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Sample records for native polycyclic aromatic

  1. Bioavailability of lab-contaminated and native polycyclic aromatic hydrocarbons to the amphipod Corophium volutator relates to chemical desorption.

    PubMed

    Kraaij, R H; Ciarelli, S; Tolls, J; Kater, B J; Belfroid, A

    2001-08-01

    In the present study, the relationship between bioavailability of polycyclic aromatic hydrocarbons (PAHs) to benthic amphipods and the PAH desorption kinetics was examined. To that end, field-contaminated sediment was treated in three different ways. One subsample had no addition of PAHs and contained native PAHs only. To a second subsample, six PAHs (phenanthrene, fluoranthene, anthracene, pyrene, benzo[b]fluoranthene, and benzo[k]fluoranthene) were added in the laboratory. Two of the PAHs were added at higher concentrations to a third subsample, serving as a control for concentration-dependent uptake. Marine amphipods (Corophium volutator) were exposed to the three subsamples for a maximum of 25 d and were subsequently analyzed. Desorption kinetics were determined for both the lab-contaminated and the native PAHs. The biota-to-sediment accumulation factor (BSAF) values of the individual native and lab-contaminated PAHs correlated well with the rapidly desorbing fraction (R2 = 0.76). The BSAFs were 1.4 to 3.3 higher for the lab-contaminated PAHs compared with the native PAHs, while the difference between the rapidly desorbing fractions was a factor of 1.1 to 1.8. The BSAFs of the lab-contaminated PAHs in the second and third subsample were equal, indicating concentration-independent accumulation. The results suggest that lab-contaminated PAHs are more available to amphipods than native PAHs and that differences in bioavailability of lab-contaminated and native PAHs to marine amphipods are related to differences in desorption behavior.

  2. The polycyclic aromatic hydrocarbon degradation potential of Gulf of Mexico native coastal microbial communities after the Deepwater Horizon oil spill

    PubMed Central

    Kappell, Anthony D.; Wei, Yin; Newton, Ryan J.; Van Nostrand, Joy D.; Zhou, Jizhong; McLellan, Sandra L.; Hristova, Krassimira R.

    2014-01-01

    The Deepwater Horizon (DWH) blowout resulted in oil transport, including polycyclic aromatic hydrocarbons (PAHs) to the Gulf of Mexico shoreline. The microbial communities of these shorelines are thought to be responsible for the intrinsic degradation of PAHs. To investigate the Gulf Coast beach microbial community response to hydrocarbon exposure, we examined the functional gene diversity, bacterial community composition, and PAH degradation capacity of a heavily oiled and non-oiled beach following the oil exposure. With a non-expression functional gene microarray targeting 539 gene families, we detected 28,748 coding sequences. Of these sequences, 10% were uniquely associated with the severely oil-contaminated beach and 6.0% with the non-oiled beach. There was little variation in the functional genes detected between the two beaches; however the relative abundance of functional genes involved in oil degradation pathways, including polycyclic aromatic hydrocarbons (PAHs), were greater in the oiled beach. The microbial PAH degradation potentials of both beaches, were tested in mesocosms. Mesocosms were constructed in glass columns using sands with native microbial communities, circulated with artificial sea water and challenged with a mixture of PAHs. The low-molecular weight PAHs, fluorene and naphthalene, showed rapid depletion in all mesocosms while the high-molecular weight benzo[α]pyrene was not degraded by either microbial community. Both the heavily oiled and the non-impacted coastal communities showed little variation in their biodegradation ability for low molecular weight PAHs. Massively-parallel sequencing of 16S rRNA genes from mesocosm DNA showed that known PAH degraders and genera frequently associated with oil hydrocarbon degradation represented a major portion of the bacterial community. The observed similar response by microbial communities from beaches with a different recent history of oil exposure suggests that Gulf Coast beach communities are

  3. The polycyclic aromatic hydrocarbon degradation potential of Gulf of Mexico native coastal microbial communities after the Deepwater Horizon oil spill.

    PubMed

    Kappell, Anthony D; Wei, Yin; Newton, Ryan J; Van Nostrand, Joy D; Zhou, Jizhong; McLellan, Sandra L; Hristova, Krassimira R

    2014-01-01

    The Deepwater Horizon (DWH) blowout resulted in oil transport, including polycyclic aromatic hydrocarbons (PAHs) to the Gulf of Mexico shoreline. The microbial communities of these shorelines are thought to be responsible for the intrinsic degradation of PAHs. To investigate the Gulf Coast beach microbial community response to hydrocarbon exposure, we examined the functional gene diversity, bacterial community composition, and PAH degradation capacity of a heavily oiled and non-oiled beach following the oil exposure. With a non-expression functional gene microarray targeting 539 gene families, we detected 28,748 coding sequences. Of these sequences, 10% were uniquely associated with the severely oil-contaminated beach and 6.0% with the non-oiled beach. There was little variation in the functional genes detected between the two beaches; however the relative abundance of functional genes involved in oil degradation pathways, including polycyclic aromatic hydrocarbons (PAHs), were greater in the oiled beach. The microbial PAH degradation potentials of both beaches, were tested in mesocosms. Mesocosms were constructed in glass columns using sands with native microbial communities, circulated with artificial sea water and challenged with a mixture of PAHs. The low-molecular weight PAHs, fluorene and naphthalene, showed rapid depletion in all mesocosms while the high-molecular weight benzo[α]pyrene was not degraded by either microbial community. Both the heavily oiled and the non-impacted coastal communities showed little variation in their biodegradation ability for low molecular weight PAHs. Massively-parallel sequencing of 16S rRNA genes from mesocosm DNA showed that known PAH degraders and genera frequently associated with oil hydrocarbon degradation represented a major portion of the bacterial community. The observed similar response by microbial communities from beaches with a different recent history of oil exposure suggests that Gulf Coast beach communities are

  4. Bioassay of polycyclic aromatic hydrocarbons

    SciTech Connect

    Van Kirk, E.A.

    1980-08-01

    A positive relationship was found between the photodynamic activity of 24 polycyclic aromatic hydrocarbons versus published results on the mutagenicity, carcinogenicity, and initiation of unscheduled DNA synthesis. Metabolic activation of benzo(a)pyrene resulted in detection of increased mutagenesis in Paramecium tetraurelia as found also in the Ames Salmonella assay. The utility of P. tetraurelia as a biological detector of hazardous polycyclic aromatic hydrocarbons is discussed.

  5. Contorted polycyclic aromatics.

    PubMed

    Ball, Melissa; Zhong, Yu; Wu, Ying; Schenck, Christine; Ng, Fay; Steigerwald, Michael; Xiao, Shengxiong; Nuckolls, Colin

    2015-02-17

    CONSPECTUS: This Account describes a body of research in the design, synthesis, and assembly of molecular materials made from strained polycyclic aromatic molecules. The strain in the molecular subunits severely distorts the aromatic molecules away from planarity. We coined the term "contorted aromatics" to describe this class of molecules. Using these molecules, we demonstrate that the curved pi-surfaces are useful as subunits to make self-assembled electronic materials. We have created and continue to study two broad classes of these "contorted aromatics": discs and ribbons. The figure that accompanies this conspectus displays the three-dimensional surfaces of a selection of these "contorted aromatics". The disc-shaped contorted molecules have well-defined conformations that create concave pi-surfaces. When these disc-shaped molecules are substituted with hydrocarbon side chains, they self-assemble into columnar superstructures. Depending on the hydrocarbon substitution, they form either liquid crystalline films or macroscopic cables. In both cases, the columnar structures are photoconductive and form p-type, hole- transporting materials in field effect transistor devices. This columnar motif is robust, allowing us to form monolayers of these columns attached to the surface of dielectrics such as silicon oxide. We use ultrathin point contacts made from individual single-walled carbon nanotubes that are separated by a few nanometers to probe the electronic properties of short stacks of a few contorted discs. We find that these materials have high mobility and can sense electron-deficient aromatic molecules. The concave surfaces of these disc-shaped contorted molecules form ideal receptors for the molecular recognition and assembly with spherical molecules such as fullerenes. These interfaces resemble ball-and-socket joints, where the fullerene nests itself in the concave surface of the contorted disc. The tightness of the binding between the two partners can be

  6. The impact of drying on structure of sedimentary organic matter in wetlands: Probing with native and amended polycyclic aromatic hydrocarbons.

    PubMed

    Wang, Zucheng; Liu, Zhanfei; Liu, Min; Xu, Kehui; Mayer, Lawrence M

    2016-10-15

    Wetland sediments undergo dry-wet cycles that may change their structural properties and affect geochemical behavior of associated organic compounds. In this study, we examined the effect of drying on particle size distributions and the rapid (24h) sorption reactions of polycyclic aromatic hydrocarbons (PAHs) with salt marsh sediments in Nueces Delta, South Texas. Drying reduced the fraction of fine particles in organically richer sediments, indicating structural rearrangement of organic matter and mineral aggregates. Among the 16 EPA priority PAHs examined, dried sediment preferentially released 1.0-7.5% of phenanthrene, fluoranthene and pyrene to added seawater (solid: water mass ratio of 1/100) - significantly greater than release from sediments maintained in the wet state. On the other hand, drying also increased the affinity of sedimentary organic matter (SOM) for experimentally amended (deuterated) phenanthrene relative to continually wet sediments. Further, deuterated phenanthrene was even more effectively retained when it was added to wet sediment that was subsequently dried and rewetted. These apparently contradictory results can be reconciled and explained by SOM having a heterogeneous distribution of hydrophobic and hydrophilic zones - e.g., a zonal model. We propose that drying changed the orientation of amphiphilic SOM, exposing hydrophobic zones and promoting the release of some of their native PAHs to water. Freshly amended PAHs were only able to penetrate into the surface hydrophobic zone and/or deeper but rapidly accessible ("kinetic") zone in wet sediments due to the brief adsorption contact time. Subsequent drying presumably then induced structural changes in SOM that isolated these amended PAHs in sites inaccessible to water exchange in the next rewetting. These results provide insights into structural changes of SOM upon drying, and help predict the fate of compounds such as organic contaminants during drought/flood oscillations.

  7. Polycyclic Aromatic Hydrocarbons

    NASA Technical Reports Server (NTRS)

    Salama, Farid

    2010-01-01

    Carbonaceous materials play an important role in space. Polycyclic Aromatic Hydrocarbons (PAHs) are a ubiquitous component of the carbonaceous materials. PAHs are the best-known candidates to account for the IR emission bands. They are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge is to reproduce in the laboratory the physical conditions that exist in the emission and absorption interstellar zones. The harsh physical conditions of the ISM -low temperature, collisionless, strong UV radiation fields- are simulated in the laboratory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions and radicals are formed from the neutral precursors in an isolated environment at low temperature and probed with high-sensitivity cavity ringdown spectroscopy in the NUV-NIR range. Carbon nanoparticles are also formed during the short residence time of the precursors in the plasma and are characterized with time-offlight mass spectrometry. These experiments provide unique information on the spectra of large carbonaceous molecules and ions in the gas phase that can now be directly compared to interstellar and circumstellar observations (IR emission bands, DIBs, extinction curve). These findings also hold great potential for understanding the formation process of interstellar carbonaceous grains. We will review recent progress in the experimental and theoretical studies of PAHs, compare the laboratory data with astronomical observations and discuss the global implications.

  8. THE PHOTOTOXICITY OF POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    The U.S. Environmental Protection Agency (EPA) continues to be interested in developing methods for the detection of polycyclic aromatic hydrocarbons (PAHS) in the environment. Polycyclic aromatic hydrocarbons (PAHS) are common contaminants in our environment. Being major product...

  9. THE PHOTOTOXICITY OF POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    The U.S. Environmental Protection Agency (EPA) continues to be interested in developing methods for the detection of polycyclic aromatic hydrocarbons (PAHS) in the environment. Polycyclic aromatic hydrocarbons (PAHS) are common contaminants in our environment. Being major product...

  10. Polycyclic aromatic hydrocarbons in carcinogenesis.

    PubMed Central

    Warshawsky, D

    1999-01-01

    A symposium on "Polycyclic Aromatic Hydrocarbons (PAHs) in Carcinogenesis" was presented at the third International Congress of Pathophysiology held in Lathi, Finland, 28 June-3 July 1998. The congress was also sponsored by the International Union of Biological Sciences and the International Society of Free Radical Research. Institutional support for the symposium included the Electric Power Research Institute, National Center for Toxicological Research, and EPA/National Health and Environmental Effects Research Laboratory and the Office of Solid Waste and Emergency Response. The symposium focused on the sources, carcinogenicity, genotoxicity, and risk assessment of individual and mixtures of PAHs that are found in solid wastes, Superfund sites, and other hazardous waste sites. Based on the occurrence of PAHs at numerous Superfund sites and the significant data gaps on the toxic potential of certain PAHs, the information developed during this symposium would be of value in assessing health risks of these chemicals at Superfund and other hazardous waste sites. PMID:10090712

  11. Birds and polycyclic aromatic hydrocarbons

    USGS Publications Warehouse

    Albers, P.H.

    2006-01-01

    Polycyclic aromatic hydrocarbons (PAH) are present throughout the global environment and are produced naturally and by activities of humans. Effects of PAH on birds have been determined by studies employing egg injection, egg immersion, egg shell application, single and multiple oral doses, subcutaneous injection, and chemical analysis of field-collected eggs and tissue. The four-to six-ring aromatic compounds are the most toxic to embryos, young birds, and adult birds. For embryos, effects include death, developmental abnormalities, and a variety of cellular and biochemical responses. For adult and young birds, effects include reduced egg production and hatching, increased clutch or brood abandonment, reduced growth, increased organweights, and a variety of biochemical responses. Trophic level accumulation is unlikely. Environmental exposure to PAH in areas of high human population or habitats affected by recent petroleum spills might be sufficient to adversely affect reproduction. Evidence of long-term effects of elevated concentrations of environmental PAH on bird populations is very limited and the mechanisms of effect are unclear.

  12. Biodegradation of polycyclic aromatic hydrocarbons (PAHs) by native microflora and combinations of white-rot fungi in a coal-tar contaminated soil.

    PubMed

    Canet, R; Birnstingl, J G; Malcolm, D G; Lopez-Real, J M; Beck, A J

    2001-01-01

    Four white-rot fungi (Phanerochaete chrysosporium IMI 232175, Pleurotus ostreatus from the University of Alberta Microfungus Collection IMI 341687, Coriolus versicolor IMI 210866 and Wye isolate #7) and all possible combinations of two or more of these fungi, were incubated in microcosms containing wheat straw and non-sterile coal-tar contaminated soil to determine their potential to degrade polycyclic aromatic hydrocarbons (PAHs). Biotic and abiotic controls were prepared similarly and PAH concentrations remaining in each microcosm were determined after 8, 16 and 32 weeks by GC-MS following extraction with dichloromethane. The greatest PAH losses were in the biotic control, compared to small or negligible differences in microcosms inoculated with one or more fungi. These results suggest that in the biotic control native microorganisms colonised the straw added as organic substrate and degraded PAH as an indirect consequence of their metabolism. By contrast, in other microcosms, colonisation of straw by the natural microflora was inhibited because the straw was previously inoculated with fungi. Soil cultures prepared at the end of the experiment showed that though introduced fungi were still alive, they were unable to thrive and degrade PAH in such a highly contaminated soil and remained in a metabolically inactive form.

  13. Infrared Spectra of Polycyclic Aromatic Hydrocarbons (PAHs)

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Bakes, E. L. O.

    2000-01-01

    We have computed the synthetic infrared spectra of some polycyclic aromatic hydrocarbons containing up to 54 carbon atoms. The species studied include ovalene, circumcoronene, dicoronylene, and hexabenzocoronene. We report spectra for anions, neutrals, cations, and multiply charged cations.

  14. PROTONATED POLYCYCLIC AROMATIC HYDROCARBONS REVISITED

    SciTech Connect

    Ricca, Alessandra; Bauschlicher, Charles W. Jr; Allamandola, Louis J. E-mail: Charles.W.Bauschlicher@nasa.gov

    2011-02-01

    We reconsider the contribution that singly protonated polycyclic aromatic hydrocarbons (PAHs; HPAH{sup +}s) might make to the Class A component of the 6.2 {mu}m interstellar emission feature in light of the recent experimental measurements of protonated naphthalene and coronene. Our calculations on the small HPAH{sup +}s have a band near 6.2 {mu}m, as found in experiment. While the larger HPAH{sup +}s still have emission near 6.2 {mu}m, the much larger intensity of the band near 6.3 {mu}m overwhelms the weaker band at 6.2 {mu}m, so that the 6.2 {mu}m band is barely visible. Since the large PAHs are more representative of those in the interstellar medium, our work suggests that large HPAH{sup +}s cannot be major contributors to the observed emission at 6.2 {mu}m (i.e., Class A species). Saturating large PAH cations with hydrogen atoms retains the 6.2 {mu}m Class A band position, but the rest of the spectrum is inconsistent with observed spectra.

  15. Polycyclic Aromatic Hydrocarbons with SPICA

    NASA Astrophysics Data System (ADS)

    Berné, O.; Joblin, C.; Mulas, G.; Tielens, A. G. G. M.; Goicoechea, J. R.

    2009-12-01

    Thanks to high sensitivity, high angular resolution and broad spectral coverage, SPICA will offer a unique opportunity to better characterize the nature of polycyclic aromatic hydrocarbons (PAHs) and very small grains (VSGs), to better use them as probes of astrophysical environments. The angular resolution will enable to probe the chemical frontiers in the evolution process from VSGs to neutral PAHs, to ionized PAHs and to "Grand-PAHs" in photodissotiation regions and HII regions, as a function of G0 /n (UV radiation field / density). High sensitivity will favor the detection of the far-IR skeletal emission bands of PAHs, which provide specific fingerprints and could lead to the identification of individual PAHs. This overall characterization will allow to use PAH and VSG populations as tracers of physical conditions in spatially resolved protoplanetary disks and nearby galaxies (using mid-IR instruments), and in high redshift galaxies (using the far-IR instrument), thanks to the broad spectral coverage SPICA provides. Based on our previous experience with ISO and Spitzer we discuss how these goals can be reached.

  16. Dihydrodiol dehydrogenase and polycyclic aromatic hydrocarbon metabolism

    SciTech Connect

    Smithgall, T.E.

    1986-01-01

    Carcinogenic activation of polycyclic aromatic hydrocarbons by microsomal monoxygenases proceeds through trans-dihydrodiol metabolites to diol-epoxide ultimate carcinogens. This thesis directly investigated the role of dihydrodiol dehydrogenase, a cytosolic NAD(P)-linked oxidoreductase, in the detoxification of polycyclic aromatic trans-dihydrodiols. A wide variety of non-K-region trans-dihydrodiols were synthesized and shown to be substrates for the homogeneous rat liver dehydrogenase, including several potent proximate carcinogens derived from 7,12-dimethylbenz(a)anthracene, 5-methylchrysene, and benzo(a)pyrene. Since microsomal activation of polycyclic aromatic hydrocarbons is highly stereospecific, the stereochemical course of enzymatic trans-dihydrodiol oxidation was monitored using circular dichroism spectropolarimetry. The major product formed from the dehydrogenase-catalyzed oxidation of the trans-1,2-dihydrodiol of naphthalene was characterized using UV, IR, NMR, and mass spectroscopy, and appears to be 4-hydroxy-1,2-naphthoquinone. Mass spectral analysis suggests that an analogous hydroxylated o-quinone is formed as the major product of benzo(a)pyrene-7,8-dihydrodiol oxidation. Enzymatic oxidation of trans-dihydrodiols was shown to be potently inhibited by all of the major classes of the nonsteroidal antiinflammatory drugs. Enhancement of trans-dihydrodiol proximate carcinogen oxidation may protect against possible adverse effects of the aspirin-like drugs, and help maintain the balance between activation and detoxification of polycyclic aromatic hydrocarbons.

