging in the presence of humidity

  16. Very low-energy electron scattering from benzene: experiment and theory

    International Nuclear Information System (INIS)

    Low-energy collision studies have shown that the scattering cross section for electrons by benzene rises sharply at electron impact energies below ∼200 meV. This was attributed in earlier work to electron attachment and formation of benzene anions with lifetimes τ≥1 μs. A detailed study of electron attachment to benzene is reported here that makes use of Rydberg atom techniques. The data provide no evidence for the formation of long-lived benzene anions, although a small collisional ionization signal is observed which is consistent with the formation of short-lived excited anions (τ≤3 ps). An alternative explanation for the rapid rise in cross section at low energy is presented, based on ab initio scattering calculations. These calculations indicate that virtual state scattering takes place at low energies. Possible implications of this are briefly discussed. (author)

  17. DFT study of benzene and CO co-adsorption on PtCo(1 1 1)

    International Nuclear Information System (INIS)

    Co-adsorption of benzene and CO on PtCo(1 1 1) surface at low coverage is studied using density functional theory calculations. We investigated the PtCo FCT alloy surface with a uniform distribution. The most favorable site for CO is top on a Pt atom whereas for benzene is an HCP hollow site (formed by 2 Pt atoms and 1 Co atom). The co-adsorption energy is −1.62 eV. The calculations indicate a CO molecule with a ∼4° tilt angle with the normal to the surface. The most important bond is Pt-CCO, as revealed by overlap population analysis. A very small CO–benzene interaction is also detected. The vibrational frequencies of adsorbed benzene and CO were also computed.

  18. Benzene adsorption on PtCo(1 1 1): A DFT study

    International Nuclear Information System (INIS)

    Adsorption benzene on PtCo(1 1 1) surface at low coverage is investigated using density functional theory calculations. We have investigated the PtCo FCT alloy surface with a uniform distribution and two-benzene orientation on the surface. It was found that the most favorable site is a Co-Co bridge with an adsorption energy of −0.37 eV. A large buckling for the first Co and Pt atoms on the surface layers and a 17–30° H-tilt angles are found. The bonding analysis indicates that C-C and C-H bonding increase while Pt-Pt, Co-Co and Pt-Co decrease 13.2, 73 and 33%, respectively, after adsorption benzene. The vibrational frequencies of adsorbed benzene were also calculated.

  19. Desorption of silver atoms from benzene-covered Ag(1 1 1) by energetic Ar+ bombardment

    International Nuclear Information System (INIS)

    Experiments have been conducted to gain insight into the processes of desorption of neutral species from surfaces covered with organic molecules due to bombardment with keV particles. The system is comprised of benzene molecules adsorbed onto Ag(1 1 1) and bombarded with 8 keV Ar+ ions. Molecular dynamics (MD) simulations of the same system have been performed. Results show that the presence of the benzene alters the yield, the kinetic energy distributions, and the angular distributions of the silver atoms. These changes of the desorption characteristics are the result of collisions between the Ag atoms and the benzene molecules adsorbed to the surface. As more benzene is adsorbed to the surface, the changes to the Ag atom desorption characteristics become more pronounced. The simulations reproduce the modifications to the Ag atom energy and angle distributions

  20. Reverse isotope dilution method for determining benzene and metabolites in tissues

    Energy Technology Data Exchange (ETDEWEB)

    Bechtold, W.E.; Sabourin, P.J.; Henderson, R.F.

    1988-07-01

    A method utilizing reverse isotope dilution for the analysis of benzene and its organic soluble metabolites in tissues of rats and mice is presented. Tissues from rats and mice that had been exposed to radiolabeled benzene were extracted with ethyl acetate containing known, excess quantities of unlabeled benzene and metabolites. Butylated hydroxytoluene was added as an antioxidant. The ethyl acetate extracts were analyzed with semipreparative reversed-phase HPLC. Isolated peaks were collected and analyzed for radioactivity (by liquid scintillation spectrometry) and for mass (by UV absorption). The total amount of each compound present was calculated from the mass dilution of the radiolabeled isotope. This method has the advantages of high sensitivity, because of the high specific activity of benzene, and relative stability of the analyses, because of the addition of large amounts of unlabeled carrier analogue.

  1. Biomonitoring of benzene and toluene in human blood by headspace-solid-phase microextraction

    Energy Technology Data Exchange (ETDEWEB)

    Schimming, E.; Levsen, K. [Fraunhofer-Institut fuer Toxikologie und Aerosolforschung (ITA), Hannover (Germany); Koehme, C.; Schuermann, W. [Medizinische Hochschule Hannover (Germany). Abt. fuer Pneumologie

    1999-01-01

    A simple and rapid method for the determination of benzene and toluene in whole blood by headspace-solid-phase microextraction (HS-SPME) is described. Using SPME fibres coated with 65 {mu}m carboxene/polydimethylsiloxane, limits of quantification (LOQ) of 5 ng/L for benzene and 25 ng/L for toluene are achieved. As a result of its large linear range (i.e. 5-5000 ng/L for benzene) the method is suitable for biomonitoring of both occupationally and environmentally exposed people. The reproducibility of the determination of benzene is {<=} 8%. An interlaboratory comparison demonstrated that the method proposed here compares favorably with existing methods (dynamic headspace, purge and trap). (orig.) With 2 figs., 2 tabs., 10 refs.

  2. Prevention of benzene-induced myelotoxicity by nonsteroidal anti-inflammatory drugs

    Energy Technology Data Exchange (ETDEWEB)

    Kalf, G.F.; Schlosser, M.J.; Renz, J.F.; Pirozzi, S.J. (Jefferson Medical College of Thomas Jefferson Univ., Philadelphia, PA (USA))

    1989-07-01

    Benzene affects hematopoietic progenitor cells leading to bone marrow depression and genotoxic effects such as micronucleus formation. Progenitor cell proliferation and differentiation are inhibited by prostaglandins produced by macrophages. Administration of benzene to DBA/2 or C57BL/6 mice caused a dose-dependent bone marrow depression and a significant increase in marrow prostaglandin E level and both were prevented by the coadministration of indomethacin and other inhibitors of the cyclooxygenase component of prostaglandin H synthase. Levels of benzene that decreased bone marrow cellularity also caused genotoxic effects measured as increased micronucleated polychromatic erythrocytes in peripheral blood, which was also prevented by the coadministration of indomethacin. These results suggest a possible role for prostaglandin synthase in benzene myelotoxicity; a mechanism by which this might occur is presented.

  3. Inhibition of Ps Formation in Benzene and Cyclohexane by CH3CI and CH3Br

    DEFF Research Database (Denmark)

    Wikander, G.; Mogensen, O. E.; Pedersen, Niels Jørgen

    1983-01-01

    Positron-annihilation lifetime spectra have been measured for mixtures of CH3Cl and CH3Br in cyclohexane and of CH3Cl in benzene. The ortho-positronium (Ps) yield decreased monotonically from 38% and 43% in cyclohexane and benzene respectively to 11% in pure CH3Cl and 6% in pure CH3Br. The strength...... electron from the CH3X− anions to form Ps. while it forms a bound state with the halides. X−. CH3Cl was a roughly three times weaker Ps inhibitor in benzene than in cyclohexane, which shows that CH3Cl− does not dechlorinate in times comparable to or shorter than 400–500 ps in benzene. An improved model for...

  4. Hydrogen isotope exchange between boranes and deuterated aromatic hydrocarbons: evidence for reversible hydroboration of benzene

    International Nuclear Information System (INIS)

    Pentaborane, B5H9, and diborane, B2H6, undergo hydrogen isotope exchange with deuterated aromatic hydrocarbons. Lewis acid catalyzed hydrogen isotope exchange occurs between benzene-d6 and the apical hydrogen atom of B5H9 to form 1-DB5H8 at ambient temperature. In uncatalyzed exchanges, B5H9 reacts with deuterated aromatic hydrocarbons to produce 1,2,3,4,5-D5B5H4 at +450C and B5D9 at +1200C. This thermally induced hydrogen isotope exchange apparently occurs via a reversible hydroboration of the aromatic ring. Diborane undergoes a similar isotope exchange with benzene-d6 under mild thermal conditions. 18 references, 6 figures, 3 tables

  5. Benzene metabolism by human liver microsomes in relation to cytochrome P450 2E1 activity.

    Science.gov (United States)

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

    1994-09-01

    Low levels of benzene from sources including cigarette smoke and automobile emissions are ubiquitous in the environment. Since the toxicity of benzene probably results from oxidative metabolites, an understanding of the profile of biotransformation of low levels of benzene is critical in making a valid risk assessment. To that end, we have investigated metabolism of a low concentration of [14C]benzene (3.4 microM) by microsomes from human, mouse and rat liver. The extent of phase I benzene metabolism by microsomal preparations from 10 human liver samples and single microsomal preparations from both mice and rats was then related to measured activities of cytochrome P450 (CYP) 2E1. Measured CYP 2E1 activities, as determined by hydroxylation of p-nitrophenol, varied 13-fold (0.253-3.266 nmol/min/mg) for human samples. The fraction of benzene metabolized in 16 min ranged from 10% to 59%. Also at 16 min, significant amounts of oxidative metabolites were formed. Phenol was the main metabolite formed by all but two human microsomal preparations. In those samples, both of which had high CYP 2E1 activity, hydroquinone was the major metabolite formed. Both hydroquinone and catechol formation showed a direct correlation with CYP 2E1 activity over the range of activities present. A simulation model was developed based on a mechanism of competitive inhibition between benzene and its oxidized metabolites, and was fit to time-course data for three human liver preparations. Model calculations for initial rates of benzene metabolism ranging from 0.344 to 4.442 nmol/mg/min are directly proportional to measured CYP 2E1 activities. The model predicted the dependence of benzene metabolism on the measured CYP 2E1 activity in human liver samples, as well as in mouse and rat liver samples. These results suggest that differences in measured hepatic CYP 2E1 activity may be a major factor contributing to both interindividual and interspecies variations in hepatic metabolism of benzene

  6. Experimental research on benzene detection using ion mobility spectrometer with a laser ionization source

    Institute of Scientific and Technical Information of China (English)

    LIU Xian-yun; KONG Xiang-he; JI Ren-dong; ZHANG Shu-dong

    2006-01-01

    An ion mobility spectrometer equipped with a laser ionization source is used for the sensitive detection of benzene.Mobility spectra of the benzene are presented.We also discussed the mobility spectra at various concentrations and drift voltages.Detection limits are determined to be in the upper ppbv range.In the end,the advantages and possibilities of this technique are briefly discussed.

  7. Genotoxic and histotoxic effects of air pollutants at a benzene station on albino rats

    OpenAIRE

    Mohamed Abousalem; Amer Elgerwi; Abdel Baset El-Mashad

    2014-01-01

    Background: This study was designed to explore the hazardous effects of occupational exposure to air pollutants arising from benzene stations. Methods: A total of 48 albino rats were divided into three groups each of sixteen animals. Groups-I and II were kept at a benzene station for 60 and 120 days, respectively; while group-III was kept as a control under normal laboratory conditions. At the end of the experiment, animals were sacrificed and bone marrow samples were taken to investigate ...

  8. Biodegradation of mixtures of substituted benzenes by Pseudomonas sp. strain JS150.

    OpenAIRE

    Haigler, B E; Pettigrew, C A; Spain, J C

    1992-01-01

    Pseudomonas sp. strain JS150 was isolated as a nonencapsulated variant of Pseudomonas sp. strain JS1 that contains the genes for the degradative pathways of a wide range of substituted aromatic compounds. Pseudomonas sp. strain JS150 grew on phenol, ethylbenzene, toluene, benzene, naphthalene, benzoate, p-hydroxybenzoate, salicylate, chlorobenzene, and several 1,4-dihalogenated benzenes. We designed experiments to determine the conditions required for induction of the individual pathways and ...

  9. A system for the analysis of tritium content in natural waters, through benzene

    International Nuclear Information System (INIS)

    A system is described for the analysis of tritium (3H) in natural waters. The system consists of an electrolytic enrichment equipment and a vacuum line for benzene synthesis. The benzene is mixed with a scintillating solution and so used in tritium activity measurements by liquid scintillation spectrometry. The characteristcs of the system, as well as its performance, are pointed out through analysis of ground and rain waters. The precision and reproducibility of the measurements are discussed. (Author)

  10. Human risk assessment of benzene after a gasoline station fuel leak

    Directory of Open Access Journals (Sweden)

    Miriam dos Anjos Santos

    2013-06-01

    Full Text Available OBJECTIVE: To assess the health risk of exposure to benzene for a community affected by a fuel leak. METHODS: Data regarding the fuel leak accident with, which occurred in the Brasilia, Federal District, were obtained from the Fuel Distributor reports provided to the environmental authority. Information about the affected population (22 individuals was obtained from focal groups of eight individuals. Length of exposure and water benzene concentration were estimated through a groundwater flow model associated with a benzene propagation model. The risk assessment was conducted according to the Agency for Toxic Substances and Disease Registry methodology. RESULTS: A high risk perception related to the health consequences of the accident was evident in the affected community (22 individuals, probably due to the lack of assistance and a poor risk communication from government authorities and the polluting agent. The community had been exposed to unsafe levels of benzene (> 5 µg/L since December 2001, five months before they reported the leak. The mean benzene level in drinking water (72.2 µg/L was higher than that obtained by the Fuel Distributer using the Risk Based Corrective Action methodology (17.2 µg/L.The estimated benzene intake from the consumption of water and food reached a maximum of 0.0091 µg/kg bw/day (5 x 10-7 cancer risk per 106 individuals. The level of benzene in water vapor while showering reached 7.5 µg/m3 for children (1 per 104 cancer risk. Total cancer risk ranged from 110 to 200 per 106 individuals. CONCLUSIONS: The population affected by the fuel leak was exposed to benzene levels that might have represented a health risk. Local government authorities need to develop better strategies to respond rapidly to these types of accidents to protect the health of the affected population and the environment.

  11. RPBE-vdW Description of Benzene Adsorption on Au(111)

    DEFF Research Database (Denmark)

    Pedersen, Jess Wellendorff; Kelkkanen, Kari André; Mortensen, Jens Jørgen;

    2010-01-01

    der Waals interactions. The adsorption of benzene on Au(111) is an often mentioned such system where standard density functionals predict a very weak adsorption or even a repulsion, whereas a significant adsorption is observed experimentally. We show that a considerable improvement in the description...... of the adsorption of benzene on Au(111) is obtained when using the so-called RPBE-vdW functional....

  12. Molecular simulation study on Hofmeister cations and the aqueous solubility of benzene.

    Science.gov (United States)

    Ganguly, Pritam; Hajari, Timir; van der Vegt, Nico F A

    2014-05-22

    We study the ion-specific salting-out process of benzene in aqueous alkali chloride solutions using Kirkwood-Buff (KB) theory of solutions and molecular dynamics simulations with different empirical force field models for the ions and benzene. Despite inaccuracies in the force fields, the simulations indicate that the decrease of the Setchenow salting-out coefficient for the series NaCl > KCl > RbCl > CsCl is determined by direct benzene-cation correlations, with the larger cations showing weak interactions with benzene. Although ion-specific aqueous solubilities of benzene may be affected by indirect ion-ion, ion-water, and water-water correlations, too, these correlations are found to be unimportant, with little to no effect on the Setchenow salting-out coefficients of the various salts. We further considered LiCl, which is experimentally known to be a weaker salting-out agent than NaCl and KCl and, therefore, ranks at an unusual position within the Hofmeister cation series. The simulations indicate that hydrated Li(+) ions can take part of the benzene hydration shell while the other cations are repelled by it. This causes weaker Li(+) exclusion around the solute and a resulting, weaker salting-out propensity of LiCl compared to that of the other salts. Removing benzene-water and benzene-salt electrostatic interactions in the simulations does not affect this mechanism, which may therefore also explain the smaller effect of LiCl, as compared to that of NaCl or KCl, on aqueous solvation and hydrophobic interaction of nonpolar molecules. PMID:24792435

  13. (η6-Benzenedichlorido(dicyclohexylphenylphosphaneruthenium(II benzene sesquisolvate

    Directory of Open Access Journals (Sweden)

    Alfred Muller

    2012-12-01

    Full Text Available The asymmetric unit of the title compound, [RuCl2(C6H6(C18H27P]·1.5C6H6, contains one molecule of the RuII complex and one and a half solvent molecules as one of these is located about a centre of inversion. The RuII atom has a classical three-legged piano-stool environment being coordinated by an η6-benzene ligand [Ru—centroid = 1.6964 (6 Å], two chloride ligands with an average Ru—Cl bond length of 2.4138 (3 Å and a dicyclohexylphenylphosphane ligand [Ru—P = 2.3786 (3 Å]. The effective cone angle for the phosphane was calculated to be 158°. In the crystal, weak C—H...Cl hydrogen bonds link the RuII complexes into centrosymmetric dimers. The crystal packing exhibits intra- and intermolecular C—H...π interactions resulting in a zigzag pattern in the [101] direction.

  14. BENZENE FORMATION ON INTERSTELLAR ICY MANTLES CONTAINING PROPARGYL ALCOHOL

    International Nuclear Information System (INIS)

    Propargyl alcohol (CHCCH2OH) is a known stable isomer of the propenal (CH2CHCHO) molecule that was reported to be present in the interstellar medium (ISM). At astrochemical conditions in the laboratory, icy layers of propargyl alcohol grown at 85 K were irradiated by 2 keV electrons and probed by a Fourier Transform InfraRed spectrometer in the mid-infrared (IR) region, 4000-500 cm–1. Propargyl alcohol ice under astrochemical conditions was studied for the first time; therefore, IR spectra of reported amorphous (85 K) and crystalline (180 K) propargyl alcohol ices can be used to detect its presence in the ISM. Moreover, our experiments clearly show benzene (C6H6) formation to be the major product from propargyl alcohol irradiation, confirming the role of propargyl radicals (C3H3) formed from propargyl alcohol dissociation that was long expected based on theoretical modeling to effectively synthesize C6H6 in the interstellar icy mantles

  15. Vibrationally averaged dipole moments of methane and benzene isotopologues

    Science.gov (United States)

    Arapiraca, A. F. C.; Mohallem, J. R.

    2016-04-01

    DFT-B3LYP post-Born-Oppenheimer (finite-nuclear-mass-correction (FNMC)) calculations of vibrationally averaged isotopic dipole moments of methane and benzene, which compare well with experimental values, are reported. For methane, in addition to the principal vibrational contribution to the molecular asymmetry, FNMC accounts for the surprisingly large Born-Oppenheimer error of about 34% to the dipole moments. This unexpected result is explained in terms of concurrent electronic and vibrational contributions. The calculated dipole moment of C6H3D3 is about twice as large as the measured dipole moment of C6H5D. Computational progress is advanced concerning applications to larger systems and the choice of appropriate basis sets. The simpler procedure of performing vibrational averaging on the Born-Oppenheimer level and then adding the FNMC contribution evaluated at the equilibrium distance is shown to be appropriate. Also, the basis set choice is made by heuristic analysis of the physical behavior of the systems, instead of by comparison with experiments.

  16. Positronium formation and annihilation in BHDC/water/benzene microemulsions

    International Nuclear Information System (INIS)

    Positron lifetime measurements have been made on BHDC/water/benzene microemulsions, at different water to surfactant molar ratios (w0) and different surfactant concentrations (CBHDC). Recently, a model has been proposed to explain the positronium formation and annihilation in AOT/water/isooctane microemulsions, which states that the majority of positronium formation occurs in the aqueous cores of the reverse micelles, and the o-Ps there formed diffuses out of the aqueous cores into the organic solvent bulk. The BHDC based microemulsion system has been chosen in order to study the influence of the cationic head group and of the chloride counterion present in the aqueous pseudophase on the Ps formation probability and on the o-Ps diffusion out of the aqueous cores. The results of this study are satisfactorily explained by the referred model. The radii of the aqueous cores for different w0 values and calculated from the o-Ps lifetime measurements, are in good agreement with the values reported in the literature. The measured o-Ps intensities in both the aqueous pseudophase and the organic phase were found to be in agreement with those calculated by taking into account the partial inhibition due to the chloride counterions present in the aqueous cores. (orig.)