  17. Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies

    PubMed Central

    VanVeller, Brett; Schipper, Derek J.; Swager, Timothy M.

    2012-01-01

    The cyclization and planarization of polycyclic aromatic hydrocarbons with concomitant oxygen substitution was achieved through acid catalyzed transetherification and oxygen-radical reactions. The triptycene scaffold enforces proximity of the alcohol and arene reacting partners and confers significant rigidity to the resulting π system, expanding the tool set of iptycenes for materials applications. PMID:22510100

  18. Monitoring of vapor phase polycyclic aromatic hydrocarbons

    DOEpatents

    Vo-Dinh, Tuan; Hajaligol, Mohammad R.

    2004-06-01

    An apparatus for monitoring vapor phase polycyclic aromatic hydrocarbons in a high-temperature environment has an excitation source producing electromagnetic radiation, an optical path having an optical probe optically communicating the electromagnetic radiation received at a proximal end to a distal end, a spectrometer or polychromator, a detector, and a positioner coupled to the first optical path. The positioner can slidably move the distal end of the optical probe to maintain the distal end position with respect to an area of a material undergoing combustion. The emitted wavelength can be directed to a detector in a single optical probe 180.degree. backscattered configuration, in a dual optical probe 180.degree. backscattered configuration or in a dual optical probe 90.degree. side scattered configuration. The apparatus can be used to monitor an emitted wavelength of energy from a polycyclic aromatic hydrocarbon as it fluoresces in a high temperature environment.

  19. Determination of oxygenated and native polycyclic aromatic hydrocarbons in urban dust and diesel particulate matter standard reference materials using pressurized liquid extraction and LC-GC/MS.

    PubMed

    Ahmed, Trifa M; Bergvall, Christoffer; Åberg, Magnus; Westerholm, Roger

    2015-01-01

    The objective of this study was to develop a novel analytical chemistry method, comprised of a coupled high-performance liquid chromatography-gas chromatography/mass spectrometry system (LC-GC/MS) with low detection limits and high selectivity, for the identification and determination of oxygenated polycyclic aromatic hydrocarbons (OPAHs) and polycyclic aromatic hydrocarbons (PAHs) in urban air and diesel particulate matter. The linear range of the four OPAHs, which include 9,10-anthraquinone, 4H-cyclopenta[def]phenanthrene-4-one, benzanthrone, and 7,12-benz[a]anthraquinone, was 0.7 pg-43.3 ng with limits of detection (LODs) and limits of quantification (LOQs) on the order of 0.2-0.8 and 0.7-1.3 pg, respectively. The LODs in this study are generally lower than values reported in the literature, which can be explained by using large-volume injection. The recoveries of the OPAHs spiked onto glass fiber filters using two different pressurized liquid extraction (PLE) methods were in the ranges of 84-107 and 67-110 %, respectively. The analytical protocols were validated using the following National Institute of Standards and Technology standard reference materials: SRM 1649a (Urban Dust), SRM 1650b (Diesel Particulate Matter), and SRM 2975 (Diesel Particulate Matter, Industrial Forklift). The measured mass fractions of the OPAHs in the standard reference materials (SRMs) in this present study are higher than the values from the literature, except for benzanthrone in SRM 1649a (Urban Dust). In addition to the OPAHs, 44 PAHs could be detected and quantified from the same particulate extract used in this protocol. Using data from the literature and applying a two-sided t test at the 5 % level using Bonferroni correction, significant differences were found between the tested PLE methods for individual PAHs. However, the measured mass fractions of the PAHs were comparable, similar to, or higher than those previously reported in the literature.

  20. Characterization and analysis of polycyclic aromatic hydrocarbons

    SciTech Connect

    Breuer, G.M.; Smith, J.P.

    1984-01-01

    Sampling and analytical procedures were developed for determining the concentrations of polycyclic aromatic hydrocarbons in animal-exposure chambers during studies on exposure to diesel exhaust, coal dust, or mixtures of these two pollutants. Fluoranthene, pyrene, benzo(a)anthracene, chrysene, benzo(e)pyrene, benzo(k)fluoranthene, and benzo(a)pyrene were used as representative polycyclic aromatic hydrocarbons. High-pressure liquid chromatography with fluorescence detection was used for analysis. Coal-dust only samples revealed a broad, rising background in the chromatogram with small peaks superimposed corresponding to fluoranthene, pyrene, and benzo(a)anthracene, diesel exhaust only samples showed many peaks on a flat baseline including those corresponding to fluoranthene, pyrene, benzo(a)anthracene, benzo(k)fluoranthene, and benzo(a)pyrene. In general, no polynuclear aromatics were noted in the clean air samples. The authors note that relatively minor changes in air/fuel ratio, lubricant, fuel, and load may have substantial effects on very minor components of the exhaust emission.

  1. Cyclophanes containing large polycyclic aromatic hydrocarbons.

    PubMed

    Ghasemabadi, Parisa Ghods; Yao, Tieguang; Bodwell, Graham J

    2015-09-21

    Cyclophanes have been firmly entrenched as a distinct class of compounds for well over half a century. The two main factors that have kept this field of chemistry going so strongly for such a long time are tremendous structural diversity and the interesting behaviour that is often observed. Although a very large number cyclophanes has been reported, only a very small proportion of them contain polycyclic aromatic systems that can be thought of as "large", i.e. with ≥4 rings. This Review puts the spotlight on such cyclophanes, illuminating both the chemistry that was used to synthesize them and what was learned from studying them. Context for the main body is provided by the careful consideration of the anatomy of a cyclophane and the classification of general synthetic approaches. The subsequent sections cover eleven different PAHs and are organized primarily according to increasing size of the aromatic system, starting with pyrene (C16, the only large polycyclic aromatic system to have been incorporated into numerous cyclophanes) and ending with hexabenzo[bc,ef,hi,kl,no,qr]coronene (C42).

  2. Overview of Polycyclic Aromatic Compounds (PAC).

    PubMed

    Achten, Christine; Andersson, Jan T

    2015-03-15

    The chemical group of polycyclic aromatic compounds (PAC), including the better-known subgroup of polycyclic aromatic hydrocarbons (PAH) and the heterocyclic aromatic compounds (NSO-PAC, heterocycles), comprise several thousand individual compounds. It is hard to find a comprehensive overview in the literature of these PACs that includes a substantial amount of relevant properties. Here an attempt is made to summarize the most studied but also some less well-known PACs. In addition to basic data such as recommended names, abbreviations, CAS numbers, molecular formulas, chemical structures, and exact mono-isotopic molecular weights, physico-chemical properties taken from the literature like boiling points, vapor pressures, water solubilities, Henry's Law constants, n-octanol-water partition coefficients (log KOW), and pKa are summarized. Selected toxicological data are listed indicating carcinogenic and mutagenic activity or effects on different organisms. PAC nomenclature is a complex topic, so suggestions for practical use are made. Regarding available data, estimated (instead of measured) values should be used with caution because considerable deviations from experimentally determined values can occur. For an enhanced understanding of the behavior of single PACs in comparison with each other, some of the properties mentioned above are plotted vs. the number of rings or the degree of alkylation. Also, some physico-chemical data are correlated with different functional groups as substituents of the PAHs. This article reveals that rather little is known about the less common PACs, e.g., higher molecular weight compounds, alkylated or otherwise substituted aromatics, for instance, keto-, oxo-, amino-, nitro-, cyano-PAHs, or some heterocyclic aromatic compounds, including their derivatives. It mirrors the limited state of knowledge about the variety of PACs that do not belong to the 16 EPA PAHs.

  3. Overview of Polycyclic Aromatic Compounds (PAC)

    PubMed Central

    Achten, Christine; Andersson, Jan T.

    2015-01-01

    The chemical group of polycyclic aromatic compounds (PAC), including the better-known subgroup of polycyclic aromatic hydrocarbons (PAH) and the heterocyclic aromatic compounds (NSO-PAC, heterocycles), comprise several thousand individual compounds. It is hard to find a comprehensive overview in the literature of these PACs that includes a substantial amount of relevant properties. Here an attempt is made to summarize the most studied but also some less well-known PACs. In addition to basic data such as recommended names, abbreviations, CAS numbers, molecular formulas, chemical structures, and exact mono-isotopic molecular weights, physico-chemical properties taken from the literature like boiling points, vapor pressures, water solubilities, Henry's Law constants, n-octanol-water partition coefficients (log KOW), and pKa are summarized. Selected toxicological data are listed indicating carcinogenic and mutagenic activity or effects on different organisms. PAC nomenclature is a complex topic, so suggestions for practical use are made. Regarding available data, estimated (instead of measured) values should be used with caution because considerable deviations from experimentally determined values can occur. For an enhanced understanding of the behavior of single PACs in comparison with each other, some of the properties mentioned above are plotted vs. the number of rings or the degree of alkylation. Also, some physico-chemical data are correlated with different functional groups as substituents of the PAHs. This article reveals that rather little is known about the less common PACs, e.g., higher molecular weight compounds, alkylated or otherwise substituted aromatics, for instance, keto-, oxo-, amino-, nitro-, cyano-PAHs, or some heterocyclic aromatic compounds, including their derivatives. It mirrors the limited state of knowledge about the variety of PACs that do not belong to the 16 EPA PAHs. PMID:26823644

  4. Petroleum and individual polycyclic aromatic hydrocarbons

    USGS Publications Warehouse

    Albers, Peter H.; Hoffman, David J.; Rattner, Barnett A.; Burton, G. Allen; Cairns, John

    1995-01-01

    Crude petroleum, refined-petroleum products, and individual polycyclic aromatic hydrocarbons (PAHs) contained within petroleum are found throughout the world. their presence has been detected in living and nonliving components of ecosystems. Petroleum can be an environmental hazard for wild animals and plants. Individual PAHs are also hazardous to wildlife, but they are most commonly associated with human illnesses. Because petroleum is a major environmental source of these PAHs, petroleum and PAHs are jointly presented in this chapter. Composition, sources, environmental fate, and toxic effects on all living components of aquatic and terrestrial environments are addessed.

  5. Bioremediation technologies for polycyclic aromatic hydrocarbon compounds

    SciTech Connect

    Alleman, B.C.; Leeson, A.

    1999-11-01

    Polycyclic aromatic hydrocarbon compounds (PAHs) are common and challenging contaminants that affect soil and sediments. Methods for treating PAHs have undergone change and refinement in the recent past, and this volume presents the latest trends in PAH remediation theory and practice. The papers in this volume cover topics ranging from the remediation of manufactured gas plant (MGP) sites to the remediation of sediments. The papers present lab and field studies, characterization studies, comparison studies, and descriptions of technologies ranging from composting to thermally enhanced bioremediation to fungal technologies and other innovative approaches.

  6. Polycyclic aromatic hydrocarbons (PAHs) in yogurt samples.

    PubMed

    Battisti, Chiara; Girelli, Anna Maria; Tarola, Anna Maria

    2015-01-01

    The concentrations and distributions of major polycyclic aromatic hydrocarbons (PAHs) were determined in 20 kinds of yogurt specimens collected from Italian supermarkets using reversed phase high-performance liquid chromatography equipped with fluorescence detection. The method was validated by determination of recovery percentages, precision (repeatability) and sensitivity (limits of detection) with yogurt samples fortified at 0.25, 0.5 and 1 µg/kg concentration levels. The recovery of 13 PAHs, with the exception of naphthalene and acenaphthene, ranged from 61% to 130% and from 60% to 97% at all the levels for yogurts with low (0.1%) and high (3.9%) fat content, respectively. The method is repeatable with relative standard deviation values <20% for all analytes. The results obtained demonstrate that acenaphthene, fluorantene, phenanthrene, anthracene, fluoranthene and pyrene were found in all samples with a similar distribution, but different content when yogurts with low and high fats were compared.

  7. Interstellar Polycyclic Aromatic Compounds and Astrophysics

    NASA Technical Reports Server (NTRS)

    Hudgins, Douglas M.; DeVincenzi, Donald (Technical Monitor)

    2001-01-01

    Over the past fifteen years, thanks to significant, parallel advancements in observational, experimental, and theoretical techniques, tremendous strides have been made in our understanding of the role polycyclic aromatic compounds (PAC) in the interstellar medium (ISM). Twenty years ago, the notion of an abundant population of large, carbon rich molecules in the ISM was considered preposterous. Today, the unmistakable spectroscopic signatures of PAC - shockingly large molecules by previous interstellar chemistry standards - are recognized throughout the Universe. In this paper, we will examine the interstellar PAC model and its importance to astrophysics, including: (1) the evidence which led to inception of the model; (2) the ensuing laboratory and theoretical studies of the fundamental spectroscopic properties of PAC by which the model has been refined and extended; and (3) a few examples of how the model is being exploited to derive insight into the nature of the interstellar PAC population.

  8. Polycyclic aromatic hydrocarbons and cancer in man

    SciTech Connect

    Mastrangelo, G.; Marzia, V.; Fadda, E.

    1996-11-01

    Various substances and industrial processes, surrogates of exposure to polycyclic aromatic hydrocarbons (PAHs), are currently classified as human carcinogens. This paper reviews recent epidemiological studies reporting direct evidence of the carcinogenic effects of PAHs in occupationally exposed subjects. Risks of lung and bladder cancer were dose dependent when PAHs were measured quantitatively and truly nonexposed groups were chosen for comparison. These new findings suggest that the current threshold limit value of 0.2 mg/m{sup 3} of benzene soluble matter (which indicates PAH exposure) is unacceptable because, after 40 years of exposure, it involves a relative risk of 1.2-1.4 for lung cancer and 2.2 for bladder cancer. 33 refs., 2 tabs.

  9. Polycyclic Aromatic Hydrocarbons (by Ronald G. Harvey)

    NASA Astrophysics Data System (ADS)

    Murray, C. F.

    1998-11-01

    Ronald G. Harvey. Wiley, VCH: New York, 1997. 667 pp. ISBN 0-471-18608-2. $125. This text is a timely and welcome addition to the ever-growing literature on polycyclic aromatic hydrocarbon (PAH) chemistry and an essential addition to the chemist's library. It is the most comprehensive and complete account of the synthesis and chemical properties of polyarenes to date. The author has brought together, in one volume, detailed information on the physical and spectral properties, synthetic methods, chemical reactions, and molecular structures of a broad range of polyarenes, both alternant and nonalternant, and their substituted derivatives. (A total of 358 ring structures are covered, 233 of which are nonalternant PAH compounds.) The author does not deal with the environmental, medical, and biological aspects of polyarenes; thus, it may prove a disappointment to the environmental chemist.

  10. Interstellar Polycyclic Aromatic Compounds and Astrophysics

    NASA Technical Reports Server (NTRS)

    Hudgins, Douglas M.; DeVincenzi, Donald (Technical Monitor)

    2001-01-01

    Over the past fifteen years, thanks to significant, parallel advancements in observational, experimental, and theoretical techniques, tremendous strides have been made in our understanding of the role polycyclic aromatic compounds (PAC) in the interstellar medium (ISM). Twenty years ago, the notion of an abundant population of large, carbon rich molecules in the ISM was considered preposterous. Today, the unmistakable spectroscopic signatures of PAC - shockingly large molecules by previous interstellar chemistry standards - are recognized throughout the Universe. In this paper, we will examine the interstellar PAC model and its importance to astrophysics, including: (1) the evidence which led to inception of the model; (2) the ensuing laboratory and theoretical studies of the fundamental spectroscopic properties of PAC by which the model has been refined and extended; and (3) a few examples of how the model is being exploited to derive insight into the nature of the interstellar PAC population.

  11. Interstellar Polycyclic Aromatic Compounds and Astrophysics

    NASA Technical Reports Server (NTRS)

    Hodgins, Douglas M.; DeVincenzi, Donald (Technical Monitor)

    1999-01-01

    Polycyclic aromatic compounds (PACs), a class of organic molecules whose structures are characterized by the presence of two or more fused aromatic rings, have been the subject of astrophysical interest for nearly two decades. Large by interstellar standards (from as few as 20 to perhaps as many as several hundred atoms), it has been suggested that these species are among the most abundant interstellar molecules impacting a wide range of astrophysical phenomena including: the ubiquitous family of infrared emission bands observed in an ever-increasing assortment of astronomical objects; the subtle but rich array of discrete visible/near-infrared interstellar molecular absorption features known as the diffuse interstellar bands (DIBs); the broad near-infrared quasi-continuum observed in a number of nebulae known as excess red emission (ERE); the interstellar ultraviolet extinction curve and broad '2200 Angstrom bump'; the heating/cooling mechanisms of interstellar clouds. Nevertheless, until recently a lack of good-quality laboratory spectroscopic data on PACs under astrophysically relevant conditions (i.e. isolated, ionized molecules; ionized molecular clusters, etc.) has hindered critical evaluation and extension of this model

  12. Polycyclic Aromatic Hydrocarbons in Mussels from a South American Estuary.

    PubMed

    Oliva, Ana L; Arias, Andrés H; Quintas, Pamela Y; Buzzi, Natalia S; Marcovecchio, Jorge E

    2017-03-18

    Bivalves, especially mussels, have been pointed as putative species to monitor polycyclic aromatic hydrocarbons (PAHs) in marine environment. After several environmental PAHs baseline reports, the present study was conducted to assess for the first time the levels of PAHs in native mussels (Brachidontes rodriguezii) collected from a critical industrialized estuary of Argentina. Under this objective, after an 18-month sampling period, 34 pools of mussels were assessed for 17 PAHs, including the 16 compounds prioritized by United States Environmental Protection Agency. By means of gas chromatography-mass spectrometry analysis, results showed total PAHs concentrations in mussel's tissue ranged from under laboratory detection limits to 482.4 ng/g dry weight. Mussel body burdens were dominated by lower molecular weight PAHs, such as phenanthrene, naphthalene, and pyrene, whereas the overall PAHs profile suggested the predominance of petrogenic sources. Finally, the potential ecotoxicological impact was evaluated by applying Environmental Assessment Criteria and benzo[a]pyrene toxic equivalent factors.

  13. PHOTOTOXICITY OF POLYCYCLIC AROMATIC HYDROCARBONS IN COASTAL GREAT LAKES WATERS

    EPA Science Inventory

    Photoinduced toxicity is the exacerbated toxicity of environmental contaminants by UV radiation. Photoinduced toxicity of polycyclic aromatic hydrocarbons (PAHs) has been well established in the laboratory for numerous aquatic species including larval fish. The contaminants sub-p...