  17. BENZENE FORMATION ON INTERSTELLAR ICY MANTLES CONTAINING PROPARGYL ALCOHOL

    Energy Technology Data Exchange (ETDEWEB)

    Sivaraman, B.; Mukherjee, R.; Subramanian, K. P.; Banerjee, S. B., E-mail: bhala@prl.res.in [Space and Atmospheric Sciences Division, Physical Research Laboratory, Ahmedabad (India)

    2015-01-10

    Propargyl alcohol (CHCCH{sub 2}OH) is a known stable isomer of the propenal (CH{sub 2}CHCHO) molecule that was reported to be present in the interstellar medium (ISM). At astrochemical conditions in the laboratory, icy layers of propargyl alcohol grown at 85 K were irradiated by 2 keV electrons and probed by a Fourier Transform InfraRed spectrometer in the mid-infrared (IR) region, 4000-500 cm{sup –1}. Propargyl alcohol ice under astrochemical conditions was studied for the first time; therefore, IR spectra of reported amorphous (85 K) and crystalline (180 K) propargyl alcohol ices can be used to detect its presence in the ISM. Moreover, our experiments clearly show benzene (C{sub 6}H{sub 6}) formation to be the major product from propargyl alcohol irradiation, confirming the role of propargyl radicals (C{sub 3}H{sub 3}) formed from propargyl alcohol dissociation that was long expected based on theoretical modeling to effectively synthesize C{sub 6}H{sub 6} in the interstellar icy mantles.

  18. Multiple solutions of CCD equations for PPP model of benzene

    CERN Document Server

    Podeszwa, R; Jankowski, K; Rubiniec, K; Podeszwa, Rafa{\\l}; Stolarczyk, Leszek Z.; Jankowski, Karol; Rubiniec, Krzysztof

    2002-01-01

    To gain some insight into the structure and physical significance of the multiple solutions to the coupled-cluster doubles (CCD) equations corresponding to the Pariser-Parr-Pople (PPP) model of cyclic polyenes, complete solutions to the CCD equations for the A^{-}_{1g} states of benzene are obtained by means of the homotopy method. By varying the value of the resonance integral beta from -5.0 eV to -0.5 eV, we cover the so-called weakly, moderately, and strongly correlated regimes of the model. For each value of beta 230 CCD solutions are obtained. It turned out, however, that only for a few solutions a correspondence with some physical states can be established. It has also been demonstrated that, unlike for the standard methods of solving CCD equations, some of the multiple solutions to the CCD equations can be attained by means of the iterative process based on Pulay's direct inversion in the iterative subspace (DIIS) approach.

  19. Anaerobic degradation of alkylated benzenes in denitrifying laboratory aquifer columns

    International Nuclear Information System (INIS)

    Toluene and m-xylene were rapidly mineralized in an anaerobic laboratory aquifer column operated under continuous-flow conditions with nitrate as an electron acceptor. The oxidation of toluene and m-xylene was coupled with the reduction of nitrate, and mineralization was confirmed by trapping 14CO2 evolved from 14C-ring-labeled substrates. Substrate degradation also took place when nitrous oxide replaced nitrate as an electron acceptor, but decomposition was inhibited in the presence of molecular oxygen or after the substitution of nitrate by nitrite. The m-xylene-adapted microorganisms in the aquifer column degraded toluene, benzaldehyde, benzoate, m-toluylaldehyde, m-toluate, m-cresol, p-cresol, and p-hydroxybenzoate but were unable to metabolize benzene, naphthalene, methylcyclohexane, and 1,3-dimethylcyclohexane. Isotope-dilution experiments suggested benzoate as an intermediate formed during anaerobic toluene metabolism. The finding that the highly water-soluble nitrous oxide served as electron acceptor for the anaerobic mineralization of some aromatic hydrocarbons may offer attractive options for the in situ restoration of polluted aquifers

  20. Geogenic sources of benzene in aquifers used for public supply, California

    Science.gov (United States)

    Belitz, Kenneth; Landon, Matthew K.

    2012-01-01

    Statistical evaluation of two large statewide data sets from the California State Water Board's Groundwater Ambient Monitoring and Assessment Program (1973 wells) and the California Department of Public Health (12417 wells) reveals that benzene occurs infrequently (1.7%) and at generally low concentrations (median detected concentration of 0.024 μg/L) in groundwater used for public supply in California. When detected, benzene is more often related to geogenic (45% of detections) than anthropogenic sources (27% of detections). Similar relations are evident for the sum of 17 hydrocarbons analyzed. Benzene occurs most frequently and at the highest concentrations in old, brackish, and reducing groundwater; the detection frequency was 13.0% in groundwater with tritium 1600 μS/cm, and anoxic conditions. This groundwater is typically deep (>180 m). Benzene occurs somewhat less frequently in recent, shallow, and reducing groundwater; the detection frequency was 2.6% in groundwater with tritium ≥1 pCi/L, depth benzene include: higher concentrations and detection frequencies with increasing well depth, groundwater age, and proximity to oil and gas fields; and higher salinity and lower chloride/iodide ratios in old groundwater with detections of benzene, consistent with interactions with oil-field brines.

  1. Protective effects of zinc and selenium against benzene toxicity in rats.

    Science.gov (United States)

    Ibrahim, Khadiga S; Saleh, Zeinab A; Farrag, Abdel-Razik H; Shaban, Eman E

    2011-07-01

    The presented study investigates the protective role of zinc (Zn) and selenium (Se) in attenuating benzene-induced toxicity in rats. Male Sprague-Dawley rats were injected with benzene (0.5 mL/kg body weight ip) and received a diet supplement containing Zn and Se. Several hematological and biochemical parameters (representing antioxidant status) were estimated. Histopathological examinations were performed. Results showed that food intake and body weight gain of benzene-injected rats were significantly lower than that of the control rats. Benzene-injected rats showed increased plasma malondialdehyde (MDA) and decreased activity of: glutathione peroxidase (GSH-Px), catalase, superoxide dismutase (SOD) enzymes, as well as reduced glutathione (GSH) when compared to the control group. Histopathological investigations revealed structural changes in benzene-injected rats' liver. Supplementation with Zn and Se resulted in a significant decrease in MDA, elevation in GSH, GSH-Px, SOD and catalase levels. This study shows that Zn and Se supplementation can improve the activity of antioxidant enzymes in rats and decrease the histological anomalies induced by benzene toxicity as well. PMID:21511895

  2. Degradation of Benzene by Using a Silent-Packed Bed Hybrid Discharge Plasma Reactor

    Institute of Scientific and Technical Information of China (English)

    姜楠; 鲁娜; 李杰; 吴彦

    2012-01-01

    In this work, a novel gas phase silent-packed bed hybrid discharge plasma reactor has been proposed, and its ability to control a simulative gas stream containing 240 ppm benzene is experimentally investigated. In order to optimize the geometry of the reactor, the benzene conversion rate and energy yield (EY) were compared for various inner electrode diameters and quartz tube shapes and sizes. In addition, benzene removal efficiency in different discharge regions was qualitatively analyzed and the gas parameter (space velocity) was systematically studied. It has been found that silent-packed bed hybrid discharge plasma reactor can effectively decompose benzene. Benzene removal proved to achieve an optimum value of 60% with a characteristic energy density of 255 J/L in this paper with a 6 mm bolt high-voltage electrode and a 13 mm quartz tube. The optimal space velocity was 188.1 h^-1, which resulted in moderate energy yield and removal efficiency. Reaction by-products such as hydroquinone, heptanoic acid, 4-nitrocatechol, phenol and 4-phenoxy-phenol were identified by mean of GC-MS. In addition, based on these organic by-products, a benzene destruction pathway was proposed.

  3. Brain met-enkephalin immunostaining after subacute and subchronic exposure to benzene

    Energy Technology Data Exchange (ETDEWEB)

    Gandarias, J.M. de; Echevarria, E.; Martinez-Millan, L.; Casis, L. [Univ. of the Basque Country, Bilbao (Spain); Martinez-Garcia, F. [Univ. of Valencia (Spain)

    1994-01-01

    Benzene is used in a wide variety of domestic and occupational activities, and due to its lipophilic nature, it accumulates in lipid-rich tissues like the brain. In this sense, neurotoxic action has long been associated with organic solvent exposure and it has been shown that benzene, injected in a single dose or during a prolongued administration, modifies the content of dopamine, noradrenaline, serotonin and its main metabolite 5-hydroxy indolacetic acid, in several brain regions of the rat, then revealing a stimulating action on brain monoamine synthesis and turnover. However, information concerning neurotoxic action of benzene exposure in vivo on peptidergic neuromodulatory systems is still lacking. Nevertheless, it has been recently described that subacute benzene exposure in rats generates regional changes in brain aminopeptidase activity. These proteolytic enzymes have been widely associated with metabolic control of neuropeptides and it has been suggested that they could play a role in benzene neurotoxic mechanism by hypothetically changing regional neuropeptide levels. This being the case, we focused on analyzing met-enkephalin immunostaining in different brain regions of the rat after subacute and subchronic administration of benzene. 12 refs., 3 figs.

  4. Degradation of Benzene by Using a Silent-Packed Bed Hybrid Discharge Plasma Reactor

    Science.gov (United States)

    Jiang, Nan; Lu, Na; Li, Jie; Wu, Yan

    2012-02-01

    In this work, a novel gas phase silent-packed bed hybrid discharge plasma reactor has been proposed, and its ability to control a simulative gas stream containing 240 ppm benzene is experimentally investigated. In order to optimize the geometry of the reactor, the benzene conversion rate and energy yield (EY) were compared for various inner electrode diameters and quartz tube shapes and sizes. In addition, benzene removal efficiency in different discharge regions was qualitatively analyzed and the gas parameter (space velocity) was systematically studied. It has been found that silent-packed bed hybrid discharge plasma reactor can effectively decompose benzene. Benzene removal proved to achieve an optimum value of 60% with a characteristic energy density of 255 J/L in this paper with a 6 mm bolt high-voltage electrode and a 13 mm quartz tube. The optimal space velocity was 188.1 h-1, which resulted in moderate energy yield and removal efficiency. Reaction by-products such as hydroquinone, heptanoic acid, 4-nitrocatechol, phenol and 4-phenoxy-phenol were identified by mean of GC-MS. In addition, based on these organic by-products, a benzene destruction pathway was proposed.

  5. Pharmacological characterization and modeling of the binding sites of novel 1,3-bis(pyridinylethynyl)benzenes as metabotropic glutamate receptor 5-selective negative allosteric modulators

    DEFF Research Database (Denmark)

    Mølck, Christina; Harpsøe, Kasper; Gloriam, David E;

    2012-01-01

    Metabotropic glutamate receptor subtype 5 (mGluR5) is a potential drug target in neurological and psychiatric disorders, and subtype-selective allosteric modulators have attracted much attention as potential drug candidates. In this study, the binding sites of three novel 2-methyl-6-(phenylethynyl......)pyridine (MPEP)-derived negative allosteric modulators, 2-, 3-, and 4-BisPEB, have been characterized. 2-, 3-, and 4-BisPEB are 1,3-bis(pyridinylethynyl)-benzenes and differ only by the position of the nitrogen atoms in the pyridine rings. Despite their high structural similarity, 2-BisPEB [1,3-bis(pyridin-2...

  6. Survey results of benzene in soft drinks and other beverages by headspace gas chromatography/mass spectrometry.

    Science.gov (United States)

    Nyman, Patricia J; Diachenko, Gregory W; Perfetti, Gracia A; McNeal, Timothy P; Hiatt, Michael H; Morehouse, Kim M

    2008-01-23

    Benzene, a carcinogen that can cause cancer in humans, may form at nanogram per gram levels in some beverages containing both benzoate salts and ascorbic or erythorbic acids. Through a series of reactions, a hydroxyl radical forms that can decarboxylate benzoate to form benzene. Elevated temperatures and light stimulate these reactions, while sugar and ethylenediaminetetraacetic acid (EDTA) can inhibit them. A headspace gas chromatography/mass spectrometry method for the determination of benzene in beverages was developed and validated. The method was used to conduct a survey of 199 soft drinks and other beverages. The vast majority of beverages sampled contained either no detectable benzene or levels below the U.S. Environmental Protection Agency's drinking water limit of 5 ng/g. Beverages found to contain 5 ng/g benzene or more were reformulated by the manufacturers. The amount of benzene found in the reformulated beverages ranged from none detected to 1.1 ng/g. PMID:18072742

  7. Biodegradation of methane, benzene, and toluene by a consortium MBT14 enriched from a landfill cover soil.

    Science.gov (United States)

    Lee, Eun-Hee; Park, Hyunjung; Cho, Kyung-Suk

    2013-01-01

    In this study, landfill cover soil was used as an inoculum source to enrich a methane, benzene, and toluene-degrading consortium MBT14. Under a single substrate, the maximum degradation rates of methane, benzene and toluene were 1.96, 0.15, and 0.77 mmole g-DCW(-1) h(-1), respectively. Although the coexistence of benzene and toluene inhibited the methane degradation rates, the consortium was able to simultaneously degrade methane, benzene and toluene. Methane had an insignificant effect on benzene or toluene degradation. Based on 16S rDNA sequencing analysis, Cupriavidus spp. are dominant in the consortium MBT14. The combined results of this study indicate that the consortium MBT 14 is a promising bioresource for removing CH(4), benzene, and toluene from a variety of environments. PMID:23245302

  8. Propensities in the solvation of M+–Benzene systems (M = Na, K, Rb) investigated by cluster dynamics

    International Nuclear Information System (INIS)

    Highlights: ► A semiempirical interaction potential is used to model intermolecular interactions. ► The model is based on the decomposition of the molecular polarizability. ► The model uses an improved Lennard Jones function. ► The solvation characteristics depend on the size of the cation. - Abstract: The study of size-specific interactions of alkali ions (M+) with aromatic compounds is crucial to understand the mechanisms governing the selectivity in protein channels. In particular, the investigation of the aqueous solvent effect on M+–π systems is of fundamental importance. The related processes are typically governed by several intermolecular interaction contributions as hydrogen bonds, dispersion, induction and electrostatics, which are often weak and difficult to evaluate in detail. In the present paper, the behavior of the M+–Benzene (M = Na, K, Rb, Benzene = Bz) aggregates surrounded by water molecules is analyzed performing molecular dynamics (MD) simulations. As the accuracy of such simulations depends on the reliability of the used intermolecular potential energy formulation we adopt a potential model based on a combination of electrostatic and non electrostatic components, whose reliability has been previously tested on some prototype systems by comparing predictions of the model with both accurate ab initio calculations and/or high level experimental data, has been used. The non electrostatic component has been described as sum of improved Lennard Jones (ILJ) functions, whose parameters have been derived from polarizabilities of atoms, groups of atoms and/or molecules. The electrostatic contribution has been calculated as a sum of Coulombic potentials arising from the interaction between permanent ion charge and/or permanent molecular charge distributions, which, at long range, for M+–Bz, H2O–Bz and M+–H2O reproduces the ion-quadrupole, dipole-quadrupole and the ion-dipole interactions, respectively. Energetics and structure of the

  9. Canada-wide standard for benzene phase 1 : Progress report 2001

    International Nuclear Information System (INIS)

    In June 2000, the Canadian Council of Ministers of the Environment (CCME) ratified the Canada-Wide Standard (CWS) for Benzene Phase 1. Benzene is classified as a carcinogen to humans and any level of exposure is generally considered to carry some probability of harmful effects. The Ministers committed to reducing national benzene emissions by 30 per cent between 1995 and 2000. This report presents the progress thus far and describes how the Alberta Government has focused on effecting emission reductions in the natural gas sector, dehydrators, petroleum refineries and in chemical manufacturing plants. Their initiatives led to a 66 per cent decrease in benzene emissions by 1999. In addition, overall emissions in the province were reduced by 50 per cent from industry and mobile sources. The measures initiated during Phase 1 will continue beyond the time frame, and Phase 2, not yet ratified, will call for a follow-through on those measures. Phase 2 recognizes best management practices and jurisdictional regulations that will minimize emissions. Specifically, Phase 2 calls for an additional reduction of 6 kilotonnes in benzene emissions for existing facilities by the end of 2010. The minimization of benzene emissions through the application of best available pollution prevention and control techniques is contained for new and expanding facilities. The implementation of the CWS comprises the follow-up of existing initiatives resulting from the application of Phase 1 and the promotion and application of best management practices for new and expanding facilities, the determination and tracking of ancillary emission reductions of benzene realized as a result of other CWS initiatives, and the monitoring and reporting of progress. 13 refs., 4 tabs., 3 figs

  10. Separation of several alcohol-benzene mixtures by pervaporation through styrene graft polyethylene membranes

    International Nuclear Information System (INIS)

    The permeation of pure liquids, such as methanol, ethanol, 1-propanol, 2-propanol and benzene, and the permeability and selectivity of 50 vol% binary mixtures of these alcohols and benzene were investigated by pervaporation technique. The used membranes (21%, 40%, and 72% graftings) were obtained by graft polymerization of styrene to polyethylene film (thickness 10 μm) by γ-radiation. The permeation rates of each of these alcohols and benzene were measured by pervaporation through the graft membranes. Those of these alcohols were very small as well as those through the original membrane. On the other hand, the permeabilities for benzene through the graft membranes were larger than that through the original membrane. The temperature dependence of the permeation rate for benzene was expressed by Arrhenius-type relationships, and the apparent activation energies were calculated to be 10.7 (21%), 10.2 (40%) and 10.0 (72%) kcal/mol. In the permeation of 50 vol% several alcohol-benzene mixtures, the permeabilities through the graft membranes were also larger than that through the original membrane, and increased with the grafting. The temperature dependence of the permeation for these mixtures was showed by Arrhenius relationships, and the apparent activation energies were calculated to be in the range of 8.4∼11.0 kcal/mol. The separation factors of the graft membranes calculated from composition of the permeates were always smaller than that of the original membrane, but became larger with increase of molecular volume of alcohol in alcohol-benzene mixtures. (author)

  11. Metabolites of benzene are potent inhibitors of gap-junction intercellular communication

    Energy Technology Data Exchange (ETDEWEB)

    Rivedal, Edgar [Norwegian Radium Hospital, Institute for Cancer Research, Montebello, Oslo (Norway); Witz, Gisela [Robert Wood Johnson Medical School/UMDNJ, Environmental and Occupational Health Sciences Institute and Department of Environmental and Occupational Medicine, Piscataway, New Jersey (United States)

    2005-06-01

    Chronic exposure to benzene has been shown to lead to bone marrow depression and the development of leukemia. The mechanism underlying the carcinogenicity of benzene is unknown, although a number of genetic changes including chromosomal aberrations have been associated with benzene toxicity. Metabolism of benzene is required for the induced toxicological effects. We have investigated the effect of trans,trans-muconaldehyde (MUC), hydroquinone (HQ), and four MUC metabolites on gap-junction intercellular communication (GJIC). Inhibition of GJIC has been considered a possible predictor of tumor promoters and non-genotoxic carcinogens, and shown to result in perturbation of hematopoiesis. MUC was found to be a strong inhibitor of GJIC (EC50=12 {mu}mol L{sup -1}) in rat liver epithelial cells IAR20, with potency similar to that of chlordane (EC50=7 {mu}mol L{sup -1}). HQ inhibited GJIC with an EC50 of 25 {mu}mol L{sup -1}, and the metabolite OH/CHO with an EC50 of 58 {mu}mol L{sup -1}. The other MUC metabolites tested, CHO/COOH and OH/COOH were weak inhibitors of GJIC whereas COOH/COOH had no effect. Benzene itself had no effect on GJIC when tested in concentrations up to 20 mmol L{sup -1}. The relative potency observed for the metabolites on GJIC is similar to their hematotoxic effects. The effect of MUC on GJIC was observed to take place concordant with a dramatic loss of connexin 43 (Cx43) from the cells as visualized by Western blotting. Substances with the ability to inhibit Cx43-dependent GJIC have previously been observed to interfere with normal hematopoietic development. The ability of benzene metabolites to interfere with gap-junction functionality, and especially the dramatic loss of Cx43 induced by MUC, should therefore be considered as a possible mechanism for benzene-induced hematotoxicity and development of leukemia. (orig.)

  12. Characterization of changes in gene expression and biochemical pathways at low levels of benzene exposure.

    Directory of Open Access Journals (Sweden)

    Reuben Thomas

    Full Text Available Benzene, a ubiquitous environmental pollutant, causes acute myeloid leukemia (AML. Recently, through transcriptome profiling of peripheral blood mononuclear cells (PBMC, we reported dose-dependent effects of benzene exposure on gene expression and biochemical pathways in 83 workers exposed across four airborne concentration ranges (from 10 ppm compared with 42 subjects with non-workplace ambient exposure levels. Here, we further characterize these dose-dependent effects with continuous benzene exposure in all 125 study subjects. We estimated air benzene exposure levels in the 42 environmentally-exposed subjects from their unmetabolized urinary benzene levels. We used a novel non-parametric, data-adaptive model selection method to estimate the change with dose in the expression of each gene. We describe non-parametric approaches to model pathway responses and used these to estimate the dose responses of the AML pathway and 4 other pathways of interest. The response patterns of majority of genes as captured by mean estimates of the first and second principal components of the dose-response for the five pathways and the profiles of 6 AML pathway response-representative genes (identified by clustering exhibited similar apparent supra-linear responses. Responses at or below 0.1 ppm benzene were observed for altered expression of AML pathway genes and CYP2E1. Together, these data show that benzene alters disease-relevant pathways and genes in a dose-dependent manner, with effects apparent at doses as low as 100 ppb in air. Studies with extensive exposure assessment of subjects exposed in the low-dose range between 10 ppb and 1 ppm are needed to confirm these findings.

  13. Bioremediation of benzene-, MTBE- and ammonia-contaminated groundwater with pilot-scale constructed wetlands

    International Nuclear Information System (INIS)

    In this pilot-scale constructed wetland (CW) study for treating groundwater contaminated with benzene, MTBE, and ammonia-N, the performance of two types of CWs (a wetland with gravel matrix and a plant root mat) was investigated. Hypothesized stimulative effects of filter material additives (charcoal, iron(III)) on pollutant removal were also tested. Increased contaminant loss was found during summer; the best treatment performance was achieved by the plant root mat. Concentration decrease in the planted gravel filter/plant root mat, respectively, amounted to 81/99% for benzene, 17/82% for MTBE, and 54/41% for ammonia-N at calculated inflow loads of 525/603 mg/m2/d, 97/112 mg/m2/d, and 1167/1342 mg/m2/d for benzene, MTBE, and ammonia-N. Filter additives did not improve contaminant depletion, although sorption processes were observed and elevated iron(II) formation indicated iron reduction. Bacterial and stable isotope analysis provided evidence for microbial benzene degradation in the CW, emphasizing the promising potential of this treatment technique. - Highlights: → BTEX compounds contaminated groundwater can be efficiently treated by CWs. → The removal efficiency depended on CW type, season and contaminant. → The plant root mat revealed better treatment results than the gravel filter CW. → Best results achieved by the plant root mat (99% benzene concentration decrease). → Stable isotope analysis and MPN indicated high benzene remediation potential. - Gravel bed constructed wetlands and a plant root mat system efficiently eliminated fuel hydrocarbons (benzene, MTBE) and ammonia-N from groundwater at a pilot-scale.

  14. Effect of benzene on product evolution in a H2S/O2 flame under Claus condition

    International Nuclear Information System (INIS)

    Highlights: • Effect of trace amounts of benzene (0.3%, 0.5% and 1%) to H2S combustion process. • Benzene favored formation of H2 and reduced conversion of H2S. • Benzene reduced SO2 formation to impact sulfur production. • Benzene addition promoted CO and COS formation and degraded sulfur quality. - Abstract: Experimental results are presented on the role of benzene addition to H2S combustion at an equivalence ratio of three with respect to H2S (Claus condition) and complete combustion of benzene. The results are reported with 0.3%, 0.5% and 1% benzene addition to H2S/O2 flame. Combustion of H2S and benzene mixtures is of practical value for sulfur recovery during combustion of acid gases. The results showed that H2S combustion caused H2S to decompose to a minimum mole fraction with high conversion of H2S while the SO2 mole fraction reached a maximum value. Addition of benzene decreased the conversion of H2S with reduced mole fraction of SO2 in the reactor to subsequently reduce the formation of elemental sulfur. Benzene also caused significant production of H2, CO and COS formation along with faster decomposition of the formed SO2. Presence of benzene, even in trace amounts, in acid gas hinders sulfur conversion in a Claus reactor and increases emission of unwanted sulfur bearing compounds. Increased hydrogen production with benzene offers potential value for hydrogen recovery under certain conditions

  15. Evaluation of Trans, Trans-Muconic Acid in Urine of Exposed Workers to Benzene in a Cokery Plant

    OpenAIRE

    M. Rahiminejad; S.Gh. Mirsattari; A. Bahrami; B. Akbari

    2006-01-01

    Introduction & Objective: Benzene is a light yellow liquid with aromatic odor and has effects to human body. The main and dangerous health effect of chronic exposure to benzene in workplace is hematopoetic system disease or blood cancer that it's primarily clinical figures are anemia, leucopenia, thrombocytopenia. The objective of this study was evaluation of benzene exposure by analysis of urinary trans, trans-muconic acid (t,t-ma) in post shift of workers.Materials & Methods: A case-contro...

  16. Characterization, Quantification and Compound-specific Isotopic Analysis of Pyrogenic Carbon Using Benzene Polycarboxylic Acids (BPCA).

    Science.gov (United States)

    Wiedemeier, Daniel B; Lang, Susan Q; Gierga, Merle; Abiven, Samuel; Bernasconi, Stefano M; Früh-Green, Gretchen L; Hajdas, Irka; Hanke, Ulrich M; Hilf, Michael D; McIntyre, Cameron P; Scheider, Maximilian P W; Smittenberg, Rienk H; Wacker, Lukas; Wiesenberg, Guido L B; Schmidt, Michael W I

    2016-01-01

    Fire-derived, pyrogenic carbon (PyC), sometimes called black carbon (BC), is the carbonaceous solid residue of biomass and fossil fuel combustion, such as char and soot. PyC is ubiquitous in the environment due to its long persistence, and its abundance might even increase with the projected increase in global wildfire activity and the continued burning of fossil fuel. PyC is also increasingly produced from the industrial pyrolysis of organic wastes, which yields charred soil amendments (biochar). Moreover, the emergence of nanotechnology may also result in the release of PyC-like compounds to the environment. It is thus a high priority to reliably detect, characterize and quantify these charred materials in order to investigate their environmental properties and to understand their role in the carbon cycle. Here, we present the benzene polycarboxylic acid (BPCA) method, which allows the simultaneous assessment of PyC's characteristics, quantity and isotopic composition ((13)C and (14)C) on a molecular level. The method is applicable to a very wide range of environmental sample materials and detects PyC over a broad range of the combustion continuum, i.e., it is sensitive to slightly charred biomass as well as high temperature chars and soot. The BPCA protocol presented here is simple to employ, highly reproducible, as well as easily extendable and modifiable to specific requirements. It thus provides a versatile tool for the investigation of PyC in various disciplines, ranging from archeology and environmental forensics to biochar and carbon cycling research. PMID:27214064

  17. Characterization, Quantification and Compound-specific Isotopic Analysis of Pyrogenic Carbon Using Benzene Polycarboxylic Acids (BPCA)

    Science.gov (United States)

    Wiedemeier, Daniel B.; Lang, Susan Q.; Gierga, Merle; Abiven, Samuel; Bernasconi, Stefano M.; Früh-Green, Gretchen L.; Hajdas, Irka; Hanke, Ulrich M.; Hilf, Michael D.; McIntyre, Cameron P.; Scheider, Maximilian P. W.; Smittenberg, Rienk H.; Wacker, Lukas; Wiesenberg, Guido L. B.; Schmidt, Michael W. I.

    2016-01-01

    Fire-derived, pyrogenic carbon (PyC), sometimes called black carbon (BC), is the carbonaceous solid residue of biomass and fossil fuel combustion, such as char and soot. PyC is ubiquitous in the environment due to its long persistence, and its abundance might even increase with the projected increase in global wildfire activity and the continued burning of fossil fuel. PyC is also increasingly produced from the industrial pyrolysis of organic wastes, which yields charred soil amendments (biochar). Moreover, the emergence of nanotechnology may also result in the release of PyC-like compounds to the environment. It is thus a high priority to reliably detect, characterize and quantify these charred materials in order to investigate their environmental properties and to understand their role in the carbon cycle. Here, we present the benzene polycarboxylic acid (BPCA) method, which allows the simultaneous assessment of PyC's characteristics, quantity and isotopic composition (13C and 14C) on a molecular level. The method is applicable to a very wide range of environmental sample materials and detects PyC over a broad range of the combustion continuum, i.e., it is sensitive to slightly charred biomass as well as high temperature chars and soot. The BPCA protocol presented here is simple to employ, highly reproducible, as well as easily extendable and modifiable to specific requirements. It thus provides a versatile tool for the investigation of PyC in various disciplines, ranging from archeology and environmental forensics to biochar and carbon cycling research. PMID:27214064

  18. The effect of dose, dose rate, route of administration, and species on tissue and blood levels of benzene metabolites.

    OpenAIRE

    Henderson, R F; Sabourin, P J; Bechtold, W E; Griffith, W. C.; Medinsky, M A; Birnbaum, L S; Lucier, G W

    1989-01-01

    Studies were completed in F344/N rats and B6C3F1 mice to determine the effect of dose, dose rate, route of administration, and rodent species on formation of total and individual benzene metabolites. Oral doses of 50 mg/kg or higher saturated the capacity for benzene metabolism in both rats and mice, resulting in an increased proportion of the administered dose being exhaled as benzene. The saturating air concentration for benzene metabolism during 6-hr exposures was between 130 and 900 ppm. ...

  19. Isolated benzene and dichlorobenzene on the Ge(1 0 0)-c(4 × 2) surface

    International Nuclear Information System (INIS)

    Adsorption of isolated benzene and dichlorobenzene molecules on the Ge(1 0 0) surface is studied based on total energy and electronic structure density functional theory calculations. It is found that the most stable configuration for benzene on Ge(1 0 0) is the symmetric on-top single dimer bonding structure, with the asymmetric tight bridge configuration being the second lowest energy geometry. This is in contrast to benzene on Si(1 0 0) where the asymmetric tight bridge structure is the most stable structure. For dichlorobenzene on Ge(1 0 0) it is found that the on-top single dimer bonding structure is the most stable. We also show that while the stability of the adsorbed dichlorobenzene is significantly enhanced with respect to the adsorbed benzene on Ge(1 0 0), presumably due to the presence of the chlorine atoms, its electronic structure is similar to that in the gas phase. The latter was found to be similar to the weakly interacting benzene molecule with Ge(1 0 0).

  20. THE INFLUENCE OF BENZENE AS A TRACE REACTANT IN TITAN AEROSOL ANALOGS

    International Nuclear Information System (INIS)

    Benzene has been detected in Titan's atmosphere by Cassini instruments, with concentrations ranging from sub-ppb in the stratosphere to ppm in the ionosphere. Sustained levels of benzene in the haze formation region could signify that it is an important reactant in the formation of Titan's organic aerosol. To date, there have not been laboratory investigations to assess the influence of benzene on aerosol properties. We report a laboratory study on the chemical composition of organic aerosol formed from C6H6/CH4/N2 via far ultraviolet irradiation (120-200 nm). The compositional results are compared to those from aerosol generated by a more ''traditional Titan'' mixture of CH4/N2. Our results show that even a trace amount of C6H6 (10 ppm) has significant impact on the chemical composition and production rates of organic aerosol. There are several pathways by which photolyzed benzene may react to form larger molecules, both with and without the presence of CH4, but many of these reaction mechanisms are only beginning to be explored for the conditions at Titan. Continued work investigating the influence of benzene in aerosol growth will advance understanding of this previously unstudied reaction system.

  1. Theoretical investigation on the interaction between beryllium, magnesium and calcium with benzene, coronene, cirumcoronene and graphene

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • The binding energies between benzene and Be, Mg and Ca are 1.8, 2.3 and 3.2 kcal/mol. • The alkaline earth complexes with benzene favor the non ionic configuration. • For these complexes charge transfer does not take place. • The performance of the DFT functionals assayed was poor. - Abstract: The interaction energies (IE) between benzene and beryllium, magnesium and calcium were calculated at the CCSD(T)/CBS level and including corrections for core-valence and relativistic effects. The IE are 1.8, 2.3 and 3.2 kcal/mol for Be, Mg and Ca, respectively, In contrast with our previous findings for the benzene–Li complex, we found that the non-ionic structure is more stable than the ionic configuration. Thus, charge-transfer from alkaline earths to benzene would not take place. The performance of MP2 and DFT functionals is poor. At the complete basis set limit, M06-2X, M06-L, B97D and MP2 exhibited similar MAD (∼ 0.7–0.8 kcal/mol). When larger aromatic models were considered, the IE were similar to those computed for benzene. Finally, taking into account the drawbacks of the DFT functionals, the computed IE for the non-ionic adsorption of Be, Mg and Ca onto graphene, are tentatively estimated as 2.1, 2.7 and 2.9 kcal/mol, respectively

  2. Au/ZnO nanocomposites: Facile fabrication and enhanced photocatalytic activity for degradation of benzene

    International Nuclear Information System (INIS)

    Au nanoparticles supported on highly uniform one-dimensional ZnO nanowires (Au/ZnO hybrids) have been successfully fabricated through a simple wet chemical method, which were first used for photodegradation of gas-phase benzene. Compared with bare ZnO nanowires, the as-prepared Au/ZnO hybrids were found to possess higher photocatalytic activity for degradation of benzene under UV and visible light (degradation efficiencies reach about 56.0% and 33.7% after 24 h under UV and visible light irradiation, respectively). Depending on excitation happening on ZnO semiconductor or on the surface plasmon band of Au, the efficiency and operating mechanism are different. Under UV light irradiation, Au nanoparticles serve as an electron buffer and ZnO nanowires act as the reactive sites for benzene degradation. When visible light is used as the light irradiation source, Au nanoparticles act as the light harvesters and photocatalytic sites alongside of charge-transfer process, simultaneously. -- Graphical abstract: Under visible light irradiation, Au nanoparticles, which are supported on ZnO nanowires, dominate their catalytic properties in gas-phase degradation benzene reaction. Highlights: ► The composites that Au nanoparticles supported on ZnO nanowires were synthesized. ► Au/ZnO composites were firstly used as effective photocatalysts for benzene degradation. ► Two operating mechanisms were proposed depending on excitation wavelength.

  3. Hydrogen-terminated silicon nanowire photocatalysis: Benzene oxidation and methyl red decomposition

    International Nuclear Information System (INIS)

    Graphical abstract: H-SiNWs can catalyze hydroxylation of benzene and degradation of methyl red under visible light irradiation. Highlights: ► Hydrogen-terminated silicon nanowires were active photocatalyst in the hydroxylation of benzene under light. ► Hydrogen-terminated silicon nanowires were also effective in the decomposition of methyl red dye. ► The Si/SiOx core-shell structure is the main reason of the obtained high selectivity during the hydroxylation. -- Abstract: Hydrogen-terminated silicon nanowires (H-SiNWs) were used as heterogeneous photocatalysts for the hydroxylation of benzene and for the decomposition of methyl red under visible light irradiation. The above reactions were monitored by GC–MS and UV–Vis spectrophotometry, respectively, which shows 100% selectivity for the transformation of benzene to phenol. A complete decomposition of a 2 × 10−4 M methyl red solution was achieved within 30 min. The high selectivity for the hydroxylation of benzene and the photodecomposition demonstrate the catalytic activity of ultrafine H-SiNWs during nanocatalysis.

  4. Au/ZnO nanocomposites: Facile fabrication and enhanced photocatalytic activity for degradation of benzene

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Hang; Ming, Hai; Zhang, Hengchao; Li, Haitao; Pan, Keming [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China); Liu, Yang, E-mail: yangl@suda.edu.cn [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China); Wang, Fang; Gong, Jingjing [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China); Kang, Zhenhui, E-mail: zhkang@suda.edu.cn [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China)

    2012-11-15

    Au nanoparticles supported on highly uniform one-dimensional ZnO nanowires (Au/ZnO hybrids) have been successfully fabricated through a simple wet chemical method, which were first used for photodegradation of gas-phase benzene. Compared with bare ZnO nanowires, the as-prepared Au/ZnO hybrids were found to possess higher photocatalytic activity for degradation of benzene under UV and visible light (degradation efficiencies reach about 56.0% and 33.7% after 24 h under UV and visible light irradiation, respectively). Depending on excitation happening on ZnO semiconductor or on the surface plasmon band of Au, the efficiency and operating mechanism are different. Under UV light irradiation, Au nanoparticles serve as an electron buffer and ZnO nanowires act as the reactive sites for benzene degradation. When visible light is used as the light irradiation source, Au nanoparticles act as the light harvesters and photocatalytic sites alongside of charge-transfer process, simultaneously. -- Graphical abstract: Under visible light irradiation, Au nanoparticles, which are supported on ZnO nanowires, dominate their catalytic properties in gas-phase degradation benzene reaction. Highlights: Black-Right-Pointing-Pointer The composites that Au nanoparticles supported on ZnO nanowires were synthesized. Black-Right-Pointing-Pointer Au/ZnO composites were firstly used as effective photocatalysts for benzene degradation. Black-Right-Pointing-Pointer Two operating mechanisms were proposed depending on excitation wavelength.

  5. Incense, sparklers and cigarettes are significant contributors to indoor benzene and particle levels

    Directory of Open Access Journals (Sweden)

    Werner Tirler

    2015-03-01

    Full Text Available Introduction. The increased use of incense, magic candles and other flameless products often produces indoor pollutants that may represent a health risk for humans. Today, in fact, incense and air fresheners are used inside homes as well as in public places including stores, shopping malls and places of worship. As a source of indoor contamination, the impact of smoke, incense and sparklers on human health cannot be ignored. Aim. In the present work, we report the results of an emission study regarding particles (PM10 and particle number concentration, PNC and benzene, produced by various incense sticks and sparklers. Results and discussion.The results obtained for benzene, PM10 and PNC, showed a strong negative influence on air quality when these products were used indoors. Various incense sticks gave completely different benzene results: from a small increase of the benzene concentration in the air, just slightly above the background levels of ambient air, to very high concentrations, of more than 200 µg/m³ of benzene in the test room after the incense sticks had been tested.

  6. A co-crystal between benzene and ethane: a potential evaporite material for Saturn's moon Titan

    Directory of Open Access Journals (Sweden)

    Helen E. Maynard-Casely

    2016-05-01

    Full Text Available Using synchrotron X-ray powder diffraction, the structure of a co-crystal between benzene and ethane formed in situ at cryogenic conditions has been determined, and validated using dispersion-corrected density functional theory calculations. The structure comprises a lattice of benzene molecules hosting ethane molecules within channels. Similarity between the intermolecular interactions found in the co-crystal and in pure benzene indicate that the C—H...π network of benzene is maintained in the co-crystal, however, this expands to accommodate the guest ethane molecules. The co-crystal has a 3:1 benzene:ethane stoichiometry and is described in the space group R\\bar 3 with a = 15.977 (1 Å and c = 5.581 (1 Å at 90 K, with a density of 1.067 g cm−3. The conditions under which this co-crystal forms identify it is a potential that forms from evaporation of Saturn's moon Titan's lakes, an evaporite material.

  7. Gaseous phase benzene decomposition by non-thermal plasma coupled with nano titania catalyst

    International Nuclear Information System (INIS)

    Synergistic effect of atmospheric non-thermal plasma generated by dielectric barrier discharge and nano titania photo catalyst for benzene decomposition was tested. The paper indicated the effect of photo catalyst on removal efficiency of benzene, the compare of photo catalyst characteristic in different high temperatures by heat treatment, analysis of by-products. The results showed that the effect of degradation was visible by added photo catalyst in the plasma reactor. When concentration of benzene was 600 mg/m3 and electric field strength was 10 kV/cm, the removal efficiency of benzene was increased up to 81 % without photo catalyst. At the same condition, the removal efficiency was increased to 15 % higher with photo catalyst. Nano titania crystal was anatase crystal in 450 degC heat treatment which is best for benzene removal. The plasma reactor packed with photo catalyst shows a better selectivity of carbon dioxide than that without photo catalyst. By-products are mostly carbon dioxide, water and a small quantity of carbon monoxide

  8. THE INFLUENCE OF BENZENE AS A TRACE REACTANT IN TITAN AEROSOL ANALOGS

    Energy Technology Data Exchange (ETDEWEB)

    Trainer, Melissa G. [Planetary Environments Laboratory, Code 699, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Sebree, Joshua A. [NASA Postdoctoral Program Fellow, Code 699, Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Heidi Yoon, Y.; Tolbert, Margaret A., E-mail: melissa.trainer@nasa.gov [Cooperative Institute for Research in Environmental Sciences, University of Colorado at Boulder, Box 216 UCB, Boulder, CO 80309 (United States)

    2013-03-20

    Benzene has been detected in Titan's atmosphere by Cassini instruments, with concentrations ranging from sub-ppb in the stratosphere to ppm in the ionosphere. Sustained levels of benzene in the haze formation region could signify that it is an important reactant in the formation of Titan's organic aerosol. To date, there have not been laboratory investigations to assess the influence of benzene on aerosol properties. We report a laboratory study on the chemical composition of organic aerosol formed from C{sub 6}H{sub 6}/CH{sub 4}/N{sub 2} via far ultraviolet irradiation (120-200 nm). The compositional results are compared to those from aerosol generated by a more ''traditional Titan'' mixture of CH{sub 4}/N{sub 2}. Our results show that even a trace amount of C{sub 6}H{sub 6} (10 ppm) has significant impact on the chemical composition and production rates of organic aerosol. There are several pathways by which photolyzed benzene may react to form larger molecules, both with and without the presence of CH{sub 4}, but many of these reaction mechanisms are only beginning to be explored for the conditions at Titan. Continued work investigating the influence of benzene in aerosol growth will advance understanding of this previously unstudied reaction system.