  14. POLYCYCLIC AROMATIC HYDROCARBON (PAH) EXPOSURE OF 257 PRESCHOOL CHILDREN

    EPA Science Inventory

    We investigated the polycyclic aromatic hydrocarbon (PAH) exposure of 257 preschool children and their adult caregivers in their everyday environments. Participants were recruited randomly from eligible homes and daycare centers within six North Carolina (NC) and six Ohio (OH) c...

  15. ADSORPTION OF POLYCYCLIC AROMATIC HYDROCARBONS IN AGED HARBOR SEDIMENTS

    EPA Science Inventory

    Polycyclic aromatic hydrocarbons (PAHs) are a group of hydrophobic organic contaminants which have low aqueous solubilities and are common pollutants in harbor sediments. Adsorption and desorption isotherms for PAHs are conducted to study the abiotic sorption of PAHs in uncontami...

  16. PHOTOTOXICITY OF POLYCYCLIC AROMATIC HYDROCARBONS IN COASTAL GREAT LAKES WATERS

    EPA Science Inventory

    Photoinduced toxicity is the exacerbated toxicity of environmental contaminants by UV radiation. Photoinduced toxicity of polycyclic aromatic hydrocarbons (PAHs) has been well established in the laboratory for numerous aquatic species including larval fish. The contaminants sub-p...

  17. ADSORPTION OF POLYCYCLIC AROMATIC HYDROCARBONS IN AGED HARBOR SEDIMENTS

    EPA Science Inventory

    Polycyclic aromatic hydrocarbons (PAHs) are a group of hydrophobic organic contaminants which have low aqueous solubilities and are common pollutants in harbor sediments. Adsorption and desorption isotherms for PAHs are conducted to study the abiotic sorption of PAHs in uncontami...

  18. Capillary electrochromatography. Analysis of polycyclic aromatic hydrocarbons

    SciTech Connect

    Yan, C.; Dadoo, R.; Zhao, H.; Zare, R.N.; Rakestraw, D.J.

    1995-07-01

    Electrochromatography is utilized to separate a mixture of 16 different polycyclic aromatic hydrocarbons (PAHs). Fused-silica capillary columns ranging in size from 50 to 150 {mu}m i.d. were packed (20-40-cm sections) with 3-{mu}m octadecylsilica particles. A potential of 15-30 kV is applied across the 30-50-cm total length capillary column to generate electroosmotic flow that carries the PAHs through the stationary phase. An intracavity-doubled argon ion laser operating at 257 nm is used to detect the PAHs by laser-induced fluorescence. Efficiencies up to 400 000 theoretical plates/m are obtained when detection is performed within the column packing and up to 150 000 theoretical plates/m when detection is performed following a frit (used to hold the packing). The reproducibility of the peak retention times is better than 2% (RSD). The limits of detection for individual PAHs range between 10{sup -17} and 10{sup -20} mol (10{sup -9}-10{sup -11} M), with a linear response spanning 4 orders of magnitude in concentration. 12 refs., 4 figs., 2 tabs.

  19. Polycyclic aromatic hydrocarbon molecules in astrophysics

    NASA Astrophysics Data System (ADS)

    Rastogi, Shantanu; Pathak, Amit; Maurya, Anju

    2013-06-01

    Polycyclic aromatic hydrocarbon (PAH) molecules are responsible for the mid-infrared emission features. Their ubiquitous presence in almost all types of astrophysical environments and related variations in their spectral profilesmake them an important tool to understand the physics and chemistry of the interstellar medium. The observed spectrum is generally a composite superposition of all different types of PAHs possible in the region. In the era of space telescopes the spectral richness of the emission features has enhanced their importance as probe and also the need to understand the variations with respect to PAH size, type and ionic state. Quantum computational studies of PAHs have proved useful in elucidating the profile variations and put constraints on the possible types of PAHs in different environments. The study of PAHs has also significantly contributed to the problems of diffuse interstellar bands (DIBs), UV extinction and understanding the chemistry of the formation of complex organics in space. The review highlights the results of various computational models for the understanding of infrared emission features, the PAH-DIB relation, formation of prebiotics and possible impact in the understanding of far-infrared features.

  20. Polycyclic Aromatic Hydrocarbons in Fine Particulate Matter ...

    EPA Pesticide Factsheets

    This study measured polycyclic aromatic hydrocarbon (PAH) composition in particulate matter emissions from residential cookstoves. A variety of fuel and cookstove combinations were examined, including: (i) liquid petroleum gas (LPG), (ii) kerosene in a wick stove, (iii) wood (10% and 30% moisture content on a wet basis) in a forced-draft fan stove, and (iv) wood in a natural-draft rocket cookstove. LPG combustion had the highest thermal efficiency (~57%) and the lowest PAH emissions per unit fuel energy, resulting in the lowest PAH emissions per useful energy delivered (MJd). The average benzo[a]pyrene (B[a]P) emission factor for LPG was 0.842 µg/MJd; the emission rate was 0.043 µg/min. The highest PAH emissions were from wood burning in the natural-draft stove (209-700 µg B[a]P/MJd). PAH emissions from kerosene were significantly lower than those from the wood burning in the natural-draft cookstove, but higher than those from LPG. It is expected that in rural regions where LPG and kerosene are unavailable or unaffordable, the forced-draft fan stove may be an alternative because its emission factor (5.17-8.07 µg B[a]P/MJd) and emission rate (0.52-0.57 µg/min) are similar to kerosene (5.36 µg B[a]P/MJd and 0.45 µg/min). Compared with wood combustion emissions, LPG stoves emit less total PAH emissions and less fractions of high molecular weight PAHs. Relatively large variations in PAH emissions from LPG call for additional future tests to identify the major

  1. From Interstellar Polycyclic Aromatic Hydrocarbons to Astrobiology

    NASA Astrophysics Data System (ADS)

    Hudgins, D.

    Tremendous strides have been made in our understanding of interstellar material over the past twenty years thanks to significant, parallel developments in observational astronomy and laboratory astrophysics. Before this time, the composition of interstellar dust was largely guessed-at, and the existence of large, gas phase, carbon rich molecules in the interstellar medium (ISM) considered impossible. Today, the telltale infrared spectral signature of polycyclic aromatic hydrocarbons (PAHs) and related materials is recognized at all stages of the lifecycle of interstellar matter and it is widely accepted that these species are both abundant and widespread throughout our galaxy and the universe. In the first part of this talk, we will review the spectroscopic evidence that forms the basis for the interstellar PAH model. We will then use this as a basis to explore how this model can be applied to track the chemical evolution of the PAH population as it is produced in the circumstellar outflows of dying stars, cycled through the various phases of the ISM, and finally incorporated into forming pla n e t a r y systems. Nevertheless, despite the fact that PAHs likely represent the single largest molecular reservoir of organic carbon in evolving planetary systems, they are not what would be considered "biogenic" molecules.Consequently, we will conclude by considering the likely chemical modifications that PAHs undergo under conditions that simulate those found in cold, dark interstellar clouds and evolving planetary systems. Special attention will be paid to the potential for transforming this rich repository of pre-biotic organic "ore" into materials of greater Astrobiological significance. For further information on the research activities of the Astrochemistry Laboratory at NASA Ames Research Center, visit our website at http://www.astrochemistry.org.

  2. Polycyclic aromatic hydrocarbon processing by cosmic rays

    NASA Astrophysics Data System (ADS)

    Micelotta, E. R.; Jones, A. P.; Tielens, A. G. G. M.

    2011-02-01

    Context. Cosmic rays are present in almost all phases of the ISM. Polycyclic aromatic hydrocarbons (PAHs) and cosmic rays represent an abundant and ubiquitous component of the interstellar medium. However, the interaction between them has never before been fully investigated. Aims: To study the effects of cosmic ray ion (H, He, CNO and Fe-Co-Ni) and electron bombardment of PAHs in galactic and extragalactic environments. Methods: We calculate the nuclear and electronic interactions for collisions between PAHs and cosmic ray ions and electrons with energies between 5 MeV/nucleon and 10 GeV, above the threshold for carbon atom loss, in normal galaxies, starburst galaxies and cooling flow galaxy clusters. Results: The timescale for PAH destruction by cosmic ray ions depends on the electronic excitation energy E0 and on the amount of energy available for dissociation. Small PAHs are destroyed faster, with He and the CNO group being the more effective projectiles. For electron collisions, the lifetime is independent of the PAH size and varies with the threshold energy T0. Conclusions: Cosmic rays process the PAHs in diffuse clouds, where the destruction due to interstellar shocks is less efficient. In the hot gas filling galactic halos, outflows of starburst galaxies and intra-cluster medium, PAH destruction is dominated by collisions with thermal ions and electrons, but this mechanism is ineffective if the molecules are in denser cloudlets and isolated from the hot gas. Cosmic rays can access the denser clouds and together with X-rays will set the lifetime of those protected PAHs. This limits the use of PAHs as a "dye" for tracing the presence of cold entrained material.

  3. Polycyclic aromatic hydrocarbon emissions from motorcycles

    NASA Astrophysics Data System (ADS)

    Yang, Hsi-Hsien; Hsieh, Lien-Te; Liu, Hsu-Chung; Mi, Hsiao-Hsuan

    Emissions of polycyclic aromatic hydrocarbons (PAHs, 2-7 ring) and regulated air pollutants (CO, HC, NO x, PM) from 2-stroke carburetor (2-Stk/Cb), 4-stroke carburetor (4-Stk/Cb) and 4-stroke fuel injection (4-Stk/FI) motorcycles were investigated by testing these vehicles on a chassis dynamometer. Exhaust samplings were carried out on diluted exhausts in a dilution tunnel connected to a constant volume sampling system. Measurements were performed on a standard driving cycle. The results reveal that low molecular weight PAHs (especially naphthalene) dominated in the exhaust gas. The averages of soluble organic fractions were 86.4%, 46.3% and 48.9% for the 2-Stk/Cb, 4-Stk/Cb and 4-Stk/FI motorcycles, respectively. PAH emissions are greater from cold-start driving than those from hot-start driving cycle for all these three kinds of motorcycles. Total PAH emission factors were 8320, 5990 and 3390 μg km -1 for the in-used 2-Stk/Cb, 4-Stk/Cb and 4-Stk/FI motorcycles, respectively. PAH emission factors were the largest for the 2-Stk/Cb motorcycles. Besides, the 2-Stk/Cb motorcycle had the largest total BaP equivalent emission factor of 10.8 μg km -1, indicating that the emission exhaust from the 2-Stk/Cb motorcycle was most carcinogenic. HC, PM and PAH emissions were the lowest for the 4-Stk/FI motorcycles. The correlation coefficient between CO and total PAH emissions for all the test motorcycles was 0.51, indicating that CO and PAH emissions are not highly correlated.

  4. Distributions of polycyclic aromatic hydrocarbons and alkylated polycyclic aromatic hydrocarbons in Osaka Bay, Japan.

    PubMed

    Miki, Shizuho; Uno, Seiichi; Ito, Kazuki; Koyama, Jiro; Tanaka, Hiroyuki

    2014-08-30

    Contaminations in sediments by polycyclic aromatic hydrocarbons (PAHs) and alkylated PAHs were investigated at 44 sites in Osaka Bay, Japan. Concentrations of total PAHs and alkylated PAHs were in the range 6.40-7800 ng/g dry weights and 13.7-1700 ng/g dry weights, respectively. The PAH concentrations tended to be higher along the shoreline in the vicinities of big ports, industrialized areas, and densely populated regions such as the cities of Osaka and Kobe. The major sources appeared to be pyrogenic or both pyrogenic and petrogenic at most of the sites. PAH concentrations were remarkably high at a site near Kobe, where the concentrations of dibenzo(a,h)anthracene and benzo(g,h,i)perylene exceeded the effects-range-medium concentration and eight PAHs were above the corresponding effects-range-low concentrations. Those PAHs may have been derived from the great fire associated with the large earthquake in 1995.

  5. [Some toxicological aspects of polycyclic aromatic hydrocarbons (PAHs) effects].

    PubMed

    Zasadowski, Arkadiusz; Wysocki, Adam

    2002-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous environmental contaminants. They are found through environment in the air, in the soil, in water, in plants, and also in food. PAHs are formed during pyrolisis and the incomplete combustion of organic materials. PAHs can be man-made or occur naturally. They undergo metabolic activation after entering the mammalian cells to highly toxic reactive metabolite intermediates and can irreversibly damage cellular macromolecules (DNA, proteins, lipids). Polycyclic aromatic hydrocarbons represent a class of toxicological compounds which can create a variety of hazardous effects in vivo, including cytotoxicity, genotoxicity, immunotoxicity, teratogenicity and carcinogenesis described in present paper.

  6. Study of the origin of polycyclic aromatic hydrocarbons in water of Lake Baikal

    NASA Astrophysics Data System (ADS)

    Semenova, M. Yu.; Snytko, V. A.; Marinaite, I. I.

    2017-06-01

    The concentration of polycyclic aromatic hydrocarbons in the water of Lake Baikal is estimated. The published data on the composition of polycyclic aromatic hydrocarbons in industrial and communal emissions and in crude oils are analyzed. Anthropogenic sources of lake water contamination are revealed. It is concluded that polycyclic aromatic hydrocarbons enter the lake as a result of natural oil release.

  7. Closed-Shell Polycyclic Aromatic Hydrocarbon Cations: A New Category of Interstellar Polycyclic Aromatic Hydrocarbons

    NASA Technical Reports Server (NTRS)

    Hudgins, Douglas M.; Bauschlicher, Charles W., Jr.; Allamandola, Louis J.; DeVincenzi, Donald (Technical Monitor)

    2001-01-01

    Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of polycyclic aromatic hydrocarbon (PAH) cations that explore both size and electronic structure effects of the infrared spectroscopic properties of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representatives from each of two heretofore unexplored categories of PAH cations: (1) fully benzenoid PAH cations whose carbon skeleton is composed of an odd number of carbon atoms (C(sub odd) PAHs); and (2) protonated PAH cations (HPAH+). Unlike the radical electronic structures of the PAH cations that have been the subject of previous theoretical and experimental work, the species in these two classes have a closed-shell electronic configuration. The calculated spectra of circumcoronene, C54H18 in both neutral and (radical) cationic form are also reported and compared with those of the other species. Overall, the C(sub odd) PAHs spectra are dominated by strong CC stretching modes near 1600 cm(exp -1) and display spectra that are remarkably insensitive to molecular size. The HPAH+ species evince a more complex spectrum consistent with the added contributions of aliphatic modes and their generally lower symmetry. Finally, for both classes of closed-shell cations, the intensity of the aromatic CH stretching modes is found to increase with molecular size far out of proportion with the number of CH groups, approaching a value more typical of neutral PAHs for the largest species studied.

  8. Closed-Shell Polycyclic Aromatic Hydrocarbon Cations: A New Category of Interstellar Polycyclic Aromatic Hydrocarbons

    NASA Technical Reports Server (NTRS)

    Hudgins, Douglas M.; Bauschlicher, Charles W., Jr.; Allamandola, Louis J.; DeVincenzi, Donald (Technical Monitor)

    2001-01-01

    Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of polycyclic aromatic hydrocarbon (PAH) cations that explore both size and electronic structure effects of the infrared spectroscopic properties of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representatives from each of two heretofore unexplored categories of PAH cations: (1) fully benzenoid PAH cations whose carbon skeleton is composed of an odd number of carbon atoms (C(sub odd) PAHs); and (2) protonated PAH cations (HPAH+). Unlike the radical electronic structures of the PAH cations that have been the subject of previous theoretical and experimental work, the species in these two classes have a closed-shell electronic configuration. The calculated spectra of circumcoronene, C54H18 in both neutral and (radical) cationic form are also reported and compared with those of the other species. Overall, the C(sub odd) PAHs spectra are dominated by strong CC stretching modes near 1600 cm(exp -1) and display spectra that are remarkably insensitive to molecular size. The HPAH+ species evince a more complex spectrum consistent with the added contributions of aliphatic modes and their generally lower symmetry. Finally, for both classes of closed-shell cations, the intensity of the aromatic CH stretching modes is found to increase with molecular size far out of proportion with the number of CH groups, approaching a value more typical of neutral PAHs for the largest species studied.

  9. AROMATIC AND POLYCYCLIC AROMATIC HYDROCARBON FORMATION IN A LAMINAR PREMIXED N-BUTANE FLAME. (R825412)

    EPA Science Inventory

    Abstract

    Experimental and detailed chemical kinetic modeling work has been performed to investigate aromatic and polycyclic aromatic hydrocarbon (PAH) formation pathways in a premixed, rich, sooting, n-butane¯oxygen¯argon burner s...

  10. AROMATIC AND POLYCYCLIC AROMATIC HYDROCARBON FORMATION IN A LAMINAR PREMIXED N-BUTANE FLAME. (R825412)

    EPA Science Inventory

    Abstract

    Experimental and detailed chemical kinetic modeling work has been performed to investigate aromatic and polycyclic aromatic hydrocarbon (PAH) formation pathways in a premixed, rich, sooting, n-butane¯oxygen¯argon burner s...

  11. Microbial Degradation of Polycyclic Aromatic Hydrocarbons and Characterization of Bacteria

    NASA Astrophysics Data System (ADS)

    Tikilili, P. V.; Chirwa, E. M. N.

    2010-01-01

    Biodegradation of polycyclic aromatic hydrocarbons was studied. Naphthalene was used as a model compound to represent these compounds. Low initial concentrations of naphthalene in a range of 30-60 mg/L were completely degraded after incubation for 15 hrs by consortia from a landfill soil while consortia from minewater took more that 29 hrs to reach complete degradation.

  12. THE RATES OF POLYCYCLIC AROMATIC HYDROCARBON EMISSIONS FROM INCENSE BURNING

    EPA Science Inventory

    The paper presents the results of experiments performed to determine the amounts of gas- and particle-phase polycyclic aromatic hydrocarbons (PAHS) in incense smoke. Ten brands of incense, 3 of stick, 2 of joss stick, and one each of cone, smudge bundle, rope, powder, and rock, w...

  13. THE RATES OF POLYCYCLIC AROMATIC HYDROCARBON EMISSIONS FROM INCENSE BURNING

    EPA Science Inventory

    The paper presents the results of experiments performed to determine the amounts of gas- and particle-phase polycyclic aromatic hydrocarbons (PAHS) in incense smoke. Ten brands of incense, 3 of stick, 2 of joss stick, and one each of cone, smudge bundle, rope, powder, and rock, w...

  14. METHODOLOGY OF AMBIENT AIR MONITORING FOR POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    In the last decade, several studies of polycyclic aromatic hydrocarbons (PAH) in ambient air in the U.S. specifically investigated (1) the sampling efficiency of two sorbents for PAH in air: XAD-2 and polyurethane foam (PUP); (2) the storage stability of PAH on quartz fiber fil...

  15. METHODOLOGY OF AMBIENT AIR MONITORING FOR POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    In the last decade, several studies of polycyclic aromatic hydrocarbons (PAH) in ambient air in the U.S. specifically investigated (1) the sampling efficiency of two sorbents for PAH in air: XAD-2 and polyurethane foam (PUP); (2) the storage stability of PAH on quartz fiber fil...