  9. Benzene-induced genotoxicity in mice in vivo detected by the alkaline comet assay

    DEFF Research Database (Denmark)

    Tuo, J; Loft, S; Thomsen, M S;

    1996-01-01

    The myelotoxic and genotoxic effects of benzene have been related to oxidative DNA damage after metabolism by CYP2E1. Single cell gel electrophoresis (alkaline comet assay) detects DNA damage and may thus be a convenient method for the study of benzene genotoxicity. Benzene exposure to NMRI mice as...... a single oral gavage at 40, 200 or 450 mg/kg resulted in dose-related DNA damage indicated by an increased comet tail length of peripheral blood lymphocytes and bone marrow nucleated cells sampled 6 h after exposure. After a dose of 40 mg/kg, there was a 1.6-fold increase of 'tail length' in bone...... types (p < 0.01). By comparing our data with those from genotoxicity studies on benzene using other methods, we conclude that the 'alkaline comet assay' is a sensitive method to detect DNA damage induced by benzene. We also infer that CYP2E1 contributes, at least partly, to the formation of the 'comet...

  10. Detection of Sperm DNA Damage in Workers Exposed to Benzene by Modified Single Cell Gel Electrophoresis

    Institute of Scientific and Technical Information of China (English)

    Bo SONG; Zhi-ming CAI; Xin LI; Li-xia DENG; Qiao ZHANG; Lu-kang ZHENG

    2005-01-01

    Objective To assess the effect of benzene on sperm DNA damageMethods Twenty-seven benzene-exposed workers were selected as exposed groupand 35 normal sperm donors as control group. Air concentration of benzene series inworkshop was determined by gas chromatography. As an internal exposure dose ofbenzene, the concentration of trans, trans-muconic acid (ttMA) was determined byhigh performance liquid chromatography. DNA was detected by modified single cellgel electrophoresis (SCGE).Results The air concentrations of benzene, toluene and xylene at the workplace were86.49 ± 2.83 mg/m3, 97.20 ±3.52 mg/m3 and 97.45 ±2.10 mg/m3, respectively.Urinary ttMA in exposed group (1.040 ± 0.617 mg/L) was significantly higher thanthat of control group (0.819 ± 0.157 mg/L). The percentage of head DNA, determinedby modified SCGE method, significantly decreased in the exposed group (n=13, 70.18%± 7.36%) compared with the control (n=16, 90.62% ± 2.94%)(P<0.001).Conclusion The modified SCGE method can be used to investigate the damage ofsperm DNA. As genotoxin and reprotoxins, benzene had direct effect on the germ cellsduring the spermatogenesiss.

  11. A co-crystal between benzene and ethane: a potential evaporite material for Saturn's moon Titan.

    Science.gov (United States)

    Maynard-Casely, Helen E; Hodyss, Robert; Cable, Morgan L; Vu, Tuan Hoang; Rahm, Martin

    2016-05-01

    Using synchrotron X-ray powder diffraction, the structure of a co-crystal between benzene and ethane formed in situ at cryogenic conditions has been determined, and validated using dispersion-corrected density functional theory calculations. The structure comprises a lattice of benzene molecules hosting ethane molecules within channels. Similarity between the intermolecular interactions found in the co-crystal and in pure benzene indicate that the C-H⋯π network of benzene is maintained in the co-crystal, however, this expands to accommodate the guest ethane molecules. The co-crystal has a 3:1 benzene:ethane stoichiometry and is described in the space group [Formula: see text] with a = 15.977 (1) Å and c = 5.581 (1) Å at 90 K, with a density of 1.067 g cm(-3). The conditions under which this co-crystal forms identify it is a potential that forms from evaporation of Saturn's moon Titan's lakes, an evaporite material. PMID:27158505

  12. Electrochemical radiofluorination. Labeling of benzene with [18F]fluoride by nucleophilic substitution

    International Nuclear Information System (INIS)

    18F-labeling of aromatic compounds normally is achieved by electrophilic substitution. In that case [18F]fluoride cannot be applied although it is produced very efficiently at medical cyclotrons. By the use of electrochemical methods, however, benzene can be oxidized and thus, the electron density is reduced in a way that nucleophilic attack of [18F]fluoride occurs. For the first time benzene was shown to be labeled with [18F]fluoride after being electrochemically oxidized in a 2 ml electrolysis cell with 0.033M Et3N x 3HF and 0.066M Et3N x HCl in CH3CN and benzene in various concentrations. After 50 Coulombs (60-90 min) maximum of labeling was reached. With the highest concentration of aromatic compound (1.0M) the radiochemical yields were 16±9% with specific activities up to 27 GBq/mmol. (author)

  13. Genetic effects of benzene and radiation in ICR and X/Gf mice

    International Nuclear Information System (INIS)

    X/Gf mice (a tumor-resistant strain) were compared with ICR mice (moderately tumor-sensitive) for their sensitivity to chromosomal damage caused by benzene, cyclophosphamide (CP), benzo(a)pyrene (BP) and radiation. There was no difference between strains in the level of micronucleus formation caused by BP, CP or radiation. Although X/Gf mice metabolized somewhat less of the dose of benzene per weight than ICR mice, and had somewhat higher levels of genetic damage, it is not known whether X/Gf mice would be measurably more resistant to benzene carcinogenicity. Short-term genotoxicity tests are used as indicators of initiation, therefore, equal sensitivity to a set of standard clastogens suggests that tumor resistance in X/Gf mice is a function of later stages of carcinogenesis. (author)

  14. OH-initiated oxidation of benzene - Part II. Influence of elevated NOx concentrations

    DEFF Research Database (Denmark)

    Klotz, B; Volkamer, R; Hurley, MD;

    2002-01-01

    The present work represents a continuation of part I of this series of papers, in which we investigated the phenol yields in the OH-initiated oxidation of benzene under conditions of low to moderate concentrations of NOx, to elevated NOx levels. The products of the OH-initiated oxidation of benzene...... in 700 760 Torr of N-2/O-2 diluent at 297 +/- 4 K were investigated in 3 different photochemical reaction chambers. In situ spectroscopic techniques were employed for the detection of products, and the initial concentrations of benzene, NOx, and O-2 were widely varied (by factors of 6300, 1500, and...... 13, respectively). In contrast to results from previous studies, a pronounced dependence of the product distribution on the NOx concentration was observed. The phenol yield decreases from approximately 50-60% in the presence of low concentrations (10 000 ppb) NOx concentrations. In the presence of...

  15. Measurement of Benzene in Air by Iranian Single-Wall Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    Athena Rafieepour

    2012-01-01

    Full Text Available Background: Nanotechnology is a new approach that has been lionized in recentyears. One of its applications is its consumption as an absorbent. In this study, thesingle-wall carbon nanotubes (SWCNTs were used as an absorbent for samplingbenzene in the air.Materials and Methods: For this study, SWCNTs manufactured by Iran and SKC’sactivated charcoal were used for sampling benzene vapors. Preparation and analysis ofthe samples were done by carbon disulfide and GC-FID (gas chromatography-flameionization detector, respectivelyResults: The results indicated that the performance of SWCNTs is less thanconventional activated charcoal for sampling benzene vapors in the airConclusion: The findings of this study showed that the performance of SWCNTs inthe sampling of benzene vapors in the air is very poor and, therefore, cannot be a goodalternative to SKC’s activated charcoal.

  16. Poly[tetraaqua(μ4-benzene-1,3,5-tricarboxylatosodium(Izinc(II

    Directory of Open Access Journals (Sweden)

    Chao-Hong Ma

    2010-04-01

    Full Text Available In the title compound, [NaZn(C9H3O6(H2O4]n, the ZnII atom is six-coordinated by four O atoms from two different benzene-1,3,5-tricarboxylate anions and two water O atoms in a distorted tetragonal-bipyramidal geometry and the NaI atom is five-coordinated by three O atoms from three different benzene-1,3,5-tricarboxylate anions and two water O atoms in a distorted trigonal-bipyramidal geometry. The benzene-1,3,5-tricarboxylate anion bridges two ZnII atoms and two NaI atoms, resulting in the formation of a two-dimensional layer structure. Intermolecular O—H...O hydrogen-bonding interactions generate a three-dimensional superamolecular structure.

  17. Risk estimation of benzene-induced leukemia by radiation equivalent dose

    International Nuclear Information System (INIS)

    Based on the Hiroshima and Nagasaki epidemiological study, risk assessment system for radiation has been well developed and is practically applied to the international protection standards. Hence, defining the radiation equivalent dose for chemical agents could place in the order of their risk. As well as the radiation, benzene causes leukemia to humans. Therefore, we evaluated the radiation-equivalent dose for benzene based on chromosome aberration rates induced by its metabolites and low-dose rate radiation because chromosome aberration is thought to be closely related to the leukemogenesis. Using radiation risk coefficient, the leukemia risk caused by 1 mg/m3 benzene inhalation was estimated 5.5 - 7.3 x 10-8, which is underestimated compared to other studies based on human epidemiological researches. (author)

  18. Characterization of vanadium-doped mesoporous titania and its adsorption of gaseous benzene

    Science.gov (United States)

    Nguyen-Phan, Thuy-Duong; Song, Myoung Bock; Yun, Hyunran; Kim, Eui Jung; Oh, Eun-Suok; Shin, Eun Woo

    2011-01-01

    A series of vanadium-doped mesoporous titania with different metal contents was synthesized in the study via a sol-gel process with the assistance of a dodecylamine surfactant. The existence of vanadium ions not only suppressed crystallization and sintering but also enhanced the porosity of the mesoporous TiO 2. Varying the vanadium concentration led to significant changes in the chemical oxidation state of each component. The presence of metal dopants significantly improved the removal efficiency of benzene and the doping the titania with 5 mol% vanadium removed the most benzene, regardless of the adsorption temperature. The adsorption behavior was elucidated by the specific surface area, the interactions between surface hydroxyl groups and the π-electrons of benzene, and the formation of σ-bonding and d-π* back-donation between the adsorbent and organic compounds.

  19. Catalytic Synthesis of Isopropyl Benzene over SO42-/ZrO2 -MCM-41

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Super acid catalyst SO2-4-/ZrO2 was introduced into pure silicone MCM-41 via the impregnation method and the catalyst samples obtained at different temperatures were characterized by means of XRD, IR, and Py-IR techniques.The selectively catalytic gas-phase flow reactions of benzene with propene over the catalyst samples were carried out in a made-to-measure high-pressure flow reactor equipped with a thermostat and a condenser. Effect of the preparative condition on the catalytic synthesis of isopropyl benzene over the catalyst samples was tested. The results show that SO2-4/ZrO2-MCM-41 (SZM-41) can be used as a catalyst for the title reaction, in which there are a higher conversion (97%) for the propene and a higher selectivity(93%) for the isopropyl benzene.

  20. PERVAPORATION FOR SEPARATING BENZENE/CYCLOHEXANE MIXTURE BY P(AA-MA) COPOLYMER MEMBRANES

    Institute of Scientific and Technical Information of China (English)

    Gao-fei Xu; Wei-pu Zhu

    2011-01-01

    P(AA-MA) copolymers composed of acrylic acid and methyl acrylate with different molecular weights and sequence structures were synthesized by combination of ATRP and selective hydrolysis. These copolymers were used as membrane materials to separate benzene/cyclohexane mixture by pervaporation. The effects of molecular weight and sequence structure of the copolymers on the pervaporation performance were investigated in detail. For the random copolymers, the permeate flux decreased rapidly with the increasing of molecular weight. The separation factor was also influenced by the molecular weight, which was changed from no selectivity to cyclohexane selectivity with increasing the molecular weight. Contrarily, the block copolymer membrane showed good benzene selectivity with separation factor of 4.3 and permeate flux of 157 g/(m2h) to 50 wt% benzene/cyclohexane mixture.

  1. The Role of Acid Strength of Modified NaX Zeoliteson Gas Phase Ethylation of Benzene

    Directory of Open Access Journals (Sweden)

    Sanghamitra Barman

    2010-01-01

    Full Text Available The role of acid strength of modified NaX zeolites in gas phase ethylation of benzene were studied over Ce exchanged NaX zeolite of different types. Acidity of the modified zeolite was investigated by means of adsorbing ammonia at different temperature. The conversion of reactantsvaries with the acid strength as well as the different types of the zeolites. The strong acid sites are active centers while the weak acid sites are inactive. The influences of various process parameters such as temperature, space-time and the feed ratio of benzene to ethanol on benzene conversion over most acidic zeolite were studied. The kinetic and adsorption constants of the rate equations were estimated by the best fit. From the estimated kinetic constants, the activation energies and frequency factors for various reactions were determined. The activation energy values compared well with those reported by other investigators for same reactions over similar catalysts.

  2. Benzene exposures caused by traffic in Munich public transportation systems between 1993 and 1997

    Energy Technology Data Exchange (ETDEWEB)

    Roemmelt, H.; Pfaller, A.; Fruhmann, G.; Nowak, D. [Institute and Outpatient Clinic for Occupational and Environmental Medicine, Ludwig-Maximilians-University Munich, Ziemssenstr. 1, D-80336 Munich (Germany)

    1999-10-29

    Volatile aromatics (benzene, toluene, xylenes, the BTX-aromatics) were measured between 1993 and 1997 in buses and trams in Munich center and along main roads during regular rides. The sampling time was between 07.00 and 00.00 h. A total of 631 probes were sampled and centrally analyzed. In the mean of 5 years we found 15.0 {mu}g benzene/m{sup 3}, 50% above the limit of the 23. BImSchV and 107.5 {mu}g BTX aromates/m{sup 3} along the strongly traffic loaded main streets. Splitting up these mean emissions into single years we observed a trend toward a decline of mean immission of all volatile aromatics (benzene from 23.8 {mu}g/m{sup 3} to 7.4 {mu}g/m{sup 3}) and the sum of BTX aromatics (from 147.5 {mu}g/m{sup 3} to 59.4 {mu}g/m{sup 3}). The measured hydrocarbon concentrations in Munich center were consistent with the long range theoretical calculations concerning the decrease of traffic-caused benzene immissions in cities. If the current trends continue, we can expect benzene concentrations to be below 5 {mu}g/m{sup 3} by the year 2001 and below 2.5 {mu}g/m{sup 3} by the year 2008. At these levels, the carcinogenic risk from benzene is probably less significant than the risks to public health from other car exhaust components.

  3. Protective role of glycerol against benzene stress: insights from the Pseudomonas putida proteome.

    Science.gov (United States)

    Bhaganna, Prashanth; Bielecka, Agata; Molinari, Gabriella; Hallsworth, John E

    2016-05-01

    Chemical activities of hydrophobic substances can determine the windows of environmental conditions over which microbial systems function and the metabolic inhibition of microorganisms by benzene and other hydrophobes can, paradoxically, be reduced by compounds that protect against cellular water stress (Bhaganna et al. in Microb Biotechnol 3:701-716, 2010; Cray et al. in Curr Opin Biotechnol 33:228-259, 2015a). We hypothesized that this protective effect operates at the macromolecule structure-function level and is facilitated, in part at least, by genome-mediated adaptations. Based on proteome profiling of the soil bacterium Pseudomonas putida, we present evidence that (1) benzene induces a chaotrope-stress response, whereas (2) cells cultured in media supplemented with benzene plus glycerol were protected against chaotrope stress. Chaotrope-stress response proteins, such as those involved in lipid and compatible-solute metabolism and removal of reactive oxygen species, were increased by up to 15-fold in benzene-stressed cells relative to those of control cultures (no benzene added). By contrast, cells grown in the presence of benzene + glycerol, even though the latter grew more slowly, exhibited only a weak chaotrope-stress response. These findings provide evidence to support the hypothesis that hydrophobic substances induce a chaotropicity-mediated water stress, that cells respond via genome-mediated adaptations, and that glycerol protects the cell's macromolecular systems. We discuss the possibility of using compatible solutes to mitigate hydrocarbon-induced stresses in lignocellulosic biofuel fermentations and for industrial and environmental applications. PMID:26612269

  4. Qualitative evaluations of benzene in terminals and pipelines; Avaliacoes qualitativas de benzeno em terminais e oleodutos

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Edson Ferreira da; Baltar, Joao Luiz da Conceicao [TRANSPETRO - PETROBRAS Transportes, Rio de Janeiro, RJ (Brazil)

    2005-07-01

    The benzene (C6H6) is a stable hydrocarbon, with pleasant smell, plenty toxic, being able to injure sanguine cells and to cause cancer. It is used as raw materials in the obtainment of several products (inks, waxes, lubricants, etc.), chemicals intermediate and, also, it is found in the petrochemical naphtha and in the gasoline. About 80% of the contaminations for benzene are attributed to the gasoline. In relation to the benzene contents present in the petrochemical processes produced in Brazil, the recent Portaria Interministerial no. 775 (Brazil,2004), of April 28, 2004, prohibits, in whole national territory, the commercialization of finished products that contain benzene in its composition. It is admitted, even so, the presence of this substance as contaminant agent in percentage non superior at 0,8% (in volume), from July 1st, 2004, 0,4% (in volume), from 1st of December of 2005 and 0,1% (in volume), from December 1st, 2007. The Brazilian Ministry of Labour regulation NR-15, P. 776, establish that the companies that produce, transport, store, use or manipulate benzene and its liquid mixtures contends 1% or more of volume, accomplish the registration in the SST - MTE and initiation the Programa de Prevencao de Exposicao Ocupacional ao Benzeno - PPEOB in TRANSPETRO. During the evaluations they had been carried through the recognition of the places, equipment and they had defined the homogeneous groups of exhibition - GHE. From these information, environmental and biological evaluations in the terminals and intermediary stations (TECAM, TEVOL, ESTAP, ESMAN, ESVOL and ESJAP), had been executed, including the accomplishment of essays to determine the presence of benzene in the liquid phase, through the infrared base equipment, GS 1000. With base in the results mitigation and remediation actions were implemented in order to guarantee the occupational health of the components of GHE. (author)

  5. Anaerobic biodegradation of benzene series compounds by mixed cultures based on optional electronic acceptors

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A series of batch experiments were performed using mixed bacterial consortia to investigate biodegradation performance of benzene,toluene,ethylbenzene and three xylene isomers (BTEX) under nitrate,sulfate and ferric iron reducing conditions.The results showed that toluene,ethylbenzeoe,m-xylene and o-xylene could be degraded independently by the mixed cultures coupled to nitrate,sulfate and ferric iron reduction.Under ferric iron reducing conditions the biodegradation of benzene and p-xylene could be occurred only in the presence of other alkylbenzenes.Alkylbenzenes can serve as the primary substrates to stimulate the transformation of benzene and p-xylene under anaerobic conditions.Benzene and p-xylene are more toxic than toluene and ethylbenzene,under the three terminal electron acceptors conditions,the degradation rates decreased with toluene > ethylbenzene > m-xylene > o-xylene > benzene > p-xylene.Nitrate was a more favorable electron acceptor compared to sulfate and ferric iron.The ratio between sulfate consumed and the loss of benzene,toluene,ethylbenzene,o-xylene,m-xylene,p-xylene was 4.44,4.51,4.42,4.32,4.37 and 4.23,respectively;the ratio between nitrate consumed and the loss of these substrates was 7.53,6.24,6.49,7.28,7.81,7.61,respectively;the ratio between the consumption of ferric iron and the loss of toluene,ethylbenzene,o-xylene,m-xylenewas 17.99,18.04,18.07,17.97,respectively.

  6. Penning ionization : In benzene · Ar and fluorobenzene · Ar van der waals molecules and in collisions of benzene with metastable Ar atoms

    Science.gov (United States)

    Rühl, E.; Bisling, P.; Brutschy, B.; Beckmann, K.; Leisen, O.; Morgner, H.

    1986-08-01

    The photoion efficiency curves of the van der Waals complexes benzene ·Ar (Bz·Ar) and fluorobenzene·Ar (Fb·Ar) exhibit sharp resonances, which correspond to excitation to the Ar 2P 3/24s and 2P 1/24s resonance states. The peaks are redshifted relative to their asymptotic values (Bz·Ar, Δ E = -70 ± 10 meV; Fb·Ar, Δ E = -40 ± 10 meV). These findings are supported by electron spectroscopy studies of the Penning ionization of benzene by state-selected metastable Ar ( 3p 2, 3p 0) atoms. Strong evidence is presented that Penning ionization is the process observed in both cases.

  7. Effect of the Number of Benzene-Ring, the Functional Groups and the Absorbent Material on the Performance of Pt Nanoparticles Supported on Modified Graphite Nanoplatelet

    International Nuclear Information System (INIS)

    A graphite nanoplatelet (GNP) modified with small organic molecules and inorganic element was prepared and subsequently used as an electrocatalyst for the electrooxidation of methanol. The Pt/modified-GNP composite catalyst was characterized by Raman spectrometer, X-ray diffraction, transmission electron microscopy and X-ray photoelectron spectroscopy. The electrochemical properties and electrocatalytic activities of the Pt/modified-GNP hybrid were evaluated by cyclic voltammetry and chronoamperometry. The results indicate that the number of benzene-ring in the organic molecules and the identity of the inorganic elements can influence the dispersion of the Pt nanoparticles. Combine the inorganic elements with aminopyrene (amin) improved the activity of the resultant catalysts for methanol electrooxidation. The activity of the catalysts exhibits an order of Pt/Sn-amin-G < Pt/Ce-amin-G < Pt/Al-amin-G

  8. State-resolved three-dimensional electron-momentum correlation in nonsequential double ionization of benzene

    Science.gov (United States)

    Winney, Alexander H.; Lin, Yun Fei; Lee, Suk Kyoung; Adhikari, Pradip; Li, Wen

    2016-03-01

    We report state-resolved electron-momentum correlation measurement of strong-field nonsequential double ionization in benzene. With a novel coincidence detection apparatus, highly efficient triple coincidence (electron-electron dication) and quadruple coincidence (electron-electron-cation-cation) are used to resolve the final ionic states and to characterize three-dimensional (3D) electron-momentum correlation. The primary states associated with dissociative and nondissociative dications are assigned. A 3D momentum anticorrelation is observed for the electrons in coincidence with dissociative benzene dication states whereas such a correlation is absent for nondissociative dication states.

  9. Bond Energy Sums in Benzene, Cyclohexatriene and Cyclohexane Prove Resonance Unnecessary

    OpenAIRE

    Heyrovska, Raji

    2008-01-01

    The recent new structure of benzene shows that it consists of three C atoms of radii as in graphite alternating with three C atoms with double bond radii. This is different from the hypothetical cyclohexatriene (Kekule structure) involving alternate double and single bonds. It was shown that the difference in the bond energy sum of the atomic structure of benzene from that of the Kekule structure is the energy (erroneously) assumed to be due to resonance. Here it is shown that the present str...

  10. An epidemiologic study of early biologic effects of benzene in Chinese workers

    Energy Technology Data Exchange (ETDEWEB)

    Rothman, N.; Hayes, R.B.; Dosemeci, M. [National Cancer Institute, Bethesda, MD (United States)] [and others

    1996-12-01

    Benzene is a recognized hepatotoxin and leukemogen, but its mechanisms of action in humans are still uncertain. To provide insight into these processes, we carried out a cross-sectional study of 44 healthy workers currently exposed to benzene (median 8-hr time-weighted average; 31 ppm), and unexposed controls in Shanghai, China. Here we provide an overview of the study results on peripheral blood cell levels and somatic cell mutation frequency measured by the glycophorin A (GPA) gene loss assay and report on peripheral cytokine levels. 41 refs., 5 tabs.

  11. Effect of the reactor surface roughness on benzene oxidation in dielectric barrier discharges

    Energy Technology Data Exchange (ETDEWEB)

    Li Jing; Han Shitong; Bai Shupei; Shi Xicheng; Han Suling; Song Hua [Research Institute of Chemical Defence, Beijing 100083 (China); Zhu Ximing; Chen Wencong; Pu Yikang [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China)], E-mail: leejengricd@live.cn

    2008-11-01

    Effects of the surface roughness of dielectric barrier discharge reactors on benzene decomposition are analyzed and compared. It is found that increasing the roughness of the reactor surface improves benzene consumption at low specific energy density (SED) and promotes CO formation and carbon balance at high SED. In addition, it is also found that the release of NO and NO{sub 2} is restrained in the reactor with a rough surface at high SED. It is suggested that these results are attributed to the surface reactions on the rough surface.

  12. The effect of different electrodes on the electronic transmission of benzene junctions: Analytical approach

    Science.gov (United States)

    Mohebbi, Razie; Seyed-Yazdi, Jamileh

    2016-06-01

    In this paper we have investigated the electronic transmission of systems electrode-benzene-electrode using the Landauer approach. The effect of different electrodes made of metal (Au) and semiconductors (Si, TiO2) is investigated. These three electrodes are compared between them and the results show that the electronic transmission of benzene junctions, when using semiconductor electrodes, is associated to a gap in transmission which is due to the electrodes band gap. As a consequence, a threshold voltage is necessary to obtain conducting channels.

  13. Spin-polarization reversal at the interface between benzene and Fe(100)

    KAUST Repository

    Goumri-Said, Souraya

    2013-01-03

    The spin-polarization at the interface between Fe(100) and a benzene is investigated theoretically using density functional theory for two positions of the organic molecule: planar and perpendicular with respect to the substrate. The electronic and magnetic properties as well as the spin-polarization close to the Fermi level strongly depend on the benzene position on the iron surface. An inversion of the spin-polarization is induced by p-d hybridization and charge transfer from the iron to the carbon sites in both configurations.

  14. Role of Hydroquinone-Thiol Conjugates in Benzene-Mediated Toxicity

    OpenAIRE

    Lau, Serrine S.; Kuhlman, Christopher; Bratton, Shawn B.; Monks, Terrence J.

    2009-01-01

    Hydroquinone (HQ) is a metabolite of benzene, and in combination with phenol (PHE), reproduces benzene myelotoxicity. HQ readily oxidizes to 1,4-benzoquinone (1,4-BQ) followed by the reductive addition of glutathione (GSH). Subsequent cycles of oxidation and GSH addition give rise to a variety of mono-, and multi-GSH substituted conjugates. Following administration of PHE/HQ (1.1 mmol/kg/0.9 mmol/kg, ip) to male Sprague-Dawley (SD) rats, 2-(glutathion-S-yl)HQ [GS-HQ], 2,5-bis-(glutathion-S-yl...

  15. Partial Hydrogenation of Benzene to Cyclohexene over Ru-Zn/MCM-41

    Directory of Open Access Journals (Sweden)

    Tongtong Zhang

    2015-01-01

    Full Text Available Ru-Zn/MCM-41 catalysts for the partial hydrogenation of benzene with differing Zn contents were prepared by the incipient-wetness impregnation method. The evaluation results indicate that Zn simultaneously depresses the catalysts activity and cyclohexene selectivity. This can be attributed to the change in the amount of the different hydrogenation sites affected by Zn. The weak hydrogenation sites can promote benzene conversion, and the strong hydrogenation sites, a novel kind of hydrogenation site found on the surface of the catalysts under the influence of Zn, are beneficial for cyclohexene hydrogenation.

  16. Crystal structure of 2-benzene-sulfon-amido-3-hy-droxy-propanoic acid.

    Science.gov (United States)

    Jabeen, Nabila; Mushtaq, Misbah; Danish, Muhammad; Tahir, Muhammad Nawaz; Raza, Muhammad Asam

    2015-11-01

    In the title compound, C9H11NO5S, the O=S=O plane of the sulfonyl group is twisted at a dihedral angle of 52.54 (16)° with respect to the benzene ring. The dihedral angle between the carb-oxy-lic acid group and the benzene ring is 49.91 (16)°. In the crystal, C-H⋯O, N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into (001) sheets. PMID:26594589

  17. Ultrafast Photophysics of Star-Like Molecules with Benzene and Triazine Core

    International Nuclear Information System (INIS)

    Static and transient spectroscopic characters of newly synthesized start-like molecules, 1,3,5-tri(10-butyl-3-propenyl-10H-phenothiazine)-benzene (TP3B) and 2,4,6-tri(10-butyl-3-propenyl-10H-phenothiazine)-[1,3,5]triazine (TP3T), are studied using static, picosecond fluorescence and femtosecond transient absorption spectroscopy. The results show that when the benzene group is in the center, a large conjugation system is formed, while a fast electron-transfer process happens when the center group is triazine

  18. Ultrafast Photophysics of Star-Like Molecules with Benzene and Triazine Core

    Institute of Scientific and Technical Information of China (English)

    FENG Wen-Ke; KONG sheng; XIAO Li-Xin; MENG Kang; WANG Shu-Feng; GONG Qi-Huang

    2009-01-01

    Static and transient spectroscopic characters of newly synthesized start-like molecules,1,3,5-tri(10-butyl-3-propenyl-10H-phenothiazine)-benzene(TP3B)and 2,4,6-tri(10-butyl-3-propenyl-10H-phenothiazine)-[1,3,5]triazine(TP3T),are studied using static,picosecond fluorescence and femtosecond transient absorption spectroscopy.The results show that when the benzene group is in the center,a large conjugation system is formed,while a fast electron transfer process happens when the center group is triazine.

  19. Study of hydroxylation of benzene and toluene using a micro-DBD plasma reactor

    Energy Technology Data Exchange (ETDEWEB)

    Sekiguchi, H; Ando, M; Kojima, H [Department of Chemical Engineering, Tokyo Institute of Technology, 2-12-1 O-okayama, Meguro-ku, Tokyo 152-8552 (Japan)

    2005-06-07

    The hydroxylation behaviour of benzene and toluene were studied using a micro-plasma reactor, where an atmospheric non-thermal plasma was generated by a dielectric barrier discharge (DBD). The results indicated that oxidation products primarily consisted of phenol and C{sub 4}-compounds for benzene hydroxylation, whereas cresol, benzaldehyde, benzylalcohol and C{sub 4}-compounds were detected for toluene hydroxylation. By taking into consideration the reaction mechanism in the plasma reactor, these products were classified into (1) oxidation of the aromatic ring and functional group on the ring and (2) cleavage of the aromatic ring or dissociation of the functional group on the ring.

  20. Study of hydroxylation of benzene and toluene using a micro-DBD plasma reactor

    International Nuclear Information System (INIS)

    The hydroxylation behaviour of benzene and toluene were studied using a micro-plasma reactor, where an atmospheric non-thermal plasma was generated by a dielectric barrier discharge (DBD). The results indicated that oxidation products primarily consisted of phenol and C4-compounds for benzene hydroxylation, whereas cresol, benzaldehyde, benzylalcohol and C4-compounds were detected for toluene hydroxylation. By taking into consideration the reaction mechanism in the plasma reactor, these products were classified into (1) oxidation of the aromatic ring and functional group on the ring and (2) cleavage of the aromatic ring or dissociation of the functional group on the ring

  1. Poly[(μ4-benzene-1,3,5-tricarboxylatobis(N,N-dimethylacetamideterbium(III

    Directory of Open Access Journals (Sweden)

    Kun Liu

    2012-04-01

    Full Text Available The title compound, [Tb(C9H3O6(C4H9NO2], shows a rare-earth three-dimensional metal-organic framework structure. In this complex of an eight-coordinated Tb3+ ion, the asymmetric unit contains one benzene-1,3,5-tricarboxylic ligand and two coordinated dimethylacetamide molecules. Each Tb3+ ion is coordinated by six O atoms from four carboxylate groups of the benzene-1,3,5-tricarboxylic ligands and two O atoms from two terminal dimethylacetamide molecules.

  2. Advances in Study on Catalysts for Phenol Synthesis via Catalytic Hydroxylation of Benzene in China

    Institute of Scientific and Technical Information of China (English)

    Zheng Zhaohui

    2004-01-01

    Synthesis of phenol via direct hydroxylation of benzene as a typical reaction of atomic economy has attracted extensive attention worldwide and has also become an actively investigated domain in China. This article refers to the recent domestic advances in study on phenol synthesis via hydroxylation of benzene from the viewpoint of catalysts, and considers the TS-1/H2O2 and FeZSM-5/N2O catalytic systems to be promising ones with good prospects for commercialization along with some suggestions on future research work.

  3. Alkylation mechanism of benzene with 1-dodecene catalyzed by Et3NHCl-AlCl3

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The isotope exchange method was employed to investigate the catalytic mechanism of ionic liquid in alkylation of benzenes with olefins.It is proposed that alkylation was induced by the Lewis acid AlCl3 which attracted π electrons of 1-dodecene to shift toward 1-carbon,thus forming a carbonium ion.The carbonium ion further reacted with benzenes to form a complex.Due to unstabilit of the complex,a deuterated ring proton was transferred into an electronegative 1-carbon of the side chain to substitute for the AlCl3,accordingly 2-phenyldodecane was generated.

  4. Oxides Catalysts of Rare Earth and Transient Metal for Catalytic Oxidation of Benzene

    Institute of Scientific and Technical Information of China (English)

    Liang Kun; Li Rong; Chen Jianjun; Ma Jiantai

    2004-01-01

    The catalysts of CeO2 and the mixture of CeO2 and CuO were prepared, and the activities of these catalysts for completely oxidizing benzene were studied.The results show that the optimal proportion of CeO2/CuO is 6: 4.The highest temperature at which benzene was completely oxidized on these catalysts at different airspeed was measured.Compared these catalysts with the noble metal used, our catalysts had superiority in the resources and the industrial cost besides good activities.

  5. Vibrational characterization of the 1:1 iodine-benzene complex isolated in solid krypton.

    Science.gov (United States)

    Kiviniemi, Tiina; Hulkko, Eero; Kiljunen, Toni; Pettersson, Mika

    2008-06-12

    The structure and properties of a 1:1 iodine-benzene complex isolated in an inert krypton matrix at low temperature have been studied with infrared and resonance Raman spectroscopy and with MP2 calculations. The structure of the ground-state complex is found to be unsymmetric, and the I-I vibrational frequency is found to be red-shifted by 3.94 cm(-1) upon complexation. The experimental data agree well with computational results, leading to the conclusion that the I2-Bz complex structure is not axial but of above-bond type, identically with other halogen-benzene complexes. PMID:18489172

  6. catena-Poly[[aqua(imidazolecadmium(II]-μ3-benzene-1,3-dicarboxylato

    Directory of Open Access Journals (Sweden)

    Zhengfang Zeng

    2010-07-01

    Full Text Available In the title compound, [Cd(C8H4O4(C3H4N2(H2O]n, the CdII ion is seven-coordinated by five O atoms from three crystallographically independent benzene-1,3-carboxylate ligands, one N atom from the imidazole ligand and one coordinated water molecule. Neighboring CdII ions are bridged by the benzene-1,3-dicarboxylate ligands, forming a zigzag polymeric chain structure. These chains are further extended into a three-dimensional supramolecular structure through O—H...O and N—H...O hydrogen bonds.

  7. Azomesogens with 1,2,4-trisubstituted benzene moiety

    Indian Academy of Sciences (India)

    R A Vora; A K Prajapati

    2002-08-01

    New mesogenic homologous series having an azo central linkage was synthesized by fixing a rigid 4-methyl phenyl azo group to resorcinol moiety. The terminal and lateral phenolic –OH groups were esterified, one by one, with 4--alkoxybenzoyl and acetyl group, respectively. All the twelve homologues synthesized exhibit mesomorphism. The methoxy to -decyloxy and -hexadecyloxy derivatives exhibit monotropic nematic mesophase whereas, -dodecyloxy and -tetradecyloxy derivatives exhibit enantiotropic nematic mesophase. The mesogenic properties of the present series was compared with those of other structurally related mesogenic series.

  8. Volatility Derivatives

    OpenAIRE

    Peter Carr; Roger Lee

    2009-01-01

    Volatility derivatives are a class of derivative securities where the payoff explicitly depends on some measure of the volatility of an underlying asset. Prominent examples of these derivatives include variance swaps and VIX futures and options. We provide an overview of the current market for these derivatives. We also survey the early literature on the subject. Finally, we provide relatively simple proofs of some fundamental results related to variance swaps and volatility swaps.

  9. 78 FR 13707 - The Benzene Standard; Extension of the Office of Management and Budget's (OMB) Approval of...

    Science.gov (United States)

    2013-02-28

    ... Order No. 1-2012 (77 FR 3912). ] Signed at Washington, DC, on February 22, 2013. David Michaels... Occupational Safety and Health Administration The Benzene Standard; Extension of the Office of Management and... the information collection requirements specified in the Benzene Standard (29 CFR 1910.1028)....

  10. Construction of Substituted Benzenes via Pd-Catalyzed Cross-Coupling/Cyclization Reaction of Vinyl Halides and Terminal Alkynes.

    Science.gov (United States)

    Xie, Meihua; Wang, Shengke; Wang, Jun; Fang, Kuang; Liu, Changqing; Zha, Chao; Jia, Jing

    2016-04-15

    A tandem Sonogashira coupling/cyclization/aromatization sequence of β-halo vinyl sulfones/ketones with terminal alkynes has been developed for the construction of benzene rings. Polysubstituted functionalized benzenes containing a sulfonyl or an acyl group could be obtained in up to 95% yield. PMID:27015420

  11. Investigation of Isomerization of 2-Seleno-1, 3, 2-diazaphospholidine Derivatives

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    For the first time the isomerization of 1, 3, 2-diazaphospholidine-2-selenide derivatives in refluxing benzene in the presence of trace water was observed. The structures of isomerized products were determined by IR, 1H NMR, 31P NMR, elemental analysis and X-ray crystallography. The mechanism of isomerization was also proposed.

  12. New description of the substituent effect on electronic spectra by means of substituent constants—IV. Charge transfer spectra of EDA complexes of tetracyanoethylene with meta-disubstituted benzenes1

    Science.gov (United States)

    Uno, Bunji; Ninomiya, Yōichi; Kano, Kenji; Kubota, Tanekazu

    Charge transfer spectra of EDA complexes composed of TCNE and various kinds of m-disubstituted benzenes are discussed on the basis of a general equation, theoretically derived to express the substituent effect on electronic spectra. Molecular orbital calculation shows that the HOMO of the substituted benzenes is divided into two groups. One has a2-like character and the other b2-like, so that the substituent effect on the CT spectra has been also classified into two groups, since the CT spectral character is different in the two. This viewpoint is supported by the application of the general equation to the CT spectra. Also, we have applied the equation successfully to the other typical π-π or n-σ type EDA complexes.

  13. SYNTHESIS AND BIOLOGICAL ACTIVITY OF PHENOTHIAZINE DERIVATIVES

    Directory of Open Access Journals (Sweden)

    Sinha Shweta

    2011-04-01

    Full Text Available Phenothiazines are heterocyclic molecules containing two benzene rings linked in a tricyclic system through nitrogen and sulfur atoms.Phenothiazine derivatives having amino alkyl side chain and these are connected to the nitrogen atom of heterocyclic unit playing crucial role in medicinal chemistry.From last few decades a considerable amount of attention has been focussed on synthesis of phenothiazines derivatives and screening them for different pharmacological activities. The investigation of substituted 10H-Phenothiazines has steadily strong growth because they exhibit a wide range of applications. These moieties are widely employed as antibacterial, antiviral, anti-inflammatory, anticancer, sedatives, tranquilizers agents etc. Slight change in substitution pattern in phenothiazine nucleus causes distinguishable difference in their biological activities. In this review we are discussing about synthesis and various biological activities of newly synthesized Phenothiazine derivatives.

  14. Influence of Benzene on the Optical Properties of Titan Haze Laboratory Analogs in the Mid-Visible

    Science.gov (United States)

    Yoon, Y. Heidi; Trainer, Melissa G.; Tolbert, Margaret A.

    2012-01-01

    The Cassini Ion and Neutral Mass Spectrometer (Waite, Jr., et al., 2007) and the Composite Infrared Spectrometer (Coustenis, A., et al., 2007) have detected benzene in the upper atmosphere and stratosphere of Titan. Photochemical reactions involving benzene in Titan's atmosphere may influence polycyclic aromatic hydrocarbon formation, aerosol formation, and the radiative balance of Titan's atmosphere. We measure the effect of benzene on the optical properties of Titan analog particles in the laboratory. Using cavity ring-down aerosol extinction spectroscopy, we determine the real and imaginary refractive index at 532 nm of particles formed by benzene photolysis and Titan analog particles formed with ppm-levels of benzene. These studies are compared to the previous study by Hasenkopf, et a1. (2010) of Titan analog particles formed by methane photolysis.

  15. Gas chromatographic-mass spectroscopic determination of benzene in indoor air during the use of biomass fuels in cooking time.

    Science.gov (United States)

    Sinha, Sukesh Narayan; Kulkarni, P K; Desai, N M; Shah, S H; Patel, G M; Mansuri, M M; Parikh, D J; Saiyed, H N

    2005-02-18

    A gas chromatography-mass spectroscopic method in electron ionization (EI) mode with MS/MS ion preparation using helium at flow rate 1 ml min(-1) as carrier gas on DB-5 capillary column (30 m x 0.25 mm i.d. film thickness 0.25 microm) has been developed for the determination of benzene in indoor air. The detection limit for benzene was 0.002 microg ml(-1) with S/N: 4 (S: 66, N: 14). The benzene concentration for cooks during cooking time in indoor kitchen using dung fuel was 114.1 microg m(-3) while it was 6.6 microg m(-3) for open type kitchen. The benzene concentration was significantly higher (p chemist dealing with GC-MS in confirmation and quantification of benzene in environmental samples with health risk exposure assessment. PMID:15782977

  16. Solubilities of benzene, toluene and diphenyl in the t-butyl alcohol + water mixtures and hydrophobic interaction

    Institute of Scientific and Technical Information of China (English)

    邹立壮; 杨冠英; 韩布兴; 刘瑞麟; 阎海科

    1999-01-01

    The solubilitices of benzene, toluene and diphenyl in mixed solvents of t-butyl alcohol (TBA) and water at 283.15, 288.15, 293.15 and 298.15 K have been determined by spectrophotometry. The mole fraction of TBA [x (TBA)] in the mixed solvent are 0.000, 0.010, 0.020, 0.030, 0.040, 0.045, 0.050, 0.060, 0.080 and 0.100, respectively. The standard Gibbs energies of solution of benzene, toluene and diphenyl in the mixed solvent have also been calculated based on the solubility data. The hydrophobic interactions (HI) for the pairs of benzene-benzene, methane-benzene and methane-methane in the mixed solvent were calculated and discussed.