  16. Modelling study of electron-beam polycyclic and nitro-polycyclic aromatic hydrocarbons treatment

    NASA Astrophysics Data System (ADS)

    Gerasimov, Gennady

    2007-01-01

    The efficiency of the electron-beam removal of harmful impurities from industrial flue gases was studied as applied to polycyclic and nitro-polycyclic aromatic hydrocarbons. The mathematical model of radiation-induced processes was proposed. The model includes aromatic molecules decomposition in gas-phase reactions, and their liquid-phase conversion in the aerosol droplets produced upon the binary volume condensation of water and sulfuric acid vapors. The presence of active species (atoms and radicals) in radiation zone and their reactions with aliphatic and aromatic hydrocarbons can result in an opposite effect: the formation of aromatic molecules and growth of their structure. Modelling study of such processes allows evaluating the efficiency of this purification technology at various initial conditions. Results of calculations are compared with available experimental data.

  17. Effect of fluorine substitution on the aromaticity of polycyclic hydrocarbons.

    PubMed

    Kaipio, Mikko; Patzschke, Michael; Fliegl, Heike; Pichierri, Fabio; Sundholm, Dage

    2012-10-18

    The effect of fluorine substitution on the aromaticity of polycyclic hydrocarbons (PAH) is investigated. Magnetically induced current densities, current pathways, and current strengths, which can be used to assess molecular aromaticity, are calculated using the gauge-including magnetically induced current method (GIMIC). The degree of aromaticity of the individual rings is compared to those obtained using calculated nucleus-independent chemical shifts at the ring centers (NICS(0) and NICS(0)(zz)). Calculations of explicitly integrated current strengths for selected bonds show that the aromatic character of the investigated polycyclic hydrocarbons is weakened upon fluorination. In contrast, the NICS(0) values for the fluorinated benzenes increase noteworthy upon fluorination, predicting a strong strengthening of the aromatic character of the arene rings. The integrated current strengths also yield explicit current pathways for the studied molecules. The current pathways of the investigated linear polyacenes, pyrene, anthanthrene, coronene, ovalene, and phenanthro-ovalene are not significantly affected by fluorination. NISC(0) and NICS(0)(zz) calculations provide contradictory degrees of aromaticity of the fused individual ring. Obtained NICS values do not correlate with the current strengths circling around the individual rings.

  18. Experimental and modeling investigation of aromatic and polycyclic aromatic hydrocarbon formation in a premixed ethylene flame

    SciTech Connect

    Castaldi, M.J.; Marinov, N.M.; Melius, C.F.

    1996-02-01

    Experimental and detailed chemical kinetic modeling has been performed to investigate aromatic and polyaromatic hydrocarbon formation pathways in a rich, sooting, ethylene-oxygen-argon premixed flame. An atmospheric pressure, laminar flat flame operated at an equivalence ratio of 2.5 was used to acquire experimental data for model validation. Gas composition analysis was conducted by an on-line gas chromatograph/mass spectrometer (GC/MS) technique. Measurements were made in the flame and post-flame zone for a number of low molecular weight species, aliphatics, aromatics and polycyclic aromatic hydrocarbons (PAHs) ranging from two to five-aromatic fused rings. The modeling results show the key reaction sequences leading to aromatic and polycyclic aromatic hydrocarbon growth involve the combination of resonantly stabilized radicals. In particular, propargyl and 1-methylallenyl combination reactions lead to benzene and methyl substituted benzene formation, while polycyclic aromatics are formed from cyclopentadienyl radicals and fused rings that have a shared C{sub 5} side structure. Naphthalene production through the reaction step of cyclopentadienyl self-combination and phenanthrene formation from indenyl and cyclopentadienyl combination were shown to be important in the flame modeling study. The removal of phenyl by O{sub 2} leading to cyclopentadienyl formation is expected to play a pivotal role in the PAH or soot precursor growth process under fuel-rich oxidation conditions.

  19. Diesel particulate matter and polycyclic aromatic hydrocarbons in fire stations.

    PubMed

    Bott, Raymond C; Kirk, Katherine M; Logan, Michael B; Reid, Damien A

    2017-09-01

    Firefighters are known to be exposed to a wide variety of combustion products during operational and training firefighting activities. However, the potential for exposure to diesel exhaust emissions, recently classified as carcinogenic to humans by the International Agency for Research on Cancer, also exists within the fire station environment. In this study, concentrations of diesel particulate matter and polycyclic aromatic hydrocarbons have been measured in the engine bays, duty offices and dormitory areas of eight fire stations in Queensland, Australia. Operation of fire appliances and mechanical equipment during start of shift checks were found to contribute more strongly to overall engine bay diesel particulate matter concentrations than the number of fire appliance departures and returns. Polycyclic aromatic hydrocarbons were found to be transported further into fire station living environments than diesel particulate matter. This study highlights a number of potential strategies for reducing firefighter exposures to components of diesel engine exhaust in the fire station environment.

  20. Phylogenetic comparison of two polycyclic aromatic hydrocarbon-degrading mycobacteria.

    PubMed Central

    Govindaswami, M; Feldhake, D J; Kinkle, B K; Mindell, D P; Loper, J C

    1995-01-01

    Two mycobacterial strains previously isolated from fossil-fuel-contaminated environments and shown to degrade four- and/or five-ring polycyclic aromatic hydrocarbons were further characterized. The two strains, PYR-I and RJGII-135, had similar growth characteristics, colony morphologies, and scotochromogenic pigmentations. DNA amplification fingerprints obtained with total genomic DNA indicated some strain similarities but with several distinctly different bands. Moreover, phylogenetic analysis based upon essentially full-length 16S rRNA gene sequences separates the two strains as distinct species within the fast-growing group of mycobacteria. Although both strains are thermosensitive, strain PYR-I has the bulged U between positions 184 and 193 characteristic of thermotolerant mycobacteria. Both strains are of potential use for reintroduction into and bioremediation of polycyclic aromatic hydrocarbon-contaminated soils. PMID:7574631

  1. Direct photolysis of polycyclic aromatic hydrocarbons in drinking water sources.

    PubMed

    Sanches, S; Leitão, C; Penetra, A; Cardoso, V V; Ferreira, E; Benoliel, M J; Crespo, M T Barreto; Pereira, V J

    2011-09-15

    The widely used low pressure lamps were tested in terms of their efficiency to degrade polycyclic aromatic hydrocarbons listed as priority pollutants by the European Water Framework Directive and the U.S. Environmental Protection Agency, in water matrices with very different compositions (laboratory grade water, groundwater, and surface water). Using a UV fluence of 1500 mJ/cm(2), anthracene and benzo(a)pyrene were efficiently degraded, with much higher percent removals obtained when present in groundwater (83-93%) compared to surface water (36-48%). The removal percentages obtained for fluoranthene were lower and ranged from 13 to 54% in the different water matrices tested. Several parameters that influence the direct photolysis of polycyclic aromatic hydrocarbons were determined and their photolysis by-products were identified by mass spectrometry. The formation of photolysis by-products was found to be highly dependent on the source waters tested.

  2. Phylogenetic comparison of two polycyclic aromatic hydrogen-degrading mycobacteria

    SciTech Connect

    Govindaswami, M.; Loper, J.C.; Feldhake, D.J.

    1995-09-01

    Two mycobacterial strains previously isolated from fossil-fuel-contaminated environments and shown to degrade four- and/or five-ring polycyclic aromatic hydrocarbons were further characterized. The two strains, PYR-I and RJGII-135, had similar growth characteristics, colony morphologies, and scotochromogenic pigmentations. DNA amplification fringerprints obtained with total genomic DNA indicated some strain similarities but with several distinctly different bands. Moreover, phylogenetic analysis based upon essentially full-length 16S rRNA gene sequences separates the two strains as distinct species within the fast-growing group of mycobacteria. Although both strains are thermosensitive, strain PYR-I has the bulged U between positions 184 and 193 characteristic of thermotolerant mycobacteria. Both strains are of potential use for reintroduction into and bioremediation of polycyclic aromatic hydrocarbon-contaminated soils. 26 refs., 4 figs., 1 tab.

  3. Dimerization of polycyclic aromatic hydrocarbons in soot nucleation.

    PubMed

    Zhang, Hong-Bo; You, Xiaoqing; Wang, Hongmiao; Law, Chung K

    2014-02-27

    A possible pathway of soot nucleation, in which localized π electrons play an important role in binding the polycyclic aromatic hydrocarbon (PAH) molecules having multiradical characteristics to form stable polymer molecules through covalent bonds, is studied using density functional and semiempirical methods. Results show that the number of covalent bonds formed in the dimerization of two identical PAHs is determined by the radical character, and the sites to form bonds are related to the aromaticity of individual six-membered ring structure. It is further shown that the binding energy of dimerization increases linearly with the diradical character in the range relevant to soot nucleation.

  4. Sorption characteristics of polycyclic aromatic hydrocarbons in aluminum smelter residues

    SciTech Connect

    Gijs D. Breedveld; Emilien Pelletier; Richard St. Louis; Gerard Cornelissen

    2007-04-01

    High temperature carbon oxidation in primary aluminum smelters results in the release of polycyclic aromatic hydrocarbons (PAH) into the environment. The main source of PAH are the anodes, which are composed of petroleum coke (black carbon, BC) and coal tar pitch. To elucidate the dominant carbonaceous phase controlling the environmental fate of PAH in aluminum smelter residues (coke BC and/or coal tar), the sorptive behavior of PAHs has been determined, using passive samplers and infinite-sink desorption methods. Samples directly from the wet scrubber were studied as well as ones from an adjacent 20-year old storage lagoon and roof dust from the smelter. Carbon-normalized distribution coefficients of native PAHs were 2 orders of magnitude higher than expected based on amorphous organic carbon (AOC)/water partitioning, which is in the same order of magnitude as reported literature values for soots and charcoals. Sorption isotherms of laboratory-spiked deuterated phenanthrene showed strong (about 100 times stronger than AOC) but nonetheless linear sorption in both fresh and aged aluminum smelter residues. The absence of nonlinear behavior typical for adsorption to BC indicates that PAH sorption in aluminum smelter residues is dominated by absorption into the semi-solid coal tar pitch matrix. Desorption experiments using Tenax showed that fresh smelter residues had a relatively large rapidly desorbing fraction of PAH (35-50%), whereas this fraction was strongly reduced (11-16%) in the lagoon and roof dust material. Weathering of the coal tar residue and/or redistribution of PAH between coal tar and BC phases could explain the reduced availability in aged samples. 38 refs., 5 figs., 1 tab.

  5. THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS

    SciTech Connect

    Ricca, Alessandra; Bauschlicher, Charles W. Jr.; Allamandola, Louis J. E-mail: Charles.W.Bauschlicher@nasa.gov

    2013-10-10

    The mid-infrared spectra of neutral homogeneous polycyclic aromatic hydrocarbon (PAH) clusters have been computed using density functional theory including an empirical correction for dispersion. The C-H out-of-plane bending modes are redshifted for all the clusters considered in this work. The magnitude of the redshift and the peak broadening are dependent on PAH size, shape, and on the PAH arrangement in the cluster.

  6. Oxidation of polycyclic aromatic hydrocarbons under sulfate-reducing conditions

    USGS Publications Warehouse

    Coates, J.D.; Anderson, R.T.; Lovley, D.R.

    1996-01-01

    [14C]naphthalene and phenanthrene were oxidized to 14CO2 without a detectable lag under strict anaerobic conditions in sediments from San Diego Bay, San Diego, Calif., that were heavily contaminated with polycyclic aromatic hydrocarbons (PAHs) but not in less contaminated sediments. Sulfate reduction was necessary for PAH oxidation. These results suggest that the self-purification capacity of PAH-contaminated sulfate-reducing environments may be greater than previously recognized.

  7. Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Roux, María Victoria; Temprado, Manuel; Chickos, James S.; Nagano, Yatsuhisa

    2008-12-01

    Experimental thermochemical properties of benzene, toluene, and 63 polycyclic aromatic hydrocarbons, published within the period 1878-2008 (over 350 references), are reported. Available experimental data for the enthalpies of combustion used to calculate enthalpies of formation in the condensed state, combined with sublimation, vaporization, and fusion enthalpies, are critically evaluated. Whenever possible, recommended values for these thermochemical properties and for the enthalpies of formation in the gas state at T =298.15K are provided.

  8. Polycyclic aromatic hydrocarbons in cryogenic peat plateaus of northeastern Europe

    NASA Astrophysics Data System (ADS)

    Pastukhov, A. V.; Kaverin, D. A.; Gabov, D. N.

    2017-07-01

    The qualitative and quantitative composition of 14 polycyclic aromatic hydrocarbons (PAHs) in peat plateaus at the southern boundary of the permafrost zone in northeastern Europe, where degradation of permafrost occurs because of climate warming, has been studied by high-performance liquid chromatography in gradient mode. PAH concentrations vary from 150 to 3700 ng/g with their average content of about 1500 ± 1000 ng/g. The variation of data is primarily due to the large contribution of heavy PAHs.

  9. Microbial degradation of petrochemical waste-polycyclic aromatic hydrocarbons.

    PubMed

    Fulekar, M H

    2017-01-01

    Petrochemical industry is one of the fastest growing industries. This industry has immense importance in the growth of economy and manufacture of large varieties of chemicals. The petrochemical industry is a hazardous group of industry generating hazardous waste containing organic and inorganic compounds. In spite of the present treatment process, the hazardous waste compounds are found untreated to the acceptable level and found discharged at soil-water environment resulting into the persistent organic-inorganic pollutant into the environment. The bioremediation will be the innovative techniques to remove the persistent pollutants in the environment. Petrochemical contaminated site was found to be a rich source of microbial consortium degrading polycyclic aromatic hydrocarbons. Indigenous microbial consortiums were identified and used for bioremediation of polycyclic aromatic hydrocarbons (naphthalene and anthracene) at the concentrations of 250, 500, and 750 ppm. The potential microorganism was also identified for naphthalene and anthracene, and their bioremediation was studied at varying concentrations. The bioremediation with consortium was found to be comparatively more effective than the potential microorganism used for bioremediation of each compound. Pseudomonas aeruginosa a potential organism was identified by 16S rRNA and further studied for the gene responsible for the PAH compounds. Indigenous microorganism as a consortium has been found effective and efficient source for remediation of organic compound-Polycyclic aromatic hydrocarbon and this will also be applicable to remediate the toxic compounds to clean up the environment.

  10. MODELING GALACTIC EXTINCTION WITH DUST AND 'REAL' POLYCYCLIC AROMATIC HYDROCARBONS

    SciTech Connect

    Mulas, Giacomo; Casu, Silvia; Cecchi-Pestellini, Cesare; Zonca, Alberto E-mail: silvia@oa-cagliari.inaf.it E-mail: azonca@oa-cagliari.inaf.it

    2013-07-01

    We investigate the remarkable apparent variety of galactic extinction curves by modeling extinction profiles with core-mantle grains and a collection of single polycyclic aromatic hydrocarbons. Our aim is to translate a synthetic description of dust into physically well-grounded building blocks through the analysis of a statistically relevant sample of different extinction curves. All different flavors of observed extinction curves, ranging from the average galactic extinction curve to virtually 'bumpless' profiles, can be described by the present model. We prove that a mixture of a relatively small number (54 species in 4 charge states each) of polycyclic aromatic hydrocarbons can reproduce the features of the extinction curve in the ultraviolet, dismissing an old objection to the contribution of polycyclic aromatic hydrocarbons to the interstellar extinction curve. Despite the large number of free parameters (at most the 54 Multiplication-Sign 4 column densities of each species in each ionization state included in the molecular ensemble plus the 9 parameters defining the physical properties of classical particles), we can strongly constrain some physically relevant properties such as the total number of C atoms in all species and the mean charge of the mixture. Such properties are found to be largely independent of the adopted dust model whose variation provides effects that are orthogonal to those brought about by the molecular component. Finally, the fitting procedure, together with some physical sense, suggests (but does not require) the presence of an additional component of chemically different very small carbonaceous grains.

  11. Composition, distribution, and characterization of polycyclic aromatic hydrocarbons in soil in Linfen, China

    SciTech Connect

    Fu, S.; Cheng, H.X.; Liu, Y.H.; Xia, X.J.; Xu, X.B.

    2009-02-15

    A total of 10 surface soil samples representing the entire area of Linfen City were collected and analyzed for the presence of 16 polycyclic aromatic hydrocarbons. The total polycyclic aromatic hydrocarbon concentration ranged from 1.1 to 63.7 {mu} g g{sup -1}. Analysis of the sources of contamination revealed that polycyclic aromatic hydrocarbons in the soil were derived from combustion sources. Specifically, the primary source of polycyclic aromatic hydrocarbons was coal combustion, but the samples were also effected to varying degrees by traffic emissions. Furthermore, increased levels of contamination were observed in northeast Linfen due to the distribution of industrial plants.

  12. Chemistry at the interior atoms of polycyclic aromatic hydrocarbons.

    PubMed

    Scott, Lawrence T

    2015-09-21

    For more than 150 years, chemical reactions that make new covalent bonds to polycyclic aromatic hydrocarbons (PAHs) have been confined almost exclusively to substitution and addition reactions on the perimeters of the compounds ("edge chemistry"). The "interior" atoms of PAHs, those belonging to three rings, almost never engage in new σ-bond-forming reactions. A compound with no edges, C60, was the first polycyclic carbon π-system observed to exhibit such reactivity. More recently, smaller subunits of C60, which we call geodesic polyarenes, have also been found to exhibit "fullerene-type chemistry" at their interior carbon atoms. These reactions are all reviewed together here for the first time. The review ends with speculation that σ-bond-forming reactions may also be observed someday even in certain planar, benzenoid PAHs, although no examples have yet been reported.

  13. Polycyclic aromatic hydrocarbons residues in sandstorm depositions in Beijing, China

    SciTech Connect

    Fu, S.; Li, K.; Xia, X.J.; Xu, X.B.

    2009-02-15

    This study was conducted to determine the concentration of 16 polycyclic aromatic hydrocarbons (PAHs) in sandstorm depositions in Beijing, China. The PAH concentrations in 13 samples collected in Beijing ranged from 0.18 to 3.52 {mu} g g{sup -1}. Analysis of the sources of contamination revealed that the PAHs were derived from a coal combustion source, although various effects of traffic emissions were also observed. Furthermore, the PAH levels in Beijing tended to be higher in the southeast. Finally, the Nemerow composite index revealed that the degree of pollution in the sandstorm depositions varied widely among sampling sites.

  14. Extraction Techniques for Polycyclic Aromatic Hydrocarbons in Soils

    PubMed Central

    Lau, E. V.; Gan, S.; Ng, H. K.

    2010-01-01

    This paper aims to provide a review of the analytical extraction techniques for polycyclic aromatic hydrocarbons (PAHs) in soils. The extraction technologies described here include Soxhlet extraction, ultrasonic and mechanical agitation, accelerated solvent extraction, supercritical and subcritical fluid extraction, microwave-assisted extraction, solid phase extraction and microextraction, thermal desorption and flash pyrolysis, as well as fluidised-bed extraction. The influencing factors in the extraction of PAHs from soil such as temperature, type of solvent, soil moisture, and other soil characteristics are also discussed. The paper concludes with a review of the models used to describe the kinetics of PAH desorption from soils during solvent extraction. PMID:20396670

  15. Microwave-assisted extraction of polycyclic aromatic compounds from coal.

    PubMed

    Kerst, M; Andersson, J T

    2001-08-01

    Microwave-assisted extraction (MAE) of polycyclic aromatic compounds (PACs) from coal is shown to give the same pattern of compounds as Soxhlet extraction. MAE requires only 10 mL solvent and 10 min extraction time whereas Soxhlet uses 200 mL and takes 24 h. Although the yields were lower, dichloromethane (DCM) was preferred to pyridine, N-methyl-2-pyrrolidone (NMP), and NMP with CS2 because the pattern of the PACs is shown to be independent of solvent and DCM is a much more convenient solvent to work with.

  16. Polycyclic aromatic hydrocarbons, tobacco smoke, and epigenetic remodeling in asthma

    PubMed Central

    Klingbeil, E. C.; Hew, K. M.; Nygaard, U. C.; Nadeau, K. C.

    2014-01-01

    Environmental determinants including aerosolized pollutants such as polycyclic aromatic hydrocarbons (PAHs) and tobacco smoke have been associated with exacerbation and increased incidence of asthma. The influence of aerosolized pollutants on the development of immune dysfunction in asthmatics has been suggested to be mediated through epigenetic remodeling. Genome accessibility and transcription are regulated primarily through DNA methylation, histone modification, and microRNA transcript silencing. Epigenetic remodeling has been shown in studies to be associated with Th2 polarization and associated cytokine and chemokine regulation in the development of asthma. This review will present evidence for the contribution of the aerosolized pollutants PAH and environmental tobacco smoke to epigenetic remodeling in asthma. PMID:24760221

  17. Temperature dependence of infrared bands produced by polycyclic aromatic hydrocarbons

    NASA Astrophysics Data System (ADS)

    Colangeli, L.; Mennella, V.; Bussoletti, E.

    1992-02-01

    The behavior of IR absorption bands with temperature has been examined systematically in the laboratory for three representative polycyclic aromatic hydrocarbon molecules: coronene, chrysene, and 1-methylcoronene. A careful description of both intensity and profile measured for most of the bands is reported. A tentative interpretation of the observed variations is given in terms of extra-molecular effects produced by the anharmonicity of the vibrational energy levels as a function of temperature. These new laboratory data provide an accurate description of the optical properties for representative molecules often used to account for the so-called unidentified infrared bands emitted by astronomical sources.

  18. Surfactant-mediated Biodegradation of Polycyclic Aromatic Hydrocarbons

    PubMed Central

    Li, Jing-Liang; Chen, Bing-Hung

    2009-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are toxic environmental pollutants that are known or suspected carcinogens or mutagens. Bioremediation has been used as a general way to eliminate them from the contaminated sites or aquifers, but their biodegradation is rather limited due to their low bioavailability because of their sparingly soluble nature. Surfactant-mediated biodegradation is a promising alternative. The presence of surfactants can increase the solubility of PAHs and hence potentially increase their bioavailability. However, inconclusive results have been reported on the effects of surfactant on the biodegradation of PAHs. In this work, surfactant-mediated biodegradation of PAHs is reviewed.

  19. Synthesis of condensed phases containing polycyclic aromatic hydrocarbons fullerenes and nanotubes

    DOEpatents

    Reilly, Peter T. A.

    2004-10-19

    The invention relates to methods for producing polycyclic aromatic hydrocarbons, fullerenes, and nanotubes, comprising: a. heating at least one carbon-containing material to form a condensed phase comprising at least one polycyclic aromatic hydrocarbon; b. collecting at least some of the condensed phase; c. reacting the condensed phase to form fullerenes and/or nanotubes.

  20. The formation of Polycyclic Aromatic Hydrocarbons in evolved circumstellar environments

    NASA Astrophysics Data System (ADS)

    Cherchneff, I.

    2011-03-01

    The formation of Polycyclic Aromatic Hydrocarbons in the circumstellar outflows of evolved stars is reviewed, with an emphasis on carbon stars on the Asymptotic Giant Branch. Evidence for PAHs present in their winds is provided by meteoritic studies and recent observations of the Unidentified Infrared bands. We detail the chemical processes leading to the closure of the first aromatic ring as well as the growth mechanisms leading to amorphous carbon grains. Existing studies on PAH formation in evolved stellar envelopes are reviewed and new results for the modelling of the inner wind of the archetype carbon star IRC+10216 are presented. Benzene, C6H6, forms close to the star, as well as water, H2O, as a result of non-equilibrium chemistry induced by the periodic passage of shocks. The growth process of aromatic rings may thus resemble that active in sooting flames due to the presence of radicals like hydroxyl, OH. Finally, we discuss possible formation processes for PAHs and aromatic compounds in the hydrogen-rich R CrB star, V854 Cen, and their implication for the carriers of the Red Emission and the Diffuse Interstellar Bands.

  1. Stereochemistry of bistricyclic aromatic enes and related polycyclic systems.

    PubMed

    Biedermann, P Ulrich; Agranat, Israel

    2014-01-01

    Bistricyclic aromatic enes (BAEs) and related polycyclic systems are a class of molecular materials that display a rich variety of conformations, dynamic stereochemistry and switchable chirality, color, and spectroscopic properties. This is due to the a subtle interplay of the inherent preference for planarity of aromatic systems and the competing necessity of non-planarity due to intramolecular overcrowding in the fjord regions built into the general molecular structure of BAEs. The conformational, dynamic, and spectroscopic properties may be designed and fine-tuned, e.g., by variation of the bridging groups X and Y, the overcrowding in the fjord regions, extensions of the aromatic system, or other modifications of the general BAE structure, based on the fundamental understanding of the structure-property relationships (SPR). The present review provides an analysis of the conformational spaces and the dynamic stereochemistry of overcrowded bistricyclic aromatic enes applying fundamental symmetry considerations. The symmetry analysis presented here allows deeper insight into the conformations, chirality, and the mechanisms of the dynamic stereochemistry, and will be instrumental in future computational studies.

  2. Consensus sediment quality guidelines for polycyclic aromatic hydrocarbon mixtures

    SciTech Connect

    Swartz, R.C.

    1999-04-01

    Sediment quality guidelines (SQGs) for polycyclic aromatic hydrocarbons (PAHs) have been derived from a variety of laboratory, field, and theoretical foundations. They include the screening level concentration, effects ranges-low and -median, equilibrium partitioning concentrations, apparent effects threshold, {Sigma}PAH model, and threshold and probable effects levels. The resolution of controversial differences among the PAH SQGs lies in an understanding of the effects of mixtures. Polycyclic aromatic hydrocarbons virtually always occur in field-collected sediment as a complex mixture of covarying compounds. When expressed as a mixture concentration, that is, total PAH (TPAH), the guidelines form three clusters that were intended in their original derivations to represent threshold (TEC = 290 {micro}g/g organic carbon [OC]), median (MEC = 1,800 {micro}g/g OC), and extreme (EEC = 10,000 {micro}g/g OC) effects concentrations. The TEC/MEC/EEC consensus guidelines provide a unifying synthesis of other SQGs, reflect causal rather than correlative effects, account for mixtures, and predict sediment toxicity and benthic community perturbations at sites of PAH contamination. The TEC offers the most useful SQG because PAH mixtures are unlikely to cause adverse effects on benthic ecosystems below the TEC.

  3. Thermochemical properties and phase behavior of halogenated polycyclic aromatic hydrocarbons.

    PubMed

    Fu, Jinxia; Suuberg, Eric M

    2012-03-01

    Knowledge of vapor pressure of organic pollutants is essential in predicting their fate and transport in the environment. In the present study, the vapor pressures of 12 halogenated polycyclic aromatic compounds (PACs), 9-chlorofluorene, 2,7-dichlorofluorene, 2-bromofluorene, 9-bromofluorene, 2,7-dibromofluorene, 2-bromoanthracene, 9-chlorophenanthrene, 9-bromophenanthrene, 9,10-dibromophenanthrene, 1-chloropyrene, 7-bromobenz[a]anthracene, and 6,12-dibromochrysene, were measured using the Knudsen effusion method over the temperature range of 301 to 464 K. Enthalpies and entropies of sublimation of these compounds were determined via application of the Clausius-Clapeyron equation. The data were also compared with earlier published literature values to study the influence of halogen substitution on vapor pressure of PACs. As expected, the halogen substitution decreases vapor pressure compared with parent compounds but does not necessarily increase the enthalpy of sublimation. Furthermore, the decrease of vapor pressure also depends on the substitution position and the substituted halogen, and the di-substitution of chlorine and/or bromine decreases the vapor pressure compared with single halogen-substituted polycyclic aromatic hydrocarbons. In addition, the enthalpy of fusion and melting temperature of these 12 PACs were determined using differential scanning calorimetry and melting point analysis.

  4. Atmospheric chlorinated polycyclic aromatic hydrocarbons in East Asia.

    PubMed

    Kakimoto, Kensaku; Nagayoshi, Haruna; Konishi, Yoshimasa; Kajimura, Keiji; Ohura, Takeshi; Hayakawa, Kazuichi; Toriba, Akira

    2014-09-01

    This study estimates atmospheric concentrations of chlorinated polycyclic aromatic hydrocarbons (ClPAHs) and polycyclic aromatic hydrocarbons (PAHs) in East Asia using a Gas Chromatograph with High Resolution Mass Spectrometer (GC-HRMS). ClPAHs are ubiquitously generated from PAHs through substitution, and some ClPAHs show higher aryl hydrocarbon receptor (AhR)-mediated activities than their parent PAHs. Atmospheric particles were collected using a high-volume air sampler equipped with a quartz-fiber filter. We determined the ClPAH concentrations of atmospheric particles collected in Japan (Sapporo, Sagamihara, Kanazawa, and Kitakyushu), Korea (Busan), and China (Beijing). The concentrations of ClPAHs were highest in the winter Beijing sample, where the total mean concentration was approximately 15-70 times higher than in the winter samples from Japan and Korea. The concentrations of Σ19ClPAHs and Σ9PAHs were significantly correlated in the Kanazawa and the Busan samples. This indicates that within those cities ClPAHs and PAHs share the same origin, implying direct chlorination of parent PAHs. Toxic equivalent concentrations (TEQs) of the total ClPAHs and PAHs were lowest in Kanazawa in the summer, reaching 1.18 and 2610fg-TEQm(-3) respectively, and highest in Beijing in the winter, reaching 627 and 4240000fg-TEQm(-3) respectively.

  5. Assessment of polycyclic aromatic hydrocarbons (PAHs) pollution in soil of suburban areas in Tianjin, China.

    PubMed

    Lv, Jungang; Shi, Rongguang; Cai, Yanming; Liu, Yong

    2010-07-01

    Soil contamination with polycyclic aromatic hydrocarbons is an increasing problem and has aroused more and more concern in many countries, including China. In this study, representative soil samples (n = 87) of suburban areas in Tianjin (Xiqing, Dongli, Jinnan, Beichen) were evaluated for 16 polycyclic aromatic hydrocarbons. Surface soil samples were air-dried and sieved. Microwave assisted extraction was used for polycyclic aromatic hydrocarbons preparation prior to analysis with gas chromatography-mass spectrometry. The total concentrations of tested polycyclic aromatic hydrocarbons in Xiqing, Dongli, Jinnan, Beichen ranged in 58.5-2,748.3, 36.1-6,734.7, 58.5-4,502.5, 29.7-852.5 ng/g and the averages of total concentration of polycyclic aromatic hydrocarbons were 600.5, 933.6, 640.8, 257.3 ng/g, respectively. Spatial variation of polycyclic aromatic hydrocarbons in soil was illustrated; Pollution status and comparison to other cities were also investigated. Serious polycyclic aromatic hydrocarbons soil pollution was found in Dongli district, on the contrary, Bap in most sites in Beichen did not exceed relative standards and most sites in Beichen should be classified as non-contaminated soil. Principal component analysis was used to identify the possible sources of different districts. It turned out that coal combustion still was the most important sources in three districts except Beichen. Coking, traffic, cooking, biomass combustion also accounted for polycyclic aromatic hydrocarbons pollution to certain extent in different districts. These data can be further used to assess the health risk associated with soils polluted with polycyclic aromatic hydrocarbons and help local government find proper way to reduce polycyclic aromatic hydrocarbons pollution in soils.

  6. Synthesis and properties of an oligodeoxynucleotide containing a polycyclic aromatic hydrocarbon site specifically bound to the N sup 2 amino group of a 2 prime -deoxyguanosine residue

    SciTech Connect

    Casale, R.; McLaughlin, L.W. )

    1990-06-20

    A 2{prime}-deoxyguanosine derivative has been prepared in which the amino group at the 2-position has been modified via the exocyclic methyl group of the polycyclic aromatic hydrocarbon 9-methylanthracene. The modified nucleoside was converted to its 5{prime}-O-(9-phenylxanthen-9-yl) (pixyl) derivative 4, which was used to prepare the 3{prime}-O-({beta}-cyanoethyl N,N-diisopropylphosphoramidite) 5. This guanosine derivative carrying a covalently bound polycyclic aromatic hydrocarbon was incorporated into oligodeoxynucleotides in order to study the properties of double-stranded DNA containing this potentially carcinogenic lesion located in the minor groove. The presence of the aromatic moiety results in significant destabilization of duplex DNA as determined from thermal melting studies. The fluorescence of the anthracene moiety suggests that the polycyclic aromatic hydrocarbon is not intercalated or significantly stacked with the nucleobases but is more likely nestled within the minor groove of an essentially native although slightly distorted B-DNA helix.

  7. Polycyclic Aromatic Hydrocarbons as Plausible Prebiotic Membrane Components

    NASA Astrophysics Data System (ADS)

    Groen, Joost; Deamer, David W.; Kros, Alexander; Ehrenfreund, Pascale

    2012-08-01

    Aromatic molecules delivered to the young Earth during the heavy bombardment phase in the early history of our solar system were likely to be among the most abundant and stable organic compounds available. The Aromatic World hypothesis suggests that aromatic molecules might function as container elements, energy transduction elements and templating genetic components for early life forms. To investigate the possible role of aromatic molecules as container elements, we incorporated different polycyclic aromatic hydrocarbons (PAH) in the membranes of fatty acid vesicles. The goal was to determine whether PAH could function as a stabilizing agent, similar to the role that cholesterol plays in membranes today. We studied vesicle size distribution, critical vesicle concentration and permeability of the bilayers using C6-C10 fatty acids mixed with amphiphilic PAH derivatives such as 1-hydroxypyrene, 9-anthracene carboxylic acid and 1,4 chrysene quinone. Dynamic Light Scattering (DLS) spectroscopy was used to measure the size distribution of vesicles and incorporation of PAH species was established by phase-contrast and epifluorescence microscopy. We employed conductimetric titration to determine the minimal concentration at which fatty acids could form stable vesicles in the presence of PAHs. We found that oxidized PAH derivatives can be incorporated into decanoic acid (DA) vesicle bilayers in mole ratios up to 1:10 (PAH:DA). Vesicle size distribution and critical vesicle concentration were largely unaffected by PAH incorporation, but 1-hydroxypyrene and 9-anthracene carboxylic acid lowered the permeability of fatty acid bilayers to small solutes up to 4-fold. These data represent the first indication of a cholesterol-like stabilizing effect of oxidized PAH derivatives in a simulated prebiotic membrane.

  8. Polycyclic aromatic hydrocarbons as plausible prebiotic membrane components.

    PubMed

    Groen, Joost; Deamer, David W; Kros, Alexander; Ehrenfreund, Pascale

    2012-08-01

    Aromatic molecules delivered to the young Earth during the heavy bombardment phase in the early history of our solar system were likely to be among the most abundant and stable organic compounds available. The Aromatic World hypothesis suggests that aromatic molecules might function as container elements, energy transduction elements and templating genetic components for early life forms. To investigate the possible role of aromatic molecules as container elements, we incorporated different polycyclic aromatic hydrocarbons (PAH) in the membranes of fatty acid vesicles. The goal was to determine whether PAH could function as a stabilizing agent, similar to the role that cholesterol plays in membranes today. We studied vesicle size distribution, critical vesicle concentration and permeability of the bilayers using C(6)-C(10) fatty acids mixed with amphiphilic PAH derivatives such as 1-hydroxypyrene, 9-anthracene carboxylic acid and 1,4 chrysene quinone. Dynamic Light Scattering (DLS) spectroscopy was used to measure the size distribution of vesicles and incorporation of PAH species was established by phase-contrast and epifluorescence microscopy. We employed conductimetric titration to determine the minimal concentration at which fatty acids could form stable vesicles in the presence of PAHs. We found that oxidized PAH derivatives can be incorporated into decanoic acid (DA) vesicle bilayers in mole ratios up to 1:10 (PAH:DA). Vesicle size distribution and critical vesicle concentration were largely unaffected by PAH incorporation, but 1-hydroxypyrene and 9-anthracene carboxylic acid lowered the permeability of fatty acid bilayers to small solutes up to 4-fold. These data represent the first indication of a cholesterol-like stabilizing effect of oxidized PAH derivatives in a simulated prebiotic membrane.

  9. Thermodiffusion of polycyclic aromatic hydrocarbons in binary mixtures

    NASA Astrophysics Data System (ADS)

    Hashmi, Sara M.; Senthilnathan, Sid; Firoozabadi, Abbas

    2016-11-01

    Thermodiffusion in liquid mixtures may explain some counter-intuitive but naturally occurring phenomena such as hydrocarbon reservoirs with heavier component(s) stratified on top of lighter ones. However, beyond benchmark systems, systematic measurements of thermodiffusion in binary organic mixtures are lacking. We use an optical beam deflection apparatus to simultaneously probe Fickian and thermal diffusion in binary solution mixtures of polycyclic aromatic hydrocarbons dissolved in alkanes, and measure both Fickian diffusion D and the Soret coefficient ST, and then obtain the thermodiffusion coefficient DT. In a series of nine binary mixtures, we vary both the size of the aromatic compound from two to four rings, as well as the length of the alkane chain from 6 to 16 carbons. To probe the effect of increasing ring size, we include a 6-ringed aromatic compound, coronene, and toluene as a solvent, due to the insolubility of coronene in alkanes. Our results suggest that Fickian diffusion increases with the inverse of solvent viscosity and also with decreasing molecular weight of the solute. While both of these trends match our intuition, the behavior of ST and DT is more complicated. We find that ST and DT increase with the solute molecular weight when the solvent is held fixed and that the impact of solute ring size is higher in shorter chain alkane solvents.