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

    Directory of Open Access Journals (Sweden)

    Kheirbek Iyad

    2012-07-01

    Full Text Available Abstract 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

  18. 46 CFR Appendix C to Subpart C to... - Medical Surveillance Guidelines for Benzene

    Science.gov (United States)

    2010-10-01

    ... principal effects of benzene exposure addressed in 46 CFR part 197, subpart C, appendix A, are pathological... specified in 46 CFR 197.560 is designed to observe, on a regular basis, blood indices for early signs of... required in 46 CFR 197.560. There are special provisions for medical tests in the event of...

  19. 46 CFR Appendix A to Subpart C to... - Sample Substance Safety Data Sheet, Benzene

    Science.gov (United States)

    2010-10-01

    .... (See 46 CFR 197.570(c).) VIII. Precautions for Safe Use, Handling, and Storage Benzene liquid is highly... in the past while employed by your current employer, your employer may be required by 46 CFR 197.560... protective clothing and equipment (See 46 CFR 197.575.) VII. Access to Records You or your representative...

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

    International Nuclear Information System (INIS)

    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

  1. Selective synthesis of linear alkylbenzene by alkylation of benzene with 1-dodecene over desilicated zeolites

    Czech Academy of Sciences Publication Activity Database

    Aslam, W.; Siddiqui, M. A. B.; Jermy, B. R.; Aitani, A.; Čejka, Jiří; Al-Khattaf, S.

    2014-01-01

    Roč. 227, MAY 2014 (2014), s. 187-197. ISSN 0920-5861 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : zeolites * benzene alkylation * long-chain olefin Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.893, year: 2014

  2. Large nonlinear optical activity from hybrid inorganic–organic films with fluorinated benzene as isolation group

    International Nuclear Information System (INIS)

    Two azo chromophores containing fluorinated benzene and alkyl chain as isolation group were designed and synthesized, respectively, and the corresponding alkoxysilane dyes were obtained by coupling 3-isocyanatopropyltriethoxysilane with the chromophores. The molecular structures were verified by elemental analysis, hydrogen nuclear magnetic resonance, and Fourier transform infrared spectrum. Followed by a sol–gel process of the alkoxysilane dyes, inorganic–organic hybrid films were prepared by spin-coating. After electric poling, these hybrid films show the higher nonlinear optical (NLO) response than their analog containing chromophore DR1. Furthermore, the fluorinated benzene group exhibits better enhanced effect than the flexible alkyl group. The highest NLO coefficients (d33) of the hybrid film containing fluorinated benzene group was determined to be 140.5 pm V−1 at the chromophore concentration of 40%. - Highlights: • Inorganic-organic hybrid films are prepared via sol-gel process of alkoxysilane dyes • Nonlinear optical properties of hybrid films are investigated • Fluorinated benzene group effectively improves the nonlinear optical property

  3. IRIS Toxicological Review of Benzene (Noncancer Effects) (1998 External Review Draft)

    Science.gov (United States)

    Benzene is a widely used as an industrial solvent, an intermediate in chemical synthesis of commercial products, and a component of gasoline. The potential for human exposure via inhalation, dermal, and oral routes is great under environmental and occupational situations. The U.S...

  4. Standard reference data for the air-liquid and vapor-liquid surface tension of benzene

    Czech Academy of Sciences Publication Activity Database

    Součková, Monika; Klomfar, Jaroslav; Pátek, Jaroslav

    2013-01-01

    Roč. 356, October (2013), s. 329-337. ISSN 0378-3812 R&D Projects: GA ČR GA101/09/0010 Institutional support: RVO:61388998 Keywords : benzene * surface tension * experimental data * standard reference data Subject RIV: BJ - Thermodynamics Impact factor: 2.241, year: 2013 http://www.sciencedirect.com/science/article/pii/S0378381213004196

  5. EFFECT OF ETHANOL ON THE NATURAL FERMENTATION OF BENZENE IN GROUNDWATER (ABSTRACT ONLY)

    Science.gov (United States)

    Ethanol is commonly used as a fuel oxygenate in California and in the mid continent area around the Great Lakes. The presence of ethanol in a gasoline spill has raised concerns about the effects of the additive on the natural biodegradation of fuel hydrocarbons, including benzen...

  6. Benzene Synthesis for 14C Measurements and Evaluation of Uncertainty in Mollusk Shells

    International Nuclear Information System (INIS)

    This work describes the method and Instrumentation used by Environmental Isotopes laboratory of the CIEMAT Analytical Chemistry Laboratory (DIAE) for the synthesis of benzene from carbonates of mollusk shells and the liquid scintillation counting of 14C for radiocarbon dating in these samples. The usefulness of mollusk shells for 14C dating are considered. (Author) 15 refs

  7. Benzene and ethylbenzene removal by denitrifying culture in a horizontal fixed bed anaerobic reactor

    Energy Technology Data Exchange (ETDEWEB)

    Gusmao, V.R.; Chinalia, F.A.; Sakamoto, I.K.; Varesche [Univ. de Sao Paulo (Brazil). Dept. de Hidraulica e Saneamento; Thiemann, O.H. [Univ. de Sao Paulo (Brazil). Inst. de Fisica de Sao Carlos

    2004-07-01

    Benzene, ethylbenzene, toluene, and xylene are toxic and are important constituents of gasoline and other petroleum fuels. These compounds are potential health hazards because of their high solubility and hence their ability to contaminate groundwater. Anaerobic immobilized biomass is a way of treating wastewater contaminated with the above compounds. The performance of a specially adapted biofilm is critical in the viability of this idea. In this investigation, an especially adapted biofilm was obtained using a denitrifying bacterial strain isolated from a slaughterhouse wastewater treatment plant. The strain was cultured in a liquid medium with added ethanol, nitrate, ethylbenzene, and benzene. To assess the viability of the strain for the purposes of degradation of ethylbenzene, and benzene two separate horizontal reactors were prepared with polyurethane foam in order to immobilize the biomass. Various concentrations of the two compounds were admitted. At high concentrations chemical oxygen demand decreased dramatically and benzene and ethylbenzene removal almost 100 per cent. DNA sequencing of the biofilm showed that Paracoccus versutus was the dominant species in the ethylbenzene reactor. 7 refs., 6 figs.

  8. Synthesis of polycationic bentonite-ionene complexes and their benzene adsorption capacity

    Directory of Open Access Journals (Sweden)

    Valquíria Campos

    2015-04-01

    Full Text Available The purpose of this work was to structurally modify clays in order to incorporate water-insoluble molecules, such as petroleum hydrocarbons. The potential for ion exchange of quaternary ammonium salts was studied, which revealed their ability to interact with anions on the cationic surface, for environmental applications of the material. Ionenes, also known as polycations, have many potential uses in environmental applications. In this work, cationic aliphatic ammonium polyionenes, specifically 3,6-ionene and 3,6-dodecylionene, were prepared for incorporation into clay to form bentonite-ionene complexes. The intercalation of bentonite with ionene polymers resulted in an increase in the basal spacing of 3,6-dodecylionene from 1.5-3.5 nm. The higher d001 spacing of 3,6-dodecylionene samples than that of 3,6-ionene samples may be attributed to their longer tail length. The behavior of the TG/DTG curves and the activation energy values suggest that 3,6-dodecylionene (E = 174.85 kJ mol–1 is thermally more stable than 3,6 ionene (E = 115.52 kJ mol–1 complexes. The adsorption of benzene by 3,6-ionene and 3,6-dodecylionene was also investigated. The increase in benzene concentrations resulted in increased benzene adsorption by the sorbents tested in this work. The sorption capacity of benzene on ionene-modified bentonite was in the order of 3,6-dodecylionene > 3,6-ionene.

  9. Ethyl benzene-induced ototoxicity in rats : a dose-dependent mild-frequency hearing loss

    NARCIS (Netherlands)

    Cappaert, N.L.M.; Klis, S.F.L.; Baretta, A.B.; Muijser, H.; Smoorenburg, G.F.

    2000-01-01

    Rats were exposed to ethyl benzene at 0, 300, 400 and 550 ppm for 8 hours/day for 5 consecutive days. Three to six weeks after the exposure, auditory function was tested by measuring compound action potentials (CAP) in the frequency range of 1-24 kHz and 2f1-f2 distortion product otoacoustic emissio

  10. Application of toxicogenomic profiling to evaluate effects of benzene and formaldehyde: from yeast to human

    Science.gov (United States)

    McHale, Cliona M.; Smith, Martyn T.; Zhang, Luoping

    2014-01-01

    Genetic variation underlies a significant proportion of the individual variation in human susceptibility to toxicants. The primary current approaches to identify gene–environment (GxE) associations, genome-wide association studies (GWAS) and candidate gene association studies, require large exposed and control populations and an understanding of toxicity genes and pathways, respectively. This limits their application in the study of GxE associations for the leukemogens benzene and formaldehyde, whose toxicity has long been a focus of our research. As an alternative approach, we applied innovative in vitro functional genomics testing systems, including unbiased functional screening assays in yeast and a near-haploid human bone marrow cell line (KBM7). Through comparative genomic and computational analyses of the resulting data, we have identified human genes and pathways that may modulate susceptibility to benzene and formaldehyde. We have validated the roles of several genes in mammalian cell models. In populations occupationally exposed to low levels of benzene, we applied peripheral blood mononuclear cell transcriptomics and chromosome-wide aneuploidy studies (CWAS) in lymphocytes. In this review of the literature, we describe our comprehensive toxicogenomic approach and the potential mechanisms of toxicity and susceptibility genes identified for benzene and formaldehyde, as well as related studies conducted by other researchers. PMID:24571325

  11. Organosulfur chemistry on W(211) surfaces. 2. A comparison of benzene, thiophene, and tetrahydrothiophene

    International Nuclear Information System (INIS)

    The interactions of benzene, thiophene, and tetrahydrothiophene with clean, oxidized, and sulfided W(211) surfaces were studied with LEED, AES, and temperature programmed reaction. Benzene and thiophene appear to absorb as bases making π-bonds to the surface. Benzene decomposed to yield adsorbed carbon and hydrogen. Thiophene appeared to undergo electrophilic attack at the 2-position forming a carbon bound surface intermediate. This surface intermediate was desulfurized and the resulting hydrocarbon surface intermediate underwent C-C bond scission forming C3 hydrocarbons as the dominate desorption product. The electrophilic attack at the 2-position was shown by methyl group elimination from 2,5-dimethylthiophene. Adsorbed oxygen and sulfur enhanced the adsorption of benzene and thiophene by making the surface more acidic. Tetrahydrothiophene (THT) appear to adsorb as a base, forming a bond between the S(3p) electrons and the surface. Desulfurization of adsorbed THT led to C4 hydrocarbons as the dominate desorption product. Adsorbed oxygen and sulfur inhibited reaction of THT. These results suggest that the surface reactivity and subsequent desulfurization of thiophene is controlled by electrophilic attack on the aromatic ring, and the ensuing reduction of resonance stabilization facilitates sulfur removal. 41 references, 8 figures, 4 tables

  12. Kinetic model of deactivation of a nickel catalyst in the reaction of hydrogenation of benzene

    Energy Technology Data Exchange (ETDEWEB)

    Masagutov, R.M.; Spivak, S.I.; Kovaleva, L.V.; Morozov, B.V.; Yaropolova, E.A.

    1988-12-01

    The kinetics of hydrogenation of benzene on a nickel catalyst in conditions of poisoning with thiophene were investigated. A mechanism of deactivation of the catalyst was proposed. A kinetic model of the process was constructed. The numerical values of the constants of the deactivation stages which satisfactorily describe the experimental data were found.

  13. Positron decay in benzene solutions of 3d transition metal acetylacetonates and dipivaloylmethanates

    International Nuclear Information System (INIS)

    The lifetime spectra of positrons and positronium were measured in benzene solutions containing metal acetylacetonates and dipivaloylmethanates. The lifetime of orthopositronium (o-Ps) observed in pure benzene, 3.20 ns, was not significantly affected by the diamagnetic aluminum, nickel(II), and zinc complexes dissolved in benzene, whereas the lifetime was reduced by the paramagnetic manganese(III), iron(III), chromium(III), cobalt(II), and diamagnetic cobalt(III) complexes with the increase in their concentration, e.g., down to 1.60 ns in the case of 0.20 M Mn(acac)3. The intensity (I2) of o-Ps decreased rapidly with an increase in the solute concentration and became saturated at about 0.05 M. The rate constants of the o-Ps annihilation were correlated with polarographic apparent half-wave potentials of the complexes. The large reaction rate constants for Mn(acac)3 and Fe(acac)3 were attributed to the oxidation of o-Ps by the complexes, which show the potentials less negative than -0.5 V vs. mercury pool in benzene--methanol

  14. Small Carbon-Carbon Couplings in Monosubstituted Benzenes - Their Signs and Magnitudes Determined by HCSE Method

    Czech Academy of Sciences Publication Activity Database

    Blechta, Vratislav; Schraml, Jan

    2013-01-01

    Roč. 51, č. 6 (2013), s. 378-381. ISSN 0749-1581 R&D Projects: GA TA ČR TA01010646 Institutional support: RVO:67985858 Keywords : HCSE * carbon-carbon coupling sign * monosubstituted benzenes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.559, year: 2013

  15. Destruction of benzene in an air stream by the outer combined plasma photolysis method

    International Nuclear Information System (INIS)

    An outer combined plasma photolysis (OCPP) reactor that simultaneously utilized a dielectric barrier discharge (DBD) plasma and UV radiation from DBD-driven KrI* excimer was designed and constructed. Gas streams containing benzene were treated with normal DBD and OCPP at atmospheric pressure. In contrast to DBD, benzene removal efficiency increased by 15.9% in OCPP when applied voltage, gas flow rate and initial concentration of benzene were set at 9 kV, 35 L min-1 and 800 mg m-3, respectively. Thus, the applied voltage could be reduced to a certain extent in the plasma decomposition of pollutants with OCPP. In addition, the effects of various operational parameters including pressure of filled Kr, ratio of Kr/I2 and quartz dielectric characteristics on OCPP performance were investigated. Finally, the likely reaction mechanisms for the removal of benzene by OCPP were suggested on the basis of the emission spectra of KrI* excimer and byproducts analysis. Those results would offer prospective commercial applications for pollutant decomposition with OCPP

  16. Destruction of benzene in an air stream by the outer combined plasma photolysis method

    Science.gov (United States)

    Lian Ye, Zhao; Shen, Yan; Zhang Xi, Ren; Hou, Hui Qi

    2008-01-01

    An outer combined plasma photolysis (OCPP) reactor that simultaneously utilized a dielectric barrier discharge (DBD) plasma and UV radiation from DBD-driven KrI* excimer was designed and constructed. Gas streams containing benzene were treated with normal DBD and OCPP at atmospheric pressure. In contrast to DBD, benzene removal efficiency increased by 15.9% in OCPP when applied voltage, gas flow rate and initial concentration of benzene were set at 9 kV, 35 L min-1 and 800 mg m-3, respectively. Thus, the applied voltage could be reduced to a certain extent in the plasma decomposition of pollutants with OCPP. In addition, the effects of various operational parameters including pressure of filled Kr, ratio of Kr/I2 and quartz dielectric characteristics on OCPP performance were investigated. Finally, the likely reaction mechanisms for the removal of benzene by OCPP were suggested on the basis of the emission spectra of KrI* excimer and byproducts analysis. Those results would offer prospective commercial applications for pollutant decomposition with OCPP.

  17. Reaction Kinetics of Ozonation of Trichloroethylene and Benzene in Gas and Liquid Phases

    Institute of Scientific and Technical Information of China (English)

    钟理; KuoChiane-Hai

    2000-01-01

    The kinetics of ozonation reactions of trichloroethylene (TCE) and benzene in gas and liquid phases at 101.3 kPa and 298 K was investigated in this paper. The ozonation of TCE is first order with respect to the ozone concentration and one and half order to TCE in the gas phase with the average rate constant 57.30 (mol·L-1 )-l.5·s-1,and the TCE ozonation in aqueous medium is first order with respect to both ozone and trichloroethylene with the average rate constant 6.30 (mol·L-1)-l·s-1. The ozonation of benzene in the gas phase is first order in ozone but independent of the benzene concentration with the average reaction rate constant 0.0011s-1. The overall kinetics of reaction between ozone and benzene in aqueous solution is found to be first order with one-half order in both ozone and bezene, with the average reaction rate constant 2.67s-1. It is found that the ozonation rate of pallutants is much quicker than that of self-decomposition of ozone in both gas and aqueous phase.

  18. Removal of benzene from wastewater via Fenton pre-treatment followed by enzyme catalyzed polymerization.

    Science.gov (United States)

    Saha, Beeta; Taylor, K E; Bewtra, J K; Biswas, N

    2011-01-01

    This study investigated the feasibility of a two-step process for the removal of benzene from buffered synthetic wastewater. Benzene is outside the scope of enzymatic removal. In order to remove it from wastewater using enzyme, its pretreatment by modified Fenton reaction was employed to generate the corresponding phenolic compounds. In the first phase, the optimum pH, H2O2 and Fe2+ concentrations and reaction time for the Fenton reaction were determined to maximize the conversion of benzene to phenolic compounds without causing significant mineralization. The pretreatment process was followed by oxidative polymerization of the phenolic compounds catalyzed by a laccase from Trametes villosa. Factors of interest for the three-hour enzymatic treatment were pH and laccase concentration. Under optimum Fenton reaction conditions, 80% conversion of the initial benzene concentration was achieved, giving a mixture containing oxidative dimerization product (biphenyl) and hydroxylation products (phenol, catechol, resorcinol, benzoquinone and hydroquinone). Enzymatic removal of biphenyl and benzoquinone was not possible but 2.5 U/mL laccase was successful in removal of the rest of the phenolic PMID:21866766

  19. Dissociation of the benzene molecule by UV and soft X-rays in circumstellar environment

    CERN Document Server

    Boechat-Roberty, H M; Pilling, S; Lago, A F; de Souza, G G B

    2008-01-01

    Benzene molecules, present in the proto-planetary nebula CRL 618, are ionized and dissociated by UV and X-ray photons originated from the hot central star and by its fast wind. Ionic species and free radicals produced by these processes can lead to the formation of new organic molecules. The aim of this work is to study the photoionization and photodissociation processes of the benzene molecule, using synchrotron radiation and time of flight mass spectrometry. Mass spectra were recorded at different energies corresponding to the vacuum ultraviolet (21.21 eV) and soft X-ray (282-310 eV) spectral regions. The production of ions from the benzene dissociative photoionization is here quantified, indicating that C6H6 is more efficiently fragmented by soft X-ray than UV radiation, where 50% of the ionized benzene molecules survive to UV dissociation while only about 4% resist to X-rays. Partial ion yields of H+ and small hydrocarbons such as C2H2+, C3H3+ and C4H2+ are determined as a function of photon energy. Absol...

  20. Theoretical Study on the Complexes of Benzene with Isoelectronic Nitrogen-Containing Heterocycles

    Czech Academy of Sciences Publication Activity Database

    Wang, Weizhou; Hobza, Pavel

    2008-01-01

    Roč. 9, č. 7 (2008), s. 1003-1009. ISSN 1439-4235 R&D Projects: GA MŠk LC512; GA AV ČR IAA400550510 Institutional research plan: CEZ:AV0Z40550506 Keywords : benzene * benzenecomplexes * blue shift Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.636, year: 2008

  1. Summertime measurements of benzene and toluene in Athens using a differential optical absorption spectroscopy system.

    Science.gov (United States)

    Petrakis, Michael; Psiloglou, Basil; Kassomenos, Pavlos A; Cartalis, Costas

    2003-09-01

    In this paper, measurements of benzene, toluene, p,m-xylene, ozone (O3), nitrogen dioxide (NO2), and sulfur dioxide (SO2) made using the differential optical absorption spectroscopy (DOAS) technique during a 4-month period of summer 2000 (June-September) in Athens, Greece, are presented. An assessment of benzene mean value concentrations during this 4-month period exceeded 10 microg/m3, which is 2 times greater than the average yearly limit proposed by European authorities. Toluene measurements present mean values of approximately 33 microg/m3. Benzene and especially toluene measurements are highly correlated with NO2 and anticorrelated with O3. High values of benzene, NO2, and toluene are also correlated with winds from the southeast section, an area of industrial activity where emissions of volatile organic compounds (VOCs) have been recorded in previous studies. O3 is correlated with winds from the south-southwest section affected by the sea breeze circulation. Diurnal variations of O3, NO2, and SO2 concentrations are compatible with measurements from the stations of the Ministry of Environment's network. Outliers are combined with weak winds from the south-southwest. As far as p,m-xylene measurements are concerned, there is a poor correlation between gas chromatography (GC) and DOAS Opsis measurements, also observed in previous relevant campaigns and eventually a criticism in the use of the DOAS Opsis model for the measurement of p,m-xylene. PMID:13678363

  2. Electronic states of 1,4-bis(phenylethynyl)benzene. A synchrotron radiation linear dichroism investigation

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Jones, Nykola C.; Hoffmann, Søren Vrønning;

    2012-01-01

    The electronic transitions of 1,4-bis(phenylethynyl)benzene (BPEB) were investigated by UV synchrotron radiation linear dichroism (SRLD) spectroscopy in the range 25,000 – 58,000 cm–1 (400 – 170 nm) on molecular samples aligned in stretched polyethylene. The investigation was supported by variable...

  3. Novel Carbon Nanotubes-supported NiB Amorphors Alloy Catalyst for Benzene Hydrogenation

    Institute of Scientific and Technical Information of China (English)

    Mei Hua YANG; Rong Bin ZHANG; Feng Yi LI

    2004-01-01

    The NiB amorphous alloy catalysts supported on CNTs and alumina were prepared by impregnation and chemical reduction. The gas-phase benzene hydrogenation was used as a probe reaction to evaluate the catalytic activity. The result showed that the NiB amorphous alloy catalyst supported on carbon nanotubes exhibited higher activity than that supported on alumina.

  4. Laser-Ionization TOF Mass Spectrometer Characterization of Benzene Destruction in Atmospheric Pressure Pulsed Discharge

    Institute of Scientific and Technical Information of China (English)

    LIU Jiahong; XIAO Qingmei; WANG Liping; YAO Zhi; DING Hongbin

    2009-01-01

    Benzene is.a major industrial air pollutant and can cause serious human health disorders. In this paper an investigation on benzene destruction, in an atmospheric-pressure fast-flow pulsed DC-discharge by means of laser ionization combined with time-of-flight (TOF) mass spectrometry, is reported. Most by-products including transient reactive species from the benzene discharge were characterized by molecular beam sampling combined with TOF mass spectrometry.It is showed that, with a gas mixture of 0.5% C6H6 in Ar, benzene can be effectively destroyed by discharge plasma. The intermediate species consisted of small fragments of CNHm (n=3~5,m =1~11), cycle-chain species of CNHm (n=6~9, m = 7~10) and polycyclic species CNHm (n ≥9,m = 8~12). The alternation of mass peaks (intensity) with even/odd electrons was observed in the measured mass spectra. The results indicated that the alternation is mainly due to the different ionization potentials of the open shell and close shell species. Based on the examination of the features of the species' composition, the primary reaction pathways are proposed and discussed.

  5. Interfacial tension between benzene and water in the presence of caprolactam

    NARCIS (Netherlands)

    Tuinier, R.; Krooshof, G.J.P.

    2012-01-01

    We studied the physical properties and the concentration profile of benzene + water + caprolactam mixtures near the fluid–fluid interface using self-consistent field (SCF) theory. This yields the interfacial tension which plays an important role in describing the stability of transient liquid drople

  6. Modular synthesis of 4-aryl- and 4-amino-substituted benzene C-2'-deoxyribonucleosides

    Czech Academy of Sciences Publication Activity Database

    Joubert, Nicolas; Urban, Milan; Pohl, Radek; Hocek, Michal

    -, č. 12 (2008), s. 1918-1932. ISSN 0039-7881 R&D Projects: GA MŠk LC512 Grant ostatní: NIH(US) 1R03TW007372-01 Institutional research plan: CEZ:AV0Z40550506 Keywords : nucleosides * benzenes * genetic alphabet Subject RIV: CC - Organic Chemistry Impact factor: 2.470, year: 2008

  7. Organometallic benzene-vanadium wire: A one-dimensional half-metallic ferromagnet

    DEFF Research Database (Denmark)

    Maslyuk, V.; Bagrets, A.; Meded, V.;

    2006-01-01

    Using density functional theory we perform theoretical investigations of the electronic properties of a freestanding one-dimensional organometallic vanadium-benzene wire. This system represents the limiting case of multidecker V-n(C6H6)(n+1) clusters which can be synthesized with established meth...

  8. The comparison of benzene and CO2 absorption methods for radioisotope 14C dating

    International Nuclear Information System (INIS)

    It had been conducted to research of age determination of carbon samples using CO2 absorption method. This method as alternative to benzene synthesis method for radioisotope 14C dating.The aim of the method is to support some hydrology research's especially groundwater dating using environmental radioisotope 14C.The results which obtain by CO2 absorption method then compared with the results of benzene synthesis method consists of background counter, standard counter, activity and age limit, age, and material cost or component. The research show that compared with benzene synthesis method, sample preparation using CO2 absorption method is more simple and relatively low cost. The use of CO2 absorption method can save the cost about 75 %. The different of both methods is age limit detection. The results of age limit detection when using CO2 absorption and synthesis benzene methods are 33,310 years and 47,533 years respectively. Whereas, based on t test, the age results of both methods for the same sample are obtained relatively equal. (author)

  9. The Retention Behaviors of Benzene and Its Alkyl Homologues in Microemulsion Electrokinetic Chromatography

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The retention behaviors of benzene and its alkyl homologues in microemulsion electrokinetic chromatography were investigated in both anionic and cationic surfactant MEEKC systems. The effects of the composition of microemulsion on retention time and selectivity were studied. A good linear relationship was obtained between log k' and the carbon number of alkyl chain.

  10. Methane-benzene binary mixture destruction in a reverse flow catalytic reactor

    International Nuclear Information System (INIS)

    A reverse flow reactor (RFR) is a packed catalytic bed reactor in which feed flow direction is periodically reversed. When an exothermic catalytic combustion is conducted in a RFR, a hot zone is trapped in the center while both ends of the reactor act as regenerative heat exchanger. This enables an auto thermal operation at high temperatures even for feeds having a low adiabatic temperature rise. These features make RFR highly competitive for VOCs combustion. An experimental study of binary mixture purification in bench scale reverse flow reactor, with an inner diameter of 60 mm, has been carried out. Methane and benzene are chosen due to their different properties. The ignition temperature of methane is higher than any other hydrocarbons and benzene is widely used as solvent in industry. With periodic reversal feed, auto thermal catalytic combustion of very lean binary mixture can be achieved. When peak temperature in the hot zone reaches about 550 degree Celsius, both methane and benzene are well removed and little NOx or no other secondary pollutants are detected. The influence of several operation parameters, such as gas velocity, cycle period and methane-to-benzene ratio are discussed. A mathematical model has been developed and solved using a FORTRAN code, good correspondence being observed between both approaches. This provides a solution if VOC concentration in the contaminated air is too low to maintain an auto thermal operation, while natural gas (which is mainly methane) can be added as auxiliary fuel. (author)

  11. 40 CFR 80.1338 - What criteria must be met to qualify as a small refiner for the gasoline benzene requirements of...

    Science.gov (United States)

    2010-07-01

    ... as a small refiner for the gasoline benzene requirements of this subpart? 80.1338 Section 80.1338... FUELS AND FUEL ADDITIVES Gasoline Benzene Small Refiner Provisions § 80.1338 What criteria must be met to qualify as a small refiner for the gasoline benzene requirements of this subpart? (a) A...

  12. Crystal structure of a benzene sorption complex of dehydrated fully Cd2+-exchanged zeolite x

    International Nuclear Information System (INIS)

    The crystal structure of a benzene sorption complex of fully dehydrated Cd2+-exchanged zeolite X, Cd46Si100Al92-O384·43C6H6 (a=24.880(6) A), has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21.deg.C. The crystal was prepared by ion exchange in a flowing stream of 0.05 M aqueous Cd(NO3)2 for 3 d, followed by dehydration at 400.deg.C and 2x10-6 Torr for 2 d, followed by exposure to about 92 Torr of benzene vapor at 22.deg.C. The structure was determined in this atmosphere and refined to the final error indices R1=0.054 and Rw=0.066 with 561 reflections for which I>3σ(I). In this structure, Cd2+ ions are found at four crystallographic sites: eleven Cd2+ ions are at site I, at the centers of the double six-oxygen rings; six Cd2+ ions lie at site I', in the sodalite cavity opposite to the double six-oxygen rings; and the remaining 29 Cd2+ ions are found at two nonequivalent threefold axes of unit cell, site II' (in the sodalite cavity ) and site II (in the supercage) with occupancies of 2 and 27 ions, respectively. Each of these Cd2+ ions coordinates to three framework oxygens, either at 2.173(13) or 2.224(10) A, respectively, and extends 0.37 A into the sodalite unit or 0.60 A into the supercage from the plane of the three oxygens to which it is bound. The benzene molecules are found at two distinct sites within the supercages. Twenty-seven benzenes lie on threefold axes in the large cavities where they interact facially with the latter 27 site-II Cd2+ ions (Cd2+-benzene center=2.72 A; occupancy=27 molecules/32 sites). The remaining sixteen benzene molecules are found in 12-ring planes; occupancy=16 molecules/16 sites. Each hydrogen of these sixteen benzenes is ca. 2.8/3.0 A from three 12-ring oxygens where each is stabilized by multiple weak electrostatic and van der Waals interactions with framework oxygens

  13. Comparative Investigation of Benzene Steam Reforming over Spinel Supported Rh and Ir Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Mei, Donghai; Lebarbier, Vanessa MC; Rousseau, Roger J.; Glezakou, Vassiliki Alexandra; Albrecht, Karl O.; Kovarik, Libor; Flake, Matthew D.; Dagle, Robert A.

    2013-06-01

    In a combined experimental and first-principles density functional theory (DFT) study, benzene steam reforming (BSR) over MgAl2O4 supported Rh and Ir catalysts was investigated. Experimentally, it has been found that both highly dispersed Rh and Ir clusters (1-2 nm) on the MgAl2O4 spinel support are stable during the BSR in the temperature range of 700-850˚C. Compared to the Ir/MgAl2O4 catalyst, the Rh/MgAl2O4 catalyst is more active with higher benzene turnover frequency and conversion. At typical steam conditions with the steam-to-carbon ratio > 12, the benzene conversion is only a weak function of the H2O concentration in the feed. This suggests that the initial benzene decomposition step rather than the benzene adsorption is most likely the rate-determined step in BSR over supported Rh and Ir catalysts. In order to understand the differences between the two catalysts, we followed with a comparative DFT study of initial benzene decomposition pathways over two representative model systems for each supported metal (Rh and Ir) catalysts. A periodic terrace (111) surface and an amorphous 50-atom metal cluster with a diameter of 1.0 nm were used to represent the two supported model catalysts under low and high dispersion conditions. Our DFT results show that the decreasing catalyst particle size enhances the benzene decomposition on supported Rh catalysts by lowering both C-C and C-H bond scission. The activation barriers of the C-C and the C-H bond scission decrease from 1.60 and 1.61 eV on the Rh(111) surface to 1.34 and 1.26 eV on the Rh50 cluster. For supported Ir catalysts, the decreasing particle size only affects the C-C scission. The activation barrier of the C-C scission of benzene decreases from 1.60 eV on the Ir(111) surface to 1.35 eV on the Ir50 cluster while the barriers of the C-H scission are practically the same. The experimentally measured higher BSR activity on the supported highly dispersed Rh catalyst can be rationalized by the thermodynamic

  14. Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

    International Nuclear Information System (INIS)

    Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we show that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B3N3H6) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy

  15. Adsorption behaviors of thiophene, benzene, and cyclohexene on FAU zeolites: Comparison of CeY obtained by liquid-, and solid-state ion exchange

    Science.gov (United States)

    Qin, Yucai; Mo, Zhousheng; Yu, Wenguang; Dong, Shiwei; Duan, Linhai; Gao, Xionghou; Song, Lijuan

    2014-02-01

    Cerium containing Y zeolites were prepared by liquid- (L-CeY) and solid- (S-CeY) state ion exchange from NaY and HY, respectively. The structural and textural properties were characterized by XRD and N2 adsorption, and acidity properties were characterized by NH3 temperature-programmed desorption (NH3-TPD) and in situ FTIR spectrum of chemisorbed pyridine (in situ Py-FTIR). Furthermore, the single component adsorption and multi-component competitive adsorption behavior of thiophene, benzene and cyclohexene on those zeolites have also been studied by using vapor adsorption isotherms, solution adsorption breakthrough curves, thermogravimetry and derivative thermogravimetry (TG/DTG), frequency response (FR) and in situ FTIR techniques. The results indicate that the primary adsorption mode of benzene is simply micropore filling process, but the nature of effect of aromatics on selective adsorption of thiophene is competitive adsorption. The strong chemical adsorptions and protonization reactions of thiophene and cyclohexene occur upon the Brönsted acid sites of the HY and L-CeY zeolites, and the preferable acid catalytic protonization reactions of olefins hinder the further adsorption of sulfur compounds.

  16. Adsorption behaviors of thiophene, benzene, and cyclohexene on FAU zeolites: Comparison of CeY obtained by liquid-, and solid-state ion exchange

    International Nuclear Information System (INIS)

    Cerium containing Y zeolites were prepared by liquid- (L-CeY) and solid- (S-CeY) state ion exchange from NaY and HY, respectively. The structural and textural properties were characterized by XRD and N2 adsorption, and acidity properties were characterized by NH3 temperature-programmed desorption (NH3-TPD) and in situ FTIR spectrum of chemisorbed pyridine (in situ Py-FTIR). Furthermore, the single component adsorption and multi-component competitive adsorption behavior of thiophene, benzene and cyclohexene on those zeolites have also been studied by using vapor adsorption isotherms, solution adsorption breakthrough curves, thermogravimetry and derivative thermogravimetry (TG/DTG), frequency response (FR) and in situ FTIR techniques. The results indicate that the primary adsorption mode of benzene is simply micropore filling process, but the nature of effect of aromatics on selective adsorption of thiophene is competitive adsorption. The strong chemical adsorptions and protonization reactions of thiophene and cyclohexene occur upon the Brönsted acid sites of the HY and L-CeY zeolites, and the preferable acid catalytic protonization reactions of olefins hinder the further adsorption of sulfur compounds.

  17. 水体中苯的高级氧化及其反应动力学%Peroxone Oxidation and Reaction Kinetics of Benzene in Aqueous Solutions*

    Institute of Scientific and Technical Information of China (English)

    钟理; 詹怀宇

    2001-01-01

    A kinetic model has been developed for the degradation of organic pollutants considering both decomposition of ozone molecules and interaction between ozone and hydrogen peroxide for formation of hydroxyl radical and subsequent reactions. Rate equations were derived for depletion of ozone and pollutants in the advanced oxidation processes (known as the peroxone oxidation). Experiments were carried out at 298 K in the pH range of 3 to 9. Kinetic data obtained experimentally from the hydrogen peroxide_ozone reaction and peroxone oxidation of benzene were analyzed by using the proposed rate equations. The experimental results are in agreement with the theoretical model in basic solutions. Ozone; Hydrogen peroxide; Benzene; kinetics; advanced oxidation processes%根据臭氧的自分解以及臭氧与过氧化氢反应诱发产生OH*自由基机理, 建立了有机污染物降解过程的动力学模型,并推导出有机物高级氧化过程的速率方程。实验研究了废水中的苯在298K和pH=3~9的高级氧化降解过程。在碱性条件下,实验结果与导出的动力学模型相符。

  18. Solubility of methane in benzene, naphthalene, phenanthrene, and pyrene at temperature from 323 to 433 K and pressures to 11. 3 MPa

    Energy Technology Data Exchange (ETDEWEB)

    Darwish, N.A.; Gasem, K.A.M.; Robinson, R.L. Jr. (Oklahoma State Univ., Stillwater, OK (United States). School of Chemical Engineering)

    1994-10-01

    Global energy concerns have prompted increasing efforts to develop processes to produce alternative forms of liquid fuels, such as those derived from coal. In such processes, multiple fluid phases are present in essentially all stages of feed preparation, conversion reactions, and product separation. The effective design and operation of such conversion processes require accurate knowledge of the phase behavior of the fluid mixtures encountered. Studies of the solubilities of light gases in heavy hydrocarbons are also of interest in the processing of petroleum products, enhanced oil recovery, and supercritical fluid processes. Solubility data are presented for methane in each of four aromatic hydrocarbons, including benzene, naphthalene, phenanthrene, and pyrene. The measurements cover temperatures from 323 to 433 K at pressures to 11.3 MPa. The data for methane in benzene are in reasonable agreement with the earlier measurements of Sage, while data for phenanthrene are in excellent agreement with those of Malone. The solubilities are described with a root-mean-squared error of 0.001 in mole fraction by the Soave-Redlich-Kwong and Peng-Robinson equations of state when one interaction parameter is used over the complete temperature range for each binary system. Henry's constant and partial molar volumes at infinite dilution were also calculated on the basis of the Krichevsky-Kasarnovsky equation.

  19. Adsorption behaviors of thiophene, benzene, and cyclohexene on FAU zeolites: Comparison of CeY obtained by liquid-, and solid-state ion exchange

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Yucai [College of Chemistry and Chemical Engineering, China University of Petroleum (East China), Qingdao 266555, Shandong (China); Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning Province, Liaoning Shihua University, Fushun 113001, Liaoning (China); Mo, Zhousheng; Yu, Wenguang; Dong, Shiwei; Duan, Linhai [College of Chemistry and Chemical Engineering, China University of Petroleum (East China), Qingdao 266555, Shandong (China); Gao, Xionghou, E-mail: gaoxionghou@petrochina.com.cn [Petrochemical Research Institute, PetroChina Company Limited, 9 Dongzhimen North Street, Dongcheng District, Beijing 100007 (China); Song, Lijuan, E-mail: lsong56@263.net [College of Chemistry and Chemical Engineering, China University of Petroleum (East China), Qingdao 266555, Shandong (China); Key Laboratory of Petrochemical Catalytic Science and Technology, Liaoning Province, Liaoning Shihua University, Fushun 113001, Liaoning (China)

    2014-02-15

    Cerium containing Y zeolites were prepared by liquid- (L-CeY) and solid- (S-CeY) state ion exchange from NaY and HY, respectively. The structural and textural properties were characterized by XRD and N{sub 2} adsorption, and acidity properties were characterized by NH{sub 3} temperature-programmed desorption (NH{sub 3}-TPD) and in situ FTIR spectrum of chemisorbed pyridine (in situ Py-FTIR). Furthermore, the single component adsorption and multi-component competitive adsorption behavior of thiophene, benzene and cyclohexene on those zeolites have also been studied by using vapor adsorption isotherms, solution adsorption breakthrough curves, thermogravimetry and derivative thermogravimetry (TG/DTG), frequency response (FR) and in situ FTIR techniques. The results indicate that the primary adsorption mode of benzene is simply micropore filling process, but the nature of effect of aromatics on selective adsorption of thiophene is competitive adsorption. The strong chemical adsorptions and protonization reactions of thiophene and cyclohexene occur upon the Brönsted acid sites of the HY and L-CeY zeolites, and the preferable acid catalytic protonization reactions of olefins hinder the further adsorption of sulfur compounds.

  20. Induction of molecular chirality by circularly polarized light in cyclic azobenzene with a photoswitchable benzene rotor.

    Science.gov (United States)

    Hashim, P K; Thomas, Reji; Tamaoki, Nobuyuki

    2011-06-20

    New phototriggered molecular machines based on cyclic azobenzene were synthesized in which a 2,5-dimethoxy, 2,5-dimethyl, 2,5-difluorine or unsubstituted-1,4-dioxybenzene rotating unit and a photoisomerizable 3,3'-dioxyazobenzene moiety are bridged together by fixed bismethylene spacers. Depending upon substitution on the benzene moiety and on the E/Z conformation of the azobenzene unit, these molecules suffer various degrees of restriction on the free rotation of the benzene rotor. The rotation of the substituted benzene rotor within the cyclic azobenzene cavity imparts planar chirality to the molecules. Cyclic azobenzene 1, with methoxy groups at both the 2- and 5-positions of the benzene rotor, was so conformationally restricted that free rotation of the rotor was prevented in both the E and Z isomers and the respective planar chiral enantiomers were resolved. In contrast, compound 2, with 2,5-dimethylbenzene as the rotor, demonstrated the property of a light-controlled molecular brake, whereby rotation of the 2,5-dimethylbenzene moiety is completely stopped in the E isomer (brake ON, rotation OFF), while the rotation is allowed in the Z isomer (brake OFF, rotation ON). The cyclic azobenzene 3, with fluorine substitution on the benzene rotor, was in the brake OFF state regardless of E/Z photoisomerization of the azobenzene moiety. More interestingly, for the first time, we demonstrated the induction of molecular chirality in a simple monocyclic azobenzene by circular-polarized light. The key characteristics of cyclic azobenzene 2, that is, stability of the chiral structure in the E isomer, fast racemization in the Z isomer, and the circular dichroism of enantiomers of both E and Z isomers, resulted in a simple reversible enantio-differentiating photoisomerization directly between the E enantiomers. Upon exposure to r- or l-circularly polarized light at 488 nm, partial enrichment of the (S)- or (R)-enantiomers of 2 was observed. PMID:21567494

  1. Financial Derivatives

    DEFF Research Database (Denmark)

    Wigan, Duncan

    2013-01-01

    Contemporary derivatives mark the development of capital and constitute a novel form of ownership. By reconfiguring the temporal, spatial and legal character of ownership derivatives present a substantive challenge to the tax collecting state. While fiscal systems are nationally bounded and inheren...