  10. Xenoestrogenic gene expression: structural features of active polycyclic aromatic hydrocarbons.

    PubMed

    Schultz, T Wayne; Sinks, Glendon D

    2002-04-01

    Estrogenicity was assessed using the Saccharomyces cerevisiae-based Lac-Z reporter assay and was reported as the logarithm of the inverse of the 50% molar beta-galactosidase activity (log[EC50(-1)]). In an effort to quantify the relationship between molecular structure of polycyclic aromatic hydrocarbons (PAHs) and estrogenic gene expression, a series of PAHs were evaluated. With noted exceptions, the results of these studies indicate that the initial two-dimensional structural warning for estrogenicity, the superpositioning of a hydroxylated aromatic system on the phenolic A-ring of 17-beta-estradiol, can be extended to the PAHs. This two-dimensional-alignment criterion correctly identified estrogenicity of 22 of the 29 PAHs evaluated. Moreover, the estrogenic potency of these compounds was directly related to the size of the hydrophobic backbone. The seven compounds classified incorrectly by this structural feature were either dihydroxylated naphthalenes or aromatic nitrogen-heterocyclic compounds; all such compounds were false positives. Results with dihydroxylated naphthalenes reveal derivatives that were nonestrogenic when superimposed on the phenolic A-ring of 17-beta-estradiol had the second hydroxyl group in the position of the C-ring or were catechol-like in structure. Structural alerts for nitrogen-heterocyclic compounds must take into account the position of the hydroxyl group and the in-ring nitrogen atom; compounds with the hydroxyl group and nitrogen atom involved with the same ring were observed to be nonactive.

  11. Secondary organic aerosol from polycyclic aromatic hydrocarbons in Southeast Texas

    NASA Astrophysics Data System (ADS)

    Zhang, Hongliang; Ying, Qi

    2012-08-01

    Recent chamber studies show that low-volatility gas phase precursors such as polycyclic aromatic hydrocarbons (PAHs) can be a significant source of secondary organic aerosol (SOA). In this work, formation of SOA from the photo-oxidation products of PAHs is added to the SOA modeling framework of the Community Multiscale Air Quality (CMAQ) model to determine the regional distribution of SOA products from PAHs (PAH-SOA) and the contributions from sources in Southeast Texas during the Texas Air Quality Study 2006 (TexAQS 2006). Results show that PAHs released from anthropogenic sources can produce SOA mass as much as 10% of that from the traditional light aromatics or approximately 4% of total anthropogenic SOA. In areas under the influence of wildfire emissions, the amount of PAH-SOA can be as much as 50% of the SOA from light aromatics. A source-oriented modeling framework is adopted to determine the major sources of PAH-SOA by tracking the emitted PAHs and their oxidation products in the gas and aerosol phases from different sources separately. Among the eight sources (vehicles, solvent utilization, residential wood, industries, natural gas combustion, coal combustion, wildfire and other sources) that are tracked in the model, wildfire, vehicles, solvent and industries are the major sources of PAH-SOA. Coal and natural gas combustion appear to be less important in terms of their contributions to PAH-SOA.

  12. Biocatalytic oxidation of polycyclic aromatic hydrocarbons by hemoglobin and hydrogen peroxide.

    PubMed

    Ortiz-Leon, M; Velasco, L; Vazquez-Duhalt, R

    1995-10-24

    Hemoglobin is able to oxidize polycyclic aromatic hydrocarbons, PAH's, in presence of hydrogen peroxide. Among 12 aromatic compounds tested, six were oxidized; anthracene, carbazole, dibenzothiophene, fluorene, 9-hexylanthracene and pyrene. The products were identified as aromatic ketones and sulfoxides. Effect of organic solvent concentration and hemoglobin stability were determined.

  13. Toxicological profile for polycyclic aromatic hydrocarbons. Final report

    SciTech Connect

    Not Available

    1990-12-01

    The ATSDR Toxicological Profile for Polycyclic Aromatic Hydrocarbons (PAHs): Acenaphthene, Acenaphthylene, Anthracene, Benzo(a)anthracene, Benzo(a)pyrene, Benzo(b)fluoranthene, Benzo(g,h,i)perylene, Benzo(k)fluoranthene, Chrysene, Dibenzo(a,h)anthracene, Fluoranthene, Fluorene, Indeno(1,2,3-cd)pyrene, Phenanthrene, Pyrene is intended to characterize succinctly the toxicological and health effects information for the substance. It identifies and reviews the key literature that describes the substance's toxicological properties. Other literature is presented but described in less detail. The profile begins with a public health statement, which describes in nontechnical language the substance's relevant toxicological properties. The adequacy of information to determine the substance's health effects is described. Research gaps in nontoxic and health effects information are described. Research gaps that are of significance to the protection of public health will be identified in a separate effort. The focus of the document is on health and toxicological information.

  14. Determination of polycyclic aromatic hydrocarbons in roasted coffee

    PubMed Central

    JIMENEZ, ANGELICA; ADISA, AFOLABI; WOODHAM, CARA; SALEH, MAHMOUD

    2016-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are suspected to be carcinogenic and mutagenic. This study describes the presence of PAHs in light, medium and dark roasted coffee including instant and decaffeinated brands. Total PAHs concentration was related to the degree of roasting with light roasted coffee showing the least and dark roasted coffee showing the highest level. Both instant and decaffeinated coffee brand showed lower levels of PAHs. Naphthalene, acenaphthylene, pyrene and chrysene were the most abundant individual isomers. The concentrations ranged from 0 to 561 ng g−1 for naphthalene, 0 to 512 ng g−1 for acenaphthylene, 60 to 459 ng g−1 for pyrene and 56 to 371 ng g−1 for chrysene. Thus, roasting conditions should be controlled to avoid the formation of PAHs due to their suspected carcinogenic and mutagenic properties. PMID:25190557

  15. Accumulation of polycyclic aromatic hydrocarbons in acid sensitive lakes

    SciTech Connect

    Furlong, E.T.; Cessar, L.R.; Hites, R.A. )

    1987-11-01

    Polycyclic aromatic hydrocarbon concentrations and fluxes were measured in {sup 210}Pb dated sediment cores taken from nine lakes in four regions identified as susceptible to acidification. Calculated PAH accumulations were compared with historic S emissions, accumulation of sedimentary S, and anthropogenic metal accumulations to determine if PAH could be used as an indicator of combustion-derived sulfate deposition. Comparisons between regions indicated that the Adirondacks have a significantly higher burden of PAH than do northern New England, the northern Great Lakes States, and northern Florida. This difference likely results from significant upwind PAH sources to the Adirondack lakes. Detailed investigation of the largest lake in the study set, Big Moose Lake, indicates that PAH may serve as conservative, combustion indicators in large lakes. In this lake, PAH fluxes and concentrations were significantly correlated with historical S emission rates. These data suggest that PAH measured in sediment cores from large lakes can serve as indicators of past combustion production deposition.

  16. Accumulation of polycyclic aromatic hydrocarbons in acid sensitive lakes

    NASA Astrophysics Data System (ADS)

    Furlong, Edward T.; Cessar, Linda Roll; Hites, Ronald A.

    1987-11-01

    Polycyclic aromatic hydrocarbon concentrations and fluxes were measured in 210Pb dated sediment cores taken from nine lakes in four regions identified as susceptible to acidification. Calculated PAH accumulations were compared with historic S emissions, accumulation of sedimentary S and anthropogenic metal accumulations to determine if PAH could be used as an indicator of combustion-derived sulfate deposition. Comparisons between regions indicated that the Adirondacks have a significantly higher burden of PAH than do northern New England, the northern Great Lakes States and northern Florida. This difference likely results from significant upwind PAH sources to the Adirondack lakes. Detailed investigation of the largest lake in the study set, Big Moose Lake, indicates that PAH may serve as conservative, combustion indicators in large lakes. In this lake, PAH fluxes and concentrations were significantly correlated with historical S emission rates. These data suggest that PAH measured in sediment cores from large lakes can serve as indicators of past combustion product deposition.

  17. Polycyclic Aromatic Hydrocarbons and the Diffuse Interstellar Bands: a Survey

    NASA Technical Reports Server (NTRS)

    Salama, F.; Galazutdinov, G. A.; Krelowski, J.; Allamandola, L. J.; Musaev, F. A.; DeVincenzi, Donald L. (Technical Monitor)

    1999-01-01

    We discuss the proposal relating the origin of some of the diffuse interstellar bands (DIBs) to neutral and ionized polycyclic aromatic hydrocarbons (PAHs) present in interstellar clouds. Laboratory spectra of several PAHs, isolated at low temperature in inert gas matrices, are compared with an extensive set of astronomical spectra of reddened, early type stars. From this comparison, it is concluded that PAN ions are good candidates to explain some of the DIBs. Unambiguous assignments are difficult, however, due to the shift in wavelengths and the band broadening induced in the laboratory spectra by the solid matrix. Definitive band assignments and, ultimately, the test of the of the proposal that PAH ions carry some of the DIB must await the availability of gas-phase measurements in the laboratory. The present assessment offers a guideline for future laboratory experiments by allowing the preselection of promising PAH molecules to be studied in jet expansions.

  18. Determination of polycyclic aromatic hydrocarbons in roasted coffee.

    PubMed

    Jimenez, Angelica; Adisa, Afolabi; Woodham, Cara; Saleh, Mahmoud

    2014-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are suspected to be carcinogenic and mutagenic. This study describes the presence of PAHs in light, medium and dark roasted coffee including instant and decaffeinated brands. Total PAHs concentration was related to the degree of roasting with light roasted coffee showing the least and dark roasted coffee showing the highest level. Both instant and decaffeinated coffee brand showed lower levels of PAHs. Naphthalene, acenaphthylene, pyrene and chrysene were the most abundant individual isomers. The concentrations ranged from 0 to 561 ng g(-1) for naphthalene, 0 to 512 ng g(-1) for acenaphthylene, 60 to 459 ng g(-1) for pyrene and 56 to 371 ng g(-1) for chrysene. Thus, roasting conditions should be controlled to avoid the formation of PAHs due to their suspected carcinogenic and mutagenic properties.

  19. Phototoxicity of polycyclic aromatic hydrocarbons at varying light intensities

    SciTech Connect

    Ankley, G.T.; Phipps, G.L.; Mattson, V.R.; Erickson, R.J.; Kosian, P.A.; Cox, J.S.; Sheedy, B.R.; Mount, D.R.

    1994-12-31

    Conceptual models suggest that the toxicity of photoactivated polycyclic aromatic hydrocarbons (PAHs) should be a function both of chemical (PAH) dose, and intensity of the ultraviolet (UV) light to which the organism is exposed (photon dose). However, there have been no systematic studies with aquatic organisms to quantify the relationship between PAH dose and UV intensity in producing phototoxicity. In these studies, oligochaetes (Lumbriculus variegatus) were exposed, via the water, to multiple concentrations of individual PAHs known to be photoactivated (fluoranthene, pyrene, anthracene), and then placed under UV light of three different intensities. The resultant phototoxicity clearly was a function both of PAH dose and light intensity. A joint toxicity model relating toxicity to PAH concentrations and light intensity will be presented.

  20. Application of biotechnology for the biodegradation of polycyclic aromatic hydrocarbons

    SciTech Connect

    Cerniglia, C.E. )

    1989-01-01

    Polycyclic aromatic hydrocarbons (PAHs) and their alkyl and nitrated analogs are widely distributed in sediments and aquatic environments. Many PAHs have been shown to exhibit a large variety of biological activities. The goal of this research program are: 1. To isolate microorganisms from PAH-contaminated sediments which have the ability to metabolize and detoxify PAHs. 2. To determine the relationship between PAH structure and mineralization rates. 3. To determine whether differences in the physical, chemical and microbial characteristics of ecosystems predictably affect the disposition and persistence of PAHs in the environment. 4. To use multicomponent microcosms containing sediment and waste collected from chemically contaminated sites to determine the rate and extent of degradation of PAHs. Results of these studies in the biodegradation of PAHs will be presented.

  1. Polycyclic aromatic hydrocarbons in solid residues from waste incineration.

    PubMed

    Wheatley, A D; Sadhra, S

    2004-05-01

    Polycyclic aromatic hydrocarbons (PAH) levels in solid residues from clinical waste incineration were measured using HPLC with fluorescence detection. PAH mass emission rates and emission rates as a function of waste burned are also reported. For bottom ash, PAH levels and physical properties were found to be quite consistent. Levels of high molecular mass PAHs were comparable to levels previously reported in the literature when adjusted for differences in sample preparation techniques. However, levels of low molecular mass PAHs were considerably elevated in this study. Possible reasons for this finding include the composition of the waste, combustion conditions and methods of sample preparation. In contrast, no PAHs were found in fly ash, an unexpected finding which is probably attributable to matrix effects resulting from a surfeit of lime in the fly ash. Factors effecting the partitioning of PAHs and their environmental fate are also discussed.

  2. Polycyclic aromatic hydrocarbons - Primitive pigment systems in the prebiotic environment

    NASA Technical Reports Server (NTRS)

    Deamer, D. W.

    1992-01-01

    The chemical evolution of meteoritic organics in the primitive earth is examined experimentally with attention given to the photochemical effects of hydrocarbon/water mixtures. Also addressed are the generation of amphiphilic products by photochemical reactions and the transduction of light energy into potentially useful forms. Polycyclic aromatic hydrocarbons (PAHs) absorb light and exist in carbonaceous chondrites; PAHs are therefore examined as primitive pigments by means of salt solutions with pyrene, fluoranthene, and pyrene derivatives with hexadecane. The hexadecane undergoes photochemical oxidation and yields long-chain amphiphiles with oxygen supplied by water, and acid pH shifts also occur. PAHs are also tested in lipid bilayer membranes to examine light-energy transduction. Protons are found to accumulate within the membrane-bounded volume to form proton gradients, and this reaction is theorized to be a good model of primitive photochemical reactions that related to the transduction of light energy into useable forms.

  3. Polycyclic aromatic hydrocarbons in cereal products on the Turkish market.

    PubMed

    Kacmaz, Sibel

    2016-09-01

    The contamination level of four EU marker polycyclic aromatic hydrocarbons (PAHs) in some cereal-derived products was surveyed in this study. Thirty-eight samples, 20 bread and 18 breakfast cereals, were purchased from retail shops and local markets of East Black sea region in Turkey. The samples were analysed for four EU marker PAHs, using ultrasonic extraction, solid-phase extraction (SPE) clean up and stable-isotope dilution gas chromatography with mass-spectrometric (GC/MS) detection. The method was validated with the parameters linearity, accuracy, precision, limit of detection (LOD), limit of quantitation (LOQ) and uncertainty. Total content of the four PAHs in bread varied from 0.19 to 0.46 µg kg(-1) and in breakfast cereals from 0.10 to 0.87 µg kg(-1).

  4. Polycyclic aromatic hydrocarbons - Primitive pigment systems in the prebiotic environment

    NASA Technical Reports Server (NTRS)

    Deamer, D. W.

    1992-01-01

    The chemical evolution of meteoritic organics in the primitive earth is examined experimentally with attention given to the photochemical effects of hydrocarbon/water mixtures. Also addressed are the generation of amphiphilic products by photochemical reactions and the transduction of light energy into potentially useful forms. Polycyclic aromatic hydrocarbons (PAHs) absorb light and exist in carbonaceous chondrites; PAHs are therefore examined as primitive pigments by means of salt solutions with pyrene, fluoranthene, and pyrene derivatives with hexadecane. The hexadecane undergoes photochemical oxidation and yields long-chain amphiphiles with oxygen supplied by water, and acid pH shifts also occur. PAHs are also tested in lipid bilayer membranes to examine light-energy transduction. Protons are found to accumulate within the membrane-bounded volume to form proton gradients, and this reaction is theorized to be a good model of primitive photochemical reactions that related to the transduction of light energy into useable forms.

  5. Gas and Particulate Sampling of Airborne Polycyclic Aromatic Compounds

    SciTech Connect

    Lane, D.A.; Gundel, L.A.

    1995-10-01

    The denuder surfaces of the gas and particle (GAP) sampler (developed at the Atmospheric Environment Service of Environment Canada) have been modified by coating with XAD-4 resin, using techniques developed at Lawrence Berkeley National Laboratory (LBNL) for the lower capacity integrated organic vapor/particle sampler (IOVPS). The resulting high capacity integrated organic gas and particle sampler (IOGAPS) has been operated in ambient air at 16.7 L min{sup -1} for a 24-hour period in Berkeley, California, USA. Simultaneous measurements were made at the same collection rate with a conventional sampler that used a filter followed by two sorbent beds. Gas and particle partition measurements were determined for 13 polycyclic aromatic hydrocarbons (PAH) ranging from 2-ring to 6-ring species. The IOGAPS indicated a higher particle fraction of these compounds than did the conventional sampler, suggesting that the conventional sampler suffered from 'blow-off' losses from the particles collected on the filter.

  6. Simulated transport of polycyclic aromatic hydrocarbons in artificial streams

    SciTech Connect

    Bartell, S.M.; Landrum, P.F.; Giesy, J.P.; Leversee, G.J.

    1981-01-01

    A model was constructed to predict the pattern of flow and accumulation of three polycyclic aromatic hydrocarbons (PAH) (anthracene, naphthalene, and benzo(a)pyrene) in artificial streams located on the Savannah River Plant near Aiken, South Carolina. Predictions were based upon the premise that the fundamental chemistry of individual PAH contains useful information for predictive purposes. Model processes included volatilization, photolysis, sorption to sediments and particulates, and net accumulation by biota. Simulations of anthracene transport were compared to results of an experiment conducted in the streams. The model realistically predicted the concentration of dissolved anthracene through time and space. Photolytic degradation appeared to be a major pathway of anthracene flux from the streams.

  7. Polycyclic aromatic hydrocarbons' formation and occurrence in processed food.

    PubMed

    Singh, Lochan; Varshney, Jay G; Agarwal, Tripti

    2016-05-15

    Polycyclic aromatic hydrocarbons (PAHs) emerged as an important contaminant group in a gamut of processed food groups like dairy, nuts, herbs, beverages, meat products etc. Different cooking processes and processing techniques like roasting, barbecuing, grilling, smoking, heating, drying, baking, ohmic-infrared cooking etc. contribute towards its formation. The level of PAHs depends on factors like distance from heat source, fuel used, level of processing, cooking durations and methods, whereas processes like reuse, conching, concentration, crushing and storage enhance the amount of PAHs in some food items. This review paper provides insight into the impact of dietary intake of PAHs, its levels and formation mechanism in processed food items and possible interventions for prevention and reduction of the PAHs contamination. The gaps and future prospects have also been assessed.

  8. Accumulation of polycyclic aromatic hydrocarbons (PAHs) in an urban snowpack.

    PubMed

    Boom, A; Marsalek, J

    1988-08-01

    Accumulations of polycyclic aromatic hydrocarbons in a snowpack were studied in an industrial urban area with numerous anthropogenic sources of PAHs. Average PAH loadings stored in the snowpack were determined, plotted on a map of the study area, and arenal distribution approximated by isoloading contours. The loading contours exhibited a marked elongation in the direction of prevailing winds. The unit-area deposition rates observed in the study area exceeded the typical rates reported for other urban areas, and were the highest immediately downwind of a steel plant. PAH levels in snowmelt were well below the freshwater aquatic life toxicity criteria, but exceeded both the WHO drinking water standard and the U.S. EPA carcinogenic criteria at the 10(-5) risk level.