  2. Lack of correlation between environmental or biological indicators of benzene exposure at parts per billion levels and micronuclei induction

    International Nuclear Information System (INIS)

    Despite growing concern for possible carcinogenic effects associated with environmental benzene exposure in the general population, few studies exist at parts per billion (ppb) levels. We investigated the existence of a relationship between airborne/biological measurements of benzene exposure i.e., personal/area sampling and unmodified urinary benzene/trans,trans-muconic acid; t,t-MA) and micronuclei induction cytochalasin B technique) among exposed chemical laboratory workers (n=47) and traffic wardens (n=15). Although urinary t,t-MA (106.9±123.17 μg/Lurine) correlated (R2=0.37) with urinary benzene (0.66±0.99 μg/Lurine), neither biological measurement correlated with environmental benzene exposure (14.04±9.71 μg/m3; 4.39±3.03 ppb), suggesting that, at ppb level (1 ppb=3.2 μg/m3), airborne benzene constitutes a fraction of the total intake. Traffic wardens and laboratory workers had comparable numbers of micronuclei (4.70±2.63 versus .76±3.11; n.s.), similar to levels recorded in the general population. With univariate/multivariate analysis, no association was found between micronuclei induction and air/urinary benzene exposure variables. Notably, among the personal characteristics examined (including age, gender, smoking, drinking, etc.), high body mass index correlated with micronuclei induction while, among females, use of hormonal medication was associated with less micronuclei. Thus the present study provides no evidence that ppb levels of environmental benzene exposure appreciably affect micronuclei incidence against the background of other relevant factors). However, this should not be taken as an argument against efforts aiming to reduce environmental benzene pollution

  3. Benzene activation and H/D isotope effects in reactions of size selected iron, cobalt and nickel cluster ions

    International Nuclear Information System (INIS)

    A Penning ion trap served to investigate the reaction of size selected transition metal cluster ions in the size range 3< n<30 with benzene and benzene-d6 under single collision conditions. We performed kinetic studies by Fourier-Transform Ion-Cyclotron-Resonance (FT-ICR) mass spectrometry on anionic and cationic iron, cobalt and nickel clusters. Kinetic Isotope Effects KIE(n) in total reaction rates are inverse, Dehydrogenation Isotope Effects DIE(n) are predominantly normal. A multistep model of adsorption and stepwise dehydrogenation from the precursor adsorbate proves suitable to rationalize the found KIEs and DIEs in principle.

  4. Benzene activation and H/D isotope effects in reactions of size selected iron, cobalt and nickel cluster ions

    Energy Technology Data Exchange (ETDEWEB)

    Merkert, Christine; Mohrbach, Jennifer; Tombers, Matthias; Barzen, Lars; Gaffga, Maximilian; Niedner-Schatteburg, Gereon [Fachbereich Chemie and Forschungszentrum OPTIMAS, Technische Universitaet Kaiserslautern, 67663 Kaiserslautern (Germany)

    2013-07-01

    A Penning ion trap served to investigate the reaction of size selected transition metal cluster ions in the size range 3benzene and benzene-d6 under single collision conditions. We performed kinetic studies by Fourier-Transform Ion-Cyclotron-Resonance (FT-ICR) mass spectrometry on anionic and cationic iron, cobalt and nickel clusters. Kinetic Isotope Effects KIE(n) in total reaction rates are inverse, Dehydrogenation Isotope Effects DIE(n) are predominantly normal. A multistep model of adsorption and stepwise dehydrogenation from the precursor adsorbate proves suitable to rationalize the found KIEs and DIEs in principle.

  5. Cytochromes P450 in benzene metabolism and involvement of their metabolites and reactive oxygen species in toxicity.

    OpenAIRE

    I. Gut; Nedelcheva, V; Soucek, P; Stopka, P.; Tichavská, B

    1996-01-01

    Cytochrome P450 (CYP) 2E1 was the most efficient CYP enzyme that oxidized benzene to soluble and covalently bound metabolites in rat and human liver microsomes. The covalent binding was due mostly to the formation of benzoquinone (BQ), the oxidation product of hydroquinone (HQ), and was inversely related to the formation of soluble metabolites. In rats, inhalation of benzene (4 mg/liter of air) caused a rapid destruction of CYP2B1 previously induced by phenobarbital. The ability of benzene me...

  6. On the role of delocalization in benzene: Theoretical and experimental investigation of the effects of strained ring fusion

    Energy Technology Data Exchange (ETDEWEB)

    Faust, R. [Lawrence Berkeley Lab., CA (United States). Chemical Sciences Div.; California Univ., Berkeley, CA (United States). Dept. of Chemistry

    1993-04-01

    When an important compound`s discovery dates back as far as 1825, one would imagine that every facet of its chemical and physical properties has been illuminated in the meantime. Benzene, however, has not ceased to challenge the chemist`s notion of structure and bonding since its first isolation by Michael Faraday. This report is divided into the following six chapters: 1. Aromaticity -- Criteria, manifestations, structural limitations; 2. The role of delocalization in benzene; 3. The thermochemical properties of benzocyclobutadienologs; 4. Ab initio study of benzenes fused to four-membered rings; 5. Non-planar polycyclic aromatic hydrocarbons; and 6. Experimental details and input decks. 210 Refs.

  7. Conversion of straight-run gas-condensate benzenes into high- octane gasolines based on modified ZSM-5 zeolites

    International Nuclear Information System (INIS)

    This paper describes the conversion of straight-run benzene of gas condensate into high-octane gasoline based on zeolite catalyst ZSM-5, modified in binary system oxide- based Sn (III) and Bi (III). It was defined that the introduction of the binary system oxide-based Sn(III) and Bi (III) into the basic zeolite results in the 2-fold increase of its catalytic activity.High-octane gasoline converted from straight-run benzene is characterized by a low benzol content in comparison to the high-octane benzenes produced during the catalytic reforming

  8. Theoretical Study of the Benzene Cation%苯分子离子的理论研究

    Institute of Scientific and Technical Information of China (English)

    刘亚军; 邝平先; 黄明宝

    2001-01-01

    The Jahn-Teller distorted states, 2B2g and 2B1g of the benzene radical cation have been studied by using ab initio MPn and SDCI methods. The calculations indicate that 2B2g is the ground state of the benzene cation and that 2B1g is higher in energy than 2B2g and represents a saddle point. The calculated isotropic and anisotropic hyperfine coupling constants for the 2B2g state are in excellent agreement with those obtained from the ESR experiments. It is concluded that the benzene cation is in the 2B2g Jahn-Teller distorted state.

  9. Photocatalytic Based Degradation Processes of Lignin Derivatives

    Directory of Open Access Journals (Sweden)

    Colin Awungacha Lekelefac

    2015-01-01

    Full Text Available Photocatalysis, belonging to the advanced oxidation processes (AOPs, is a potential new transformation technology for lignin derivatives to value added products (e.g., phenol, benzene, toluene, and xylene. Moreover, lignin represents the only viable source to produce aromatic compounds as fossil fuel alternative. This review covers recent advancement made in the photochemical transformation of industrial lignins. It starts with the photochemical reaction principle followed by results obtained by varying process parameters. In this context, influences of photocatalysts, metal ions, additives, lignin concentration, and illumination intensity and the influence of pH are presented and discussed. Furthermore, an overview is given on several used process analytical methods describing the results obtained from the degradation of lignin derivatives. Finally, a promising concept by coupling photocatalysis with a consecutive biocatalytic process was briefly reviewed.

  10. Modeling Studies on the Transport of Benzene and H2S in CO2-Water Systems

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, L.; Spycher, N.; Xu, T.; Apps, J.; Kharaka, Y.; Birkholzer, J.T.

    2010-11-05

    In this study, reactive transport simulations were used to assess the mobilization and transport of organics with supercritical CO{sub 2} (SCC), and the co-injection and transport of H{sub 2}S with SCC. These processes were evaluated at conditions of typical storage reservoirs, and for cases of hypothetical leakage from a reservoir to an overlying shallower fresh water aquifer. Modeling capabilities were developed to allow the simulation of multiphase flow and transport of H{sub 2}O, CO{sub 2}, H{sub 2}S, as well as specific organic compounds (benzene), coupled with multicomponent geochemical reaction and transport. This included the development of a new simulator, TMVOC-REACT, starting from existing modules of the TOUGH2 family of codes. This work also included an extensive literature review, calculation, and testing of phase-partitioning properties for mixtures of the phases considered. The reactive transport simulations presented in this report are primarily intended to illustrate the capabilities of the new simulator. They are also intended to help evaluate and understand various processes at play, in a more qualitative than quantitative manner, and only for hypothetical scenarios. Therefore, model results are not intended as realistic assessments of groundwater quality changes for specific locations, and they certainly do not provide an exhaustive evaluation of all possible site conditions, especially given the large variability and uncertainty in hydrogeologic and geochemical parameter input into simulations. The first step in evaluating the potential mobilization and transport of organics was the identification of compounds likely to be present in deep storage formations, and likely to negatively impact freshwater aquifers if mobilized by SCC. On the basis of a literature review related to the occurrence of these organic compounds, their solubility in water and SCC, and their toxicity (as reflected by their maximum contaminant levels MCL), benzene was

  11. Derivative Chameleons

    CERN Document Server

    Noller, Johannes

    2012-01-01

    We consider generalized chameleon models where the conformal coupling between matter and gravitational geometries is not only a function of the chameleon field \\phi, but also of its derivatives via higher order co-ordinate invariants. Specifically we consider the first such non-trivial conformal factor A(\\phi,X), where X is the canonical kinetic term for \\phi. The associated phenomenology is investigated and we show that such theories have a new generic mass-altering mechanism, potentially assisting the generation of a sufficiently large chameleon mass in dense environments. The most general effective potential is derived for such derivative chameleon setups and explicit examples are given. Interestingly this points us to the existence of a purely derivative chameleon protected by a shift symmetry for \\phi. We also discuss potential ghost-like instabilities associated with mass-lifting mechanisms and find another, mass-lowering and instability-free, branch of solutions. This suggests that, barring fine-tuning...

  12. Financial derivatives

    OpenAIRE

    Simon Gray and Joanna Place

    2006-01-01

    Derivatives, ranging from relatively simple forward contracts to complicated options products, are an increasingly important feature of financial markets worldwide. They are already being used in many emerging markets, and as the financial sector becomes deeper and more stable, their use is certain to grow. This Handbook provides a basic guide to the different types of derivatives traded, including the pricing and valuation of the products, and accounting and statistical treatment. Also, it a...

  13. Benzene-contaminated groundwaters - Transport parameters and isotopic evidence for natural attenuation

    International Nuclear Information System (INIS)

    The area of investigation is located on the site of a former hydrogenation plant in Zeitz (Saxonia-Anhalt, Germany). The plant was founded in 1938 to produce gasoline and lubricants originally for the German war industry and was subject of severe bomb strikes in 1944 and 1945 spilling about 250 m3 hydrocarbons into soil. In 1946 it was rebuilt and in the beginning of the 1960's upgraded with a benzene production plant in the eastern part of hydrogenation plant. From 1963 till 1990 the latter produced more than 750,000 t of benzene with maximum production rate in 1979 (79,000 t per year). Leaks and production accidents contaminated groundwater. Contaminations were found in two aquifers

  14. Raman Frequencies Calculated at Various Pressures in Phase I of Benzene

    International Nuclear Information System (INIS)

    We calculate in this study the pressure dependence of the frequencies for the Raman modes of A (Ag), B (Ag, B2g) and C (B1g, B3g) at constant temperatures of 274 and 294K (room temperature) for the solid phase I of benzene. Using the mode Gruneisen parameter of each lattice mode, which correlates the pressure dependence of the crystal volume and the frequency, the Raman frequencies of those modes are computed for phase I of benzene. Our results show that the Raman frequencies of the three lattice modes (A, B and C) increase as the pressure increases, as expected. The temperature effect on the Raman frequencies is not significant, which can be explained by the experimental measurements

  15. High spin-filter efficiency and Seebeck effect through spin-crossover iron-benzene complex

    Science.gov (United States)

    Yan, Qiang; Zhou, Liping; Cheng, Jue-Fei; Wen, Zhongqian; Han, Qin; Wang, Xue-Feng

    2016-04-01

    Electronic structures and coherent quantum transport properties are explored for spin-crossover molecule iron-benzene Fe(Bz)2 using density functional theory combined with non-equilibrium Green's function. High- and low-spin states are investigated for two different lead-molecule junctions. It is found that the asymmetrical T-shaped contact junction in the high-spin state behaves as an efficient spin filter while it has a smaller conductivity than that in the low-spin state. Large spin Seebeck effect is also observed in asymmetrical T-shaped junction. Spin-polarized properties are absent in the symmetrical H-shaped junction. These findings strongly suggest that both the electronic and contact configurations play significant roles in molecular devices and metal-benzene complexes are promising materials for spintronics and thermo-spintronics.

  16. Scaling in polymers: I. The ortho-fused spiral-benzenes

    CERN Document Server

    Miller, H G; van Rooyen, P H

    2009-01-01

    Analogous to a model that predicts the linear scaling of the binding energy of a nucleus from the number of nucleons, a simple model was developed to account for the observed linear variation of the quantum-chemically computed total electronic energy of the fully-optimized structures of a homologous series of polymers. This model was tested with both ab-initio DFT and molecular mechanics methods on the ortho-fused spiral-benzenes. Both methods predict linear scaling of total polymer energy with increasing number of repeating units added. Since this is also the case for the linear ortho-fused zigzag-benzenes and other polymers, it is postulated that the model is applicable to polymers in general. It may, therefore, be used to predict physical properties of long-chain polymers.

  17. An expanded cohort study of cancer among benzene-exposed workers in China

    Energy Technology Data Exchange (ETDEWEB)

    Song-Nian Yin; Gui-Lan Li; Zhi-Nan Zhang [Chinese Academy of Preventive Medicine, Bejing (China)] [and others

    1996-12-01

    An expanded cohort study of 74,828 benzene-exposed and 35,805 unexposed workers were followed during 1972 to 1987, based on a previous study in 12 cities in China. A small increase was observed in total cancer mortality among benzene-exposed compared with unexposed Workers (relative risk [RR] = 1-2). Statistically significant excesses were noted for leukemia (RR = 2.3), malignant lymphoma (RR = 4.5), and lung cancer (RR = 1.4). When risks were evaluated by leukemia subtype, only acute myelogenous leukemia was significantly elevated (RR = 3.1), although nonsignificant excesses were also noted for chronic myelogenous leukemia (RR = 2.6) and acute lymphocytic leukemia (RR = 2.3). A significant excess was also found for aplastic anemia. 19 refs., 5 tabs.

  18. "Plug-and-Play" potentials: Investigating quantum effects in (H2)2-Li+-benzene

    Science.gov (United States)

    D'Arcy, Jordan H.; Kolmann, Stephen J.; Jordan, Meredith J. T.

    2015-08-01

    Quantum and anharmonic effects are investigated in (H2)2-Li+-benzene, a model for hydrogen adsorption in metal-organic frameworks and carbon-based materials, using rigid-body diffusion Monte Carlo (RBDMC) simulations. The potential-energy surface (PES) is calculated as a modified Shepard interpolation of M05-2X/6-311+G(2df,p) electronic structure data. The RBDMC simulations yield zero-point energies (ZPE) and probability density histograms that describe the ground-state nuclear wavefunction. Binding a second H2 molecule to the H2-Li+-benzene complex increases the ZPE of the system by 5.6 kJ mol-1 to 17.6 kJ mol-1. This ZPE is 42% of the total electronic binding energy of (H2)2-Li+-benzene and cannot be neglected. Our best estimate of the 0 K binding enthalpy of the second H2 to H2-Li+-benzene is 7.7 kJ mol-1, compared to 12.4 kJ mol-1 for the first H2 molecule. Anharmonicity is found to be even more important when a second (and subsequent) H2 molecule is adsorbed; use of harmonic ZPEs results in significant error in the 0 K binding enthalpy. Probability density histograms reveal that the two H2 molecules are found at larger distance from the Li+ ion and are more confined in the θ coordinate than in H2-Li+-benzene. They also show that both H2 molecules are delocalized in the azimuthal coordinate, ϕ. That is, adding a second H2 molecule is insufficient to localize the wavefunction in ϕ. Two fragment-based (H2)2-Li+-benzene PESs are developed. These use a modified Shepard interpolation for the Li+-benzene and H2-Li+-benzene fragments, and either modified Shepard interpolation or a cubic spline to model the H2-H2 interaction. Because of the neglect of three-body H2, H2, Li+ terms, both fragment PESs lead to overbinding of the second H2 molecule by 1.5 kJ mol-1. Probability density histograms, however, indicate that the wavefunctions for the two H2 molecules are effectively identical on the "full" and fragment PESs. This suggests that the 1.5 kJ mol-1 error is

  19. "Plug-and-Play" potentials: Investigating quantum effects in (H2)2-Li(+)-benzene.

    Science.gov (United States)

    D'Arcy, Jordan H; Kolmann, Stephen J; Jordan, Meredith J T

    2015-08-21

    Quantum and anharmonic effects are investigated in (H2)2-Li(+)-benzene, a model for hydrogen adsorption in metal-organic frameworks and carbon-based materials, using rigid-body diffusion Monte Carlo (RBDMC) simulations. The potential-energy surface (PES) is calculated as a modified Shepard interpolation of M05-2X/6-311+G(2df,p) electronic structure data. The RBDMC simulations yield zero-point energies (ZPE) and probability density histograms that describe the ground-state nuclear wavefunction. Binding a second H2 molecule to the H2-Li(+)-benzene complex increases the ZPE of the system by 5.6 kJ mol(-1) to 17.6 kJ mol(-1). This ZPE is 42% of the total electronic binding energy of (H2)2-Li(+)-benzene and cannot be neglected. Our best estimate of the 0 K binding enthalpy of the second H2 to H2-Li(+)-benzene is 7.7 kJ mol(-1), compared to 12.4 kJ mol(-1) for the first H2 molecule. Anharmonicity is found to be even more important when a second (and subsequent) H2 molecule is adsorbed; use of harmonic ZPEs results in significant error in the 0 K binding enthalpy. Probability density histograms reveal that the two H2 molecules are found at larger distance from the Li(+) ion and are more confined in the θ coordinate than in H2-Li(+)-benzene. They also show that both H2 molecules are delocalized in the azimuthal coordinate, ϕ. That is, adding a second H2 molecule is insufficient to localize the wavefunction in ϕ. Two fragment-based (H2)2-Li(+)-benzene PESs are developed. These use a modified Shepard interpolation for the Li(+)-benzene and H2-Li(+)-benzene fragments, and either modified Shepard interpolation or a cubic spline to model the H2-H2 interaction. Because of the neglect of three-body H2, H2, Li(+) terms, both fragment PESs lead to overbinding of the second H2 molecule by 1.5 kJ mol(-1). Probability density histograms, however, indicate that the wavefunctions for the two H2 molecules are effectively identical on the "full" and fragment PESs. This suggests that

  20. Effects of ionizing radiation and benzene on some parameters of immunoreactivity in spleen and lymph nodes

    International Nuclear Information System (INIS)

    Under the influence of the combined action of gamma-radiation (1 Gy, 1.15 Gy/min) and benzene the sinergistic reduction of proportion and absolute content of B-cells and less expressed reduction of absolute content of T-cells in spleen and lymph nodes was observed. In spleen the thymus-dependent humoral immune response was resistant to combined effect of irradiation and benzene, while in lymph nodes it was highly sensitive. The profound suppression of antibody formation in lymph nodes was characterized by synergism. It was accompanied by the block of specific recruitment of antigen sensitive cells within drained lymph nodes from migration streem. The suppression of local immune response resulting from the combined effect of radiation and toxicants may be the cause of protective immunity disturbance. (author)