  9. Emission factors for polycyclic aromatic hydrocarbons from biomass burning

    SciTech Connect

    Jenkins, B.M.; Jones, A.D.; Turn, S.Q.; Williams, R.B.

    1996-08-01

    Emission factors for 19 polycyclic aromatic hydrocarbons were measured during wind tunnel simulations of open burning for agricultural and forest biomass fuels including cereal grasses, agricultural tree prunings, and fir and pine wood (slash). Yields of total PAH varied from 5 to 683 mg kg{sup -1} depending principally on burning conditions and to a lesser extent on fuel type. Barley straw and wheat straw loaded at 400-500 g m{sup -2} emitted much higher levels of PAH, including benzo[a]pyrene, than other cereal and wood fuel types burning under more robust conditions. As anticipated, total PAH emission rates increased with increasing particulate matter emission rates and with declining combustion efficiency. 20 refs., 2 figs., 6 tabs.

  10. Transport of Polycyclic Aromatic Hydrocarbons in Unsaturated Porous Media

    NASA Astrophysics Data System (ADS)

    Chahal, Maninder; Flury, Markus

    2016-04-01

    Polycyclic aromatic hydrocarbons (PAHs) are complex organic molecules containing 2 or more fused benzene rings. Being hydrophobic and non-polar, PAHs tend to partition to the organic matter in the soil from bulk aqueous phase. Though transport of these contaminants has been well studied in saturated environment, interactive mechanisms of these fluorescent compounds in unsaturated (identified by presence of air-water interface) porous media is still not well understood. We studied is the transport of fluoranthene in unsaturated porous media as facilitated by moving air-water interfaces. Confocal microscopy was used to visualize the interactions of fluoranthene particles in a glass channel packed with quartz glass beads. The packed glass channel was used to mimic a porous media and effects of an advancing and receding capillary fringe on the detachment of fluoranthene.

  11. Polycyclic aromatic hydrocarbon removal from water by natural fiber sorption.

    PubMed

    Khan, Eakalak; Khaodhir, Sutha; Rotwiron, Paritta

    2007-08-01

    The use of two natural sorbents, kapok and cattail fibers, were investigated for polycyclic aromatic hydrocarbon (PAH) removal from water. Naphthalene, acenaphthylene, acenaphthene, fluorene, phenanthrene, anthracene, and fluoranthene were the PAHs studied. For comparative purposes, a commercial polyester fiber sorbent was included in the investigation. The PAH sorption and retention capabilities of the three fibers were determined through batch and continuous-flow experiments under non-competitive and competitive conditions. In the batch experiments, cattail fiber was the most effective sorbent. Kapok fiber provided the lowest PAH retention, while cattail fiber had slightly less PAH retention than polyester fiber. When two PAHs were present in the same system, a competitive effect on the much less hydrophobic PAH was observed. Similar results were obtained in the column experiments, except that polyester fiber performed much poorer on naphthalene. Cattail fiber is a promising sorbent for treating PAH-contaminated water, such as urban runoff.

  12. Sequential extraction of polycyclic aromatic hydrocarbons using subcritical water.

    PubMed

    Latawiec, Agnieszka E; Reid, Brian J

    2010-02-01

    A rapid sequential subcritical (superheated) water extraction method for polycyclic aromatic hydrocarbons (PAHs) in contaminated soil and sediment is presented. Decreasing the polarity of water by successive increase of the extraction temperature from 50 degrees C to 200 degrees C at the moderate pressure (10.3MPa) enabled selective, non-exhaustive extractions to be performed. Concurrent with increasing temperatures to 150 degrees C there was an increase in PAH extraction efficiencies. For the majority of determinations no significant differences between extractions at 150 degrees C and 200 degrees C were observed. Varied extraction efficiencies of PAHs at the same extraction conditions reflected dissimilarities between environmental matrices investigated. Selective subcritical water extraction of PAHs was proportional to their octanol-water partition coefficients. This technique may be applicable in evaluation of risks associated with PAH contaminated sites and in assessments of their bioremediation potential.

  13. Destruction and survival of polycyclic aromatic hydrocarbons in active galaxies

    NASA Technical Reports Server (NTRS)

    Voit, G. M.

    1992-01-01

    Infrared spectra of dusty galactic environments often contain emission features attributed to polycyclic aromatic hydrocarbons or PAHs, which can be considered to be very small grains or very large molecules. Although IR spectra of starburst galaxies almost always show these emission features, similar spectra of active galaxies are usually featureless. Even in those active galaxies that do exhibit PAH emission, the PAHs still appear to be eradicated from the nuclear region. This dichotomy suggests that PAHs are destroyed by the intense hard radiation field from an AGN. Laboratory experiments show that certain PAHs are, in fact, so effectively destroyed by individual EUV and X-ray photons that they cannot survive even at kiloparsec distances from active nuclei. Regions within active galaxies that do show PAH emission must therefore be shielded from the central X-ray source by a substantial column density of X-ray absorbing gas.

  14. Polycyclic aromatic hydrocarbons in sediments of China Sea.

    PubMed

    Li, Yanxia; Duan, Xiaoyong

    2015-10-01

    Increasing pollution pressures were placed in the coastal and estuarine ecosystems in China because of the elevated pollutants discharged from various sources. Polycyclic aromatic hydrocarbons (PAHs) in the environment were closely linked to human activities, which have been intensively studied for their geochemical interest as markers. In this review, the status of PAH contamination in China Sea was assessed by comprehensive reviews of the concentrations, sources, and fates of PAHs in sediments of China Sea. PAH concentrations in China Sea sediments decreased from north to south due to the higher emissions in North China. Atmosphere was probably the main carrier of PAHs in the north due to the higher contents of atmospheric fine particles and higher wind speeds. However, riverine inputs were probably the most important sources of PAHs in the coastal sediments of South China due to higher rainfall.

  15. Health risks of residential exposure to polycyclic aromatic hydrocarbons.

    PubMed

    Brender, Jean D; Pichette, Janet L; Suarez, Lucina; Hendricks, Katherine A; Holt, Mandy

    2003-02-01

    A disease prevalence study and follow-up health surveillance were conducted among residents of an African-American community situated at the site of a former creosote wood-treatment facility contaminated with polycyclic aromatic hydrocarbons. Household interviews were conducted among 214 residents living around the hazardous waste site (target population) and 212 comparison residents in a neighborhood 2.4 km away from the site. Target area residents reported a higher prevalence of skin rashes than comparison residents (relative risk [RR] = 5.7; 95% confidence interval [CI] = 3.0, 10.9). The prevalence of reported rashes increased with increasing levels of anthracene detected in yards (test for linear trend, p = 0.02). With adjustment for environmental worry, reports of chronic bronchitis and difficulties becoming pregnant did not differ significantly between target and comparison residents (p > 0.05).

  16. Heterogeneous ozonation kinetics of polycyclic aromatic hydrocarbons on organic films

    NASA Astrophysics Data System (ADS)

    Kahan, T. F.; Kwamena, N.-O. A.; Donaldson, D. J.

    The room temperature heterogeneous reaction rates of gas-phase ozone with naphthalene, anthracene, fluoranthene, phenanthrene, pyrene, and benzo[ a]pyrene were measured over a range of ozone concentrations from 3.5×10 14 to 2.3×10 16 molec. cm -3. The polycyclic aromatic hydrocarbons (PAHs) were dissolved in organic mixtures composed of octanol or decanol along with proxies for compounds known to be present in "urban grime" films. In all cases, the reaction kinetics were well-described by the Langmuir-Hinshelwood mechanism, which suggests a surface reaction. The adsorption of PAHs to the air-organic interface was confirmed by an adsorption isotherm of anthracene. The presence of the additional organic compounds generally did not affect the reaction rates; however, unsaturated species such as oleic acid and squalene reduced the observed rates significantly.

  17. Polycyclic aromatic hydrocarbons in dust emitted from stoker - fired boilers.

    PubMed

    Kozielska, B; Konieczynski, J

    2007-08-01

    In the present paper, results of investigations of Polycyclic Aromatic Hydrocarbons (PAHs) in granulometric fractions of dust, emitted from 9 hard coal fired mechanic stoker boilers, are presented. Exhaust gases were sampled with a Mark III dust sampler. Extracts derived from the dust fractions were analysed by using Gas Chromatography (GC). The 16 PAHs, total PAHs and equivalent benzo(a)pyrene (B(a)P) were determined. Results of measurements averaged over all examined boilers are presented as concentrations, contents and contributions of investigated hydrocarbons to particular standardised fractions of dust classified according to particle sizes. Distributions of PAHs and their profiles in the dust fractions were determined. The emission factors for B(a)P and Toxic Equivalent B(a)P (TE B(a)P) were determined and proved to be several times higher than for pulverised fuel fired boilers. In the emitted dust, 73% of the total PAHs most hazardous to human health are comprised in PM1.

  18. Assessment of honey contamination with polycyclic aromatic hydrocarbons.

    PubMed

    Ciemniak, Artur; Witczak, Agata; Mocek, Kamila

    2013-01-01

    The aim of this study was to assess honey contamination by polycyclic aromatic hydrocarbons. Six species of honey were examined, as well as rape blossom and soil from villages Pęczerzyno and Przybysław in West Pomerania, Poland. The instrumental analysis was performed using a HP 6890 gas chromatograph coupled to a HP 5973 mass spectrometer with selected ion monitoring (SIM). Quantification was done by gas chromatography-mass spectrometry (GC-MS) using perdeuterated internal standards. Both soil samples showed high levels of all 23 PAHs, whereas honey contained mostly non-carcinogenic PAHs of low molecular weight. The most contaminated honey from Pęczerzyno contained 0.24 μg kg-1 benzo[a]pyrene. Moreover, despite low contamination of honey, a positive correlation was found between PAH content in honey, blossom and soil.

  19. Extraction of polycyclic aromatic hydrocarbons from spiked soil

    SciTech Connect

    Coover, M.P.; Sims, R.C.; Doucette, W.

    1987-11-01

    A homogenization method was evaluated for extracting polycyclic aromatic hydrocarbons (PAHs) from soils. Fifteen PAHs were spiked and recovered from 2 soils at concentrations ranging from 1 to 1000 micrograms/g, using the homogenization method and a Soxhlet extraction method. Each extraction method performed well in removing the 15 PAHs from both soils over a broad range of concentrations. In general, Soxhlet extraction yielded slightly but significantly (P less than 0.05) higher recoveries than did the homogenization method. The homogenization method, however, was easy to use, and the extraction step turnaround time was less than 15 min/sample. The method should be suitable for other applications requiring the extraction of hydrophobic organic compounds from soils.

  20. NMR shifts for polycyclic aromatic hydrocarbons from first-principles

    SciTech Connect

    Thonhauser, Timo; Ceresoli, Davide; Marzari, Nicola N.

    2009-09-03

    We present first-principles, density-functional theory calculations of the NMR chemical shifts for polycyclic aromatic hydrocarbons, starting with benzene and increasing sizes up to the one- and two-dimensional infinite limits of graphene ribbons and sheets. Our calculations are performed using a combination of the recently developed theory of orbital magnetization in solids, and a novel approach to NMR calculations where chemical shifts are obtained from the derivative of the orbital magnetization with respect to a microscopic, localized magnetic dipole. Using these methods we study on equal footing the 1H and 13C shifts in benzene, pyrene, coronene, in naphthalene, anthracene, naphthacene, and pentacene, and finally in graphene, graphite, and an infinite graphene ribbon. Our results show very good agreement with experiments and allow us to characterize the trends for the chemical shifts as a function of system size.

  1. Polycyclic Aromatic Hydrocarbons and Infrared Astrophysics with Spitzer

    NASA Technical Reports Server (NTRS)

    Hudgins, Douglas M.; Allamandola, L. J.

    2004-01-01

    Over the past fifteen years, thanks to significant, parallel advancements in observational, experimental, and theoretical techniques, tremendous strides have been made in our understanding of the role that carbon-rich plays in the interstellar medium (ISM). Twenty years ago, the possible existence of an abundant population of large, carbon-rich molecules in the ISM was unthinkable. Today, the unmistakable spectroscopic signatures of polycyclic aromatic hydrocarbons (PAHs) - shockingly large molecules by the standards of traditional interstellar chemistry -are recognized throughout the Universe. In this presentation, we will examine the current state of the interstellar PAH model and explore how this data, in conjunction with the unparalleled observational data provided by the Spitzer Space Telescope, can be used to draw ever-deeper insights into the physical and chemical natures of a wide range of astrophysical environments.

  2. In situ groundwater aeration of polycyclic aromatic hydrocarbons

    SciTech Connect

    Symons, B.D.; Linkenheil, R.; Pritchard, D.; Shanke, C.A.; Seep, D.

    1995-12-31

    At a former wood treating site in Minnesota, the feasibility of in situ groundwater aeration was investigated in a laboratory treatability setting, to evaluate biodegradability and optimal operation conditions of the site aquifer. After concluding that an aeration system would increase the dissolved oxygen concentrations in the groundwater enough to sustain microbial life, a field demonstration system was designed and installed. The system was operated for 1 year, during which groundwater quality at upgradient and downgradient wells was monitored to evaluate the system`s effectiveness. The groundwater aeration system successfully reduced groundwater polycyclic aromatic hydrocarbon (PAH) concentrations, especially naphthalene. Naphthalene concentrations were reduced from 1,319 {micro}g/L to below the laboratory detection limit of 0.5 {micro}g/L. Cumulative concentrations of other PAH compounds were reduced from 98 {micro}g/L to 23 {micro}g/L during the 1-year test.

  3. Polycyclic aromatic hydrocarbons in fuel-oil contaminated soils, Antarctica.

    PubMed

    Aislabie, J; Balks, M; Astori, N; Stevenson, G; Symons, R

    1999-12-01

    Where fuel oil spills have occurred on Antarctic soils polycyclic aromatic hydrocarbons (PAH) may accumulate. Surface and subsurface soil samples were collected from fuel spill sites up to 30 years old, and from nearby control sites, and analysed for the 16 PAHs on the USEPA priority pollutants list, as well as for two methyl substituted naphthalenes, 1-methylnaphthalene and 2-methylnaphthalene. PAH levels ranged from 41-8105 ng g-1 of dried soil in the samples from contaminated sites and were below detection limits in control site samples. PAH were detected in surface soils and had migrated to lower depths in the contaminated soil. The predominant PAH detected were naphthalene and its methyl derivatives.

  4. Metabolism of polycyclic aromatic hydrocarbons in the aquatic environment

    SciTech Connect

    Varanasi, U.

    1989-01-01

    During the past decade, knowledge of polycyclic aromatic hydrocarbons (PAH) in the aquatic environment has advanced substantially to encompass studies of bioavailability, metabolism, subsequent toxic effects, and their ecological consequences. In this book, recent advances in the areas of PAH biogeochemistry and bioaccumulation, microbial degradation, enzymes of activation and detoxication, metabolism of PAH, and laboratory and field studies on carcinogenic/toxic effects, are presented. Additionally, important similarities and differences in metabolism of PAH by aquatic and terrestrial organisms are discussed. These chapters also illustrate that although considerable progress has been made in certain areas of PAH metabolism in the aquatic environment, the field is relatively unexplored and many exciting possibilities exist for future investigations. Separate abstracts are included for 9 chapters in this book for inclusion in the appropriate data bases.

  5. Polycyclic Aromatic Hydrocarbons and Infrared Astrophysics with Spitzer

    NASA Technical Reports Server (NTRS)

    Hudgins, Douglas M.; Allamandola, L. J.

    2004-01-01

    Over the past fifteen years, thanks to significant, parallel advancements in observational, experimental, and theoretical techniques, tremendous strides have been made in our understanding of the role that carbon-rich plays in the interstellar medium (ISM). Twenty years ago, the possible existence of an abundant population of large, carbon-rich molecules in the ISM was unthinkable. Today, the unmistakable spectroscopic signatures of polycyclic aromatic hydrocarbons (PAHs) - shockingly large molecules by the standards of traditional interstellar chemistry -are recognized throughout the Universe. In this presentation, we will examine the current state of the interstellar PAH model and explore how this data, in conjunction with the unparalleled observational data provided by the Spitzer Space Telescope, can be used to draw ever-deeper insights into the physical and chemical natures of a wide range of astrophysical environments.

  6. Polycyclic Aromatic Aerosol Components: Chemical Analysis and Reactivity

    NASA Astrophysics Data System (ADS)

    Schauer, C.; Niessner, R.; Pöschl, U.

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous environmental pollutants in the atmosphere and originate primarily from incomplete combustion of organic matter and fossil fuels. Their main sources are anthropogenic (e.g. vehicle emissions, domes- tic heating or tobacco smoke), and PAHs consisting of more than four fused aromatic rings reside mostly on combustion aerosol particles, where they can react with atmo- spheric trace gases like O3, NOx or OH radicals leading to a wide variety of partially oxidized and nitrated derivatives. Such chemical transformations can strongly affect the activity of the aerosol particles as condensation nuclei, their atmospheric residence times, and consequently their direct and indirect climatic effects. Moreover some poly- cyclic aromatic compounds (PACs = PAHs + derivatives) are known to have a high carcinogenic, mutagenic and allergenic potential, and are thus of major importance in air pollution control. Furthermore PACs can be used as well defined soot model sub- stances, since the basic structure of soot can be regarded as an agglomerate of highly polymerized PAC-layers. For the chemical analysis of polycyclic aromatic aerosol components a new analyti- cal method based on LC-APCI-MS has been developed, and a data base comprising PAHs, Oxy-PAHs and Nitro-PAHs has been established. Together with a GC-HRMS method it will be applied to identify and quantify PAHs and Nitro-PAHs in atmo- spheric aerosol samples, diesel exhaust particle samples and model soot samples from laboratory reaction kinetics and product studies. As reported before, the adsorption and surface reaction rate of ozone on soot and PAH-like particle surfaces is reduced by competitive adsorption of water vapor at low relative humidity (< 25 %). Recent results at higher relative humidities (ca. 50 %), however, indicate re-enhanced gas phase ozone loss, which may be due to absorbtion of ozone into an aqueous surface layer. The interaction of ozone and nitrogen

  7. CHEMISTRY OF OXIDATION OF POLYCYCLIC AROMATIC HYDROCARBONS BY SOIL PSEUDOMONADS

    PubMed Central

    Rogoff, Martin H.

    1962-01-01

    Rogoff, Martin H. (U.S. Bureau of Mines, Pittsburgh, Pa.). Oxidation of polycyclic aromatic hydrocarbons by soil pseudomonads. J. Bacteriol. 83:998–1004. 1962.—Substitution of phenanthrene by a methyl group at the 9-carbon blocks oxidation of the compound by a resting-cell suspension of a phenanthrene-grown soil pseudomonad. When 2-methylphenanthrene is provided, the oxidation rate is considerably higher; 3-methylphenanthrene is oxidized at a rate intermediate between the other two, even though the methyl group is attached to a carbon directly involved in ring splitting. Cells grown on naphthalene or anthracene oxidize phenanthrene at a much lower rate than cells grown with phenanthrene or 2-methylnaphthalene as the source of carbon. Naphthalene-grown cells also absorb less phenanthrene from aqueous solution than do their phenanthrene-grown counterparts. The data are in keeping with the hypothesis that polynuclear aromatic hydrocarbons attach to the relevant bacterial enzymes at carbon-carbon bonds of high electron density (K regions; localized double bonds), and that the ring-splitting reactions then occur at other bonds on the substrate molecule. The actual bond that undergoes fission is determined by the electronic and steric configurations of the enzyme-substrate complex. When linearly arranged aromatic compounds such as naphthalene or anthracene are attacked, attachment to an enzyme and ring splitting may take place on the same ring; angular aromatic compounds such as phenanthrene afford attachment to an enzyme at a bond in a ring other than the one containing the ring-splitting site. PMID:14493381

  8. A review of polycyclic aromatic hydrocarbons (PAHs) research progress in China based on CNKI database

    NASA Astrophysics Data System (ADS)

    Zhang, Zhao

    2017-03-01

    This article using the retroactive content analysis method summarizes the research progress of air polycyclic aromatic hydrocarbons during 1983 to 2016, and is based on the 72 search results about "Air Polycyclic Aromatic Hydrocarbons" in CNKI database. This article directly points out the study achievements and improvements about air polycyclic aromatic hydrocarbons from 4 aspects, the reviews of the studies of PAHs in a special stage, the studies on PAHs determination and analysis method, the studies on PAHs concentration in different places and the studies on the relationship between PAHs concentration in air and human health, respectively.

  9. Prenatal Exposure to Polycyclic Aromatic Hydrocarbons /Aromatics, BDNF and Child Development

    PubMed Central

    Perera, Frederica; Phillips, David H.; Wang, Ya; Roen, Emily; Herbstman, Julie; Rauh, Virginia; Wang, Shuang; Tang, Deliang

    2015-01-01

    Objectives Within a New York City (NYC) birth cohort, we assessed the associations between polycyclic aromatic hydrocarbon (PAH) and other aromatic DNA adducts and brain derived neurotrophic factor (BDNF) concentrations in umbilical cord blood, and neurodevelopment at age 2 years and whether BDNF is a mediator of the associations between PAH/aromatic-DNA adducts and neurodevelopment. Methods PAH/aromatic-DNA adduct concentrations in cord blood were measured in 505 children born to nonsmoking African-American and Dominican women residing in NYC, and a subset was assessed for neurodevelopment at 2 years using the Bayley Scales of Infant Development Mental Development Index (MDI). A spectrum of PAH/aromatic-DNA adducts was measured using the 32P-postlabeling assay; DNA adducts formed by benzo[a]pyrene (B[a]P), a representative PAH, were measured by High Performance Liquid Chromatography (HPLC)/fluorescence. BDNF mature protein in cord blood plasma was quantified by an ELISA. Multivariate regression analysis, adjusting for potential confounders, was conducted. Results PAH/aromatic-DNA adduct concentration measured by postlabeling was inversely associated with BDNF concentration (p=0.02) and with MDI scores at 2 years (p=0.04). BDNF level was positively associated with MDI scores (p=0.003). Restricting to subjects having all three measures (PAH/aromatic-DNA adducts by postlabeling, MDI, and BDNF), results were similar but attenuated (p=0.13, p=0.05, p=0.01, respectively). Associations between B[a]P-DNA adducts and BDNF and B[a]P-DNA adducts and MDI at age 2 years were not significant. At age 3 years, the positive association of BDNF with MDI was not observed. Conclusions The results at age 2 suggest that prenatal exposure to a spectrum of PAH/aromatic pollutants may adversely affect early neurodevelopment, in part by reducing BDNF levels during the fetal period. However, the same relationship was not seen at age 3. PMID:26301740

  10. The unique aromatic catabolic genes in sphingomonads degrading polycyclic aromatic hydrocarbons (PAHs).

    PubMed

    Pinyakong, Onruthai; Habe, Hiroshi; Omori, Toshio

    2003-02-01

    Many members of the sphingomonad genus isolated from different geological areas can degrade a wide variety of polycyclic aromatic hydrocarbons (PAHs) and related compounds. These sphingomonads such as Sphingobium yanoikuyae strain B1, Novosphingobium aromaticivorans strain F199, and Sphingobium sp. strain P2 have been found to possess a unique group of genes for aromatic degradation, which are distantly related with those in pseudomonads and other genera reported so far both in sequence homology and gene organization. Genes for aromatics degradation in these sphingomonads are complexly arranged; the genes necessary for one degradation pathway are scattered through several clusters. These aromatic catabolic gene clusters seem to be conserved among many other sphingomonads such as Sphingobium yanoikuyae strain Q1, Sphingomonas paucimobilis strain TNE12, S. paucimobilis strain EPA505, Sphingobium agrestis strain HV3, and Sphingomonas chungbukensis strain DJ77. Furthermore, some genes for naphthalenesulfonate degradation found in Sphingomonas xenophaga strain BN6 also share a high sequence homology with their homologues found in these sphingomonads. On the other hand, protocatechuic catabolic gene clusters found in fluorene-degrading Sphingomonas sp. strain LB126 appear to be more closely related with those previously found in lignin-degrading S. paucimobilis SYK-6 than the genes in this group of sphingomonads. This review summarizes the information on the distribution of these strains and relationships among their aromatic catabolic genes.

  11. Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Compounds and their Ions. 6; Polycyclic Aromatic Nitrogen Heterocycles

    NASA Technical Reports Server (NTRS)

    Mattioda, A. L.; Hudgins, Douglas M.; Bauschlicher, C. W., Jr.; Rosi, M.; Allamandola, L. J.; DeVincenzi, D. (Technical Monitor)

    2002-01-01

    The matrix-isolation technique has been employed to measure the mid-infrared spectra of several polycyclic aromatic nitrogen heterocycles in both neutral and cationic forms. The species studied include: 7,8 benzoquinoline (C13H9N); 2-azapyrene (C15H9N); 1- and 2-azabenz(a)anthracene (C17H11N); and 1-, 2-, and 4-azachrysene (also C17H11N). The experimentally measured band frequencies and intensities for each molecule are tabulated and compared with their theoretically calculated values computed using density functional theory at the B3LYP/4-31G level. The overall agreement between experiment and theory is quite good, in keeping with previous investigations involving the parent aromatic hydrocarbons. Several interesting spectroscopic trends are found to accompany nitrogen substitution into the aromatic framework of these compounds. First, for the neutral species, the nitrogen atom produces a significant increase in the total integrated infrared intensity across the 1600 - 1100/cm region and plays an essential role in the molecular vibration that underlies an uncharacteristically intense, discrete feature that is observed near 1400/cm in the spectra of 7,8 benzoquinoline, 1-azabenz(a)anthracene, and 4-azachrysene. The origin of this enhanced infrared activity and the nature of the new 1400/cm vibrational mode are explored. Finally, in contrast to the parent hydrocarbon species, these aromatic nitrogen heterocycles possess a significant permanent dipole moment. Consequently, these dipole moments and the rotational constants are reported for these species in their neutral and ionized forms.

  12. Large Abundances of Polycyclic Aromatic Hydrocarbons in Titan's Upper Atmosphere

    NASA Technical Reports Server (NTRS)

    Lopez-Puertas, M.; Dinelli, B. M.; Adriani, A.; Funke, B.; Garcia-Comas, M.; Moriconi, M. L.; D'Aversa, E.; Boersma, C.; Allamandola, L. J.

    2013-01-01

    In this paper, we analyze the strong unidentified emission near 3.28 micron in Titan's upper daytime atmosphere recently discovered by Dinelli et al.We have studied it by using the NASA Ames PAH IR Spectroscopic Database. The polycyclic aromatic hydrocarbons (PAHs), after absorbing UV solar radiation, are able to emit strongly near 3.3 micron. By using current models for the redistribution of the absorbed UV energy, we have explained the observed spectral feature and have derived the vertical distribution of PAH abundances in Titan's upper atmosphere. PAHs have been found to be present in large concentrations, about (2-3) × 10(exp 4) particles / cubic cm. The identified PAHs have 9-96 carbons, with a concentration-weighted average of 34 carbons. The mean mass is approx 430 u; the mean area is about 0.53 sq. nm; they are formed by 10-11 rings on average, and about one-third of them contain nitrogen atoms. Recently, benzene together with light aromatic species as well as small concentrations of heavy positive and negative ions have been detected in Titan's upper atmosphere. We suggest that the large concentrations of PAHs found here are the neutral counterpart of those positive and negative ions, which hence supports the theory that the origin of Titan main haze layer is located in the upper atmosphere.

  13. Nucleobases in Space: Laboratory Studies of Polycyclic Aromatic Nitrogen Heterocycles

    NASA Technical Reports Server (NTRS)

    Elsila, Jamie; Mattioda, Andy; Bernstein, Max; Sandford, Scott; Hudgins, Doug

    2005-01-01

    Polycyclic Aromatic Nitrogen Heterocycles (PANHs) are heterocyclic aromatics Le., PAHs with carbon atoms replaced by a nitrogen atom. These molecules have been detected in meteorite extracts, and in general these nitrogen heterocycles are of astrobiological interest since this class of molecules include nucleobases, basic components of our nucleic acids. These compounds are predicted to be present in the interstellar medium and in Titan tholin, but have received relatively little attention. We will present spectra and reactions of PANHs, frozen in solid H2O at 12 K, conditions germane to astronomical observations. In contrast to simple PAHs, that do not interact strongly with solid H2O, the nitrogen atoms in PANHs are potentially capable of hydrogen bonding with H20 changing their spectra, complicating their remote detection on the surfaces of icy bodies. Moreover, we have studied the photo-chemistry of these interesting compounds under astrophysical conditions and will use our lab studies to assess a potential interstellar heritage of these compounds in carbonaceous chondrites.

  14. Sorption of polycyclic aromatic hydrocarbons to polystyrene nanoplastic.

    PubMed

    Liu, Lijing; Fokkink, Remco; Koelmans, Albert A

    2016-07-01

    Microplastic has become an emerging contaminant of global concern. Bulk plastic can degrade to form smaller particles down to the nanoscale (<100 nm), which are referred to as nanoplastics. Because of their high surface area, nanoplastic may bind hydrophobic chemicals very effectively, increasing their hazard when such nanoplastics are taken up by biota. The present study reports distribution coefficients for sorption of polycyclic aromatic hydrocarbons (PAHs) to 70 nm polystyrene in freshwater, and PAH adsorption isotherms spanning environmentally realistic aqueous concentrations of 10(-5)  μg/L to 1 μg/L. Nanopolystyrene aggregate state was assessed using dynamic light scattering. The adsorption isotherms were nonlinear, and the distribution coefficients at the lower ends of the isotherms were very high, with values up to 10(9) L/kg. The high and nonlinear sorption was explained from π-π interactions between the planar PAHs and the surface of the aromatic polymer polystyrene and was higher than for micrometer-sized polystyrene. Reduction of nanopolystyrene aggregate sizes had no significant effect on sorption, which suggests that the PAHs could reach the sorption sites on the pristine nanoparticles regardless of the aggregation state. Pre-extraction of the nanopolystyrene with C18 polydimethylsiloxane decreased sorption of PAHs, which could be explained by removal of the most hydrophobic fraction of the nanopolystyrene. Environ Toxicol Chem 2016;35:1650-1655. © 2015 SETAC.

  15. POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS AS SOURCES OF INTERSTELLAR INFRARED EMISSION

    SciTech Connect

    Roser, J. E.; Ricca, A.

    2015-03-10

    Polycyclic aromatic hydrocarbons (or PAHs) have been the subject of astrochemical research for several decades as principal sources of the interstellar aromatic infrared emission bands. PAH clusters could possibly contribute to these emission bands, but a lack of data on their infrared properties has made this hypothesis difficult to evaluate. Here we investigate homogeneous neutral PAH clusters by measuring the mid-infrared absorption spectra of the five nonlinear PAH molecules phenanthrene, chrysene, pyrene, perylene, and benzo[ghi]perylene within solid argon ice at a fixed temperature of 5 K. We attribute observed spectral shifts in their principal absorption bands as a function of argon/PAH ratio to clustering of the PAH molecules within the argon matrix. These shifts are related to the cluster structures forming in the matrix and the topology of the monomer PAH molecule. We predict that interstellar PAH molecules that are relatively large (no fewer than 50 carbon atoms per molecule) and compact will have clusters that contribute to the asymmetrically red-shaded profile of the interstellar 11.2 μm emission band.

  16. Polycyclic aromatic hydrocarbons (PAHs) in livers of California sea otters.

    PubMed

    Kannan, Kurunthachalam; Perrotta, Emily

    2008-03-01

    Concentrations of 16 polycyclic aromatic hydrocarbons (PAHs) were measured in livers of 81 adult female sea otters collected along the California coast in 1992-2002. Concentrations of summation operatorPAHs in livers of sea otters were in the range of 588-17400ng/g lipid wt (mean: 3880ng/g, lipid wt). On a wet weight basis, the concentrations ranged from 17 to 1430ng/g (mean: 146ng/g). Overall, di- and tri-cyclic aromatic hydrocarbons, namely, naphthalene, fluorene, phenanthrene/anthracene, and acenaphthylene, were the predominant compounds found in the livers. Although petroleum-related sources appear to be the major contributors to PAH exposure in sea otters, exposure sources varied by geographical sub-regions. Dibenz[a,h]anthracene was found to comprise a significant proportion of the summation operatorPAH concentrations in sea otters from the northern sub-region of the study area. No significant difference existed in the concentrations of summation operatorPAHs among sea otters that died from infectious diseases, emaciation, and noninfectious causes. Concentrations of summation operatorPAHs in livers of sea otters decreased significantly from 1992 to 2002. Because of the rapid metabolism of PAHs in marine mammals such as sea otters, further studies examining the association of PAHs with health effects should determine hydroxylated metabolites in livers.

  17. Nucleobases in Space: Laboratory Studies of Polycyclic Aromatic Nitrogen Heterocycles

    NASA Technical Reports Server (NTRS)

    Elsila, Jamie; Mattioda, Andy; Bernstein, Max; Sandford, Scott; Hudgins, Doug

    2005-01-01

    Polycyclic Aromatic Nitrogen Heterocycles (PANHs) are heterocyclic aromatics Le., PAHs with carbon atoms replaced by a nitrogen atom. These molecules have been detected in meteorite extracts, and in general these nitrogen heterocycles are of astrobiological interest since this class of molecules include nucleobases, basic components of our nucleic acids. These compounds are predicted to be present in the interstellar medium and in Titan tholin, but have received relatively little attention. We will present spectra and reactions of PANHs, frozen in solid H2O at 12 K, conditions germane to astronomical observations. In contrast to simple PAHs, that do not interact strongly with solid H2O, the nitrogen atoms in PANHs are potentially capable of hydrogen bonding with H20 changing their spectra, complicating their remote detection on the surfaces of icy bodies. Moreover, we have studied the photo-chemistry of these interesting compounds under astrophysical conditions and will use our lab studies to assess a potential interstellar heritage of these compounds in carbonaceous chondrites.

  18. Alkyl polycyclic aromatic hydrocarbons emissions in diesel/biodiesel exhaust

    NASA Astrophysics Data System (ADS)

    Casal, Carina S.; Arbilla, Graciela; Corrêa, Sergio M.

    2014-10-01

    Polycyclic aromatic hydrocarbons (PAHs) are widely studied in environmental matrices, such as air, water, soil and sediment, because of their toxicity, mutagenicity and carcinogenicity. Because of these properties, the environmental agencies of developed countries have listed sixteen PAHs as priority pollutants. Few countries have limits for these compounds for ambient air, but they only limit emissions from stationary and mobile sources and occupational areas. There are several studies to specifically address the 16 priority PAHs and very little for the alkyl PAHs. These compounds are more abundant, more persistent and frequently more toxic than the non-alkylated PAHs, and the toxicity increases with the number of alkyl substitutions on the aromatic ring. In this study, a method was developed for the analysis of PAHs and alkyl PAHs by using a GC-MS and large injection volume injection coupled with program temperature vaporisation, which allows for limits of detection below 1.0 ng μL-1. Several variables were tested, such as the injection volume, injection velocity, injector initial temperature, duration of the solvent split and others. This method was evaluated in samples from particulate matter from the emissions of engines employing standard diesel, commercial diesel and biodiesel B20. Samples were collected on a dynamometer bench for a diesel engine cycle and the results ranged from 0.5 to 96.9 ng mL-1, indicating that diesel/biodiesel makes a significant contribution to the formation of PAHs and alkyl PAHs.

  19. LARGE ABUNDANCES OF POLYCYCLIC AROMATIC HYDROCARBONS IN TITAN'S UPPER ATMOSPHERE

    SciTech Connect

    Lopez-Puertas, M.; Funke, B.; Garcia-Comas, M.; Dinelli, B. M.; Adriani, A.; D'Aversa, E.; Moriconi, M. L.; Boersma, C.; Allamandola, L. J.

    2013-06-20

    In this paper, we analyze the strong unidentified emission near 3.28 {mu}m in Titan's upper daytime atmosphere recently discovered by Dinelli et al. We have studied it by using the NASA Ames PAH IR Spectroscopic Database. The polycyclic aromatic hydrocarbons (PAHs), after absorbing UV solar radiation, are able to emit strongly near 3.3 {mu}m. By using current models for the redistribution of the absorbed UV energy, we have explained the observed spectral feature and have derived the vertical distribution of PAH abundances in Titan's upper atmosphere. PAHs have been found to be present in large concentrations, about (2-3) Multiplication-Sign 10{sup 4} particles cm{sup -3}. The identified PAHs have 9-96 carbons, with a concentration-weighted average of 34 carbons. The mean mass is {approx}430 u; the mean area is about 0.53 nm{sup 2}; they are formed by 10-11 rings on average, and about one-third of them contain nitrogen atoms. Recently, benzene together with light aromatic species as well as small concentrations of heavy positive and negative ions have been detected in Titan's upper atmosphere. We suggest that the large concentrations of PAHs found here are the neutral counterpart of those positive and negative ions, which hence supports the theory that the origin of Titan main haze layer is located in the upper atmosphere.

  20. Partition characteristics of polycyclic aromatic hydrocarbons on soils and sediments

    USGS Publications Warehouse

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

    1998-01-01

    The partition behavior was determined for three polycyclic aromatic hydrocarbons (PAHs), i.e., naphthalene, phenanthrene, and pyrene, from water to a range of soil and sediment samples. The measured partition coefficients of the individual PAHs between soil/sediment organic matter (SOM) and water (i.e., K(oc) values) are relatively invariant either for the 'clean' (uncontaminated) soils or for the clean sediments; however, the mean K(oc) values on the sediments are about twice the values on the soils. This disparity is similar to the earlier observation for other nonpolar solutes and reflects the compositional differences between soil and sediment organic matters. No significant differences in K(oc) are observed between a clean coastal marine sediment and freshwater sediments. The coastal sediments that are significantly impacted by organic contaminants exhibit higher K(oc) values. At given K(ow) values (octanol-water), the PAHs exhibit much higher K(oc) values than other relatively nonpolar solutes (e.g., chlorinated hydrocarbons). This effect is shown to result from the enhanced partition of PAHs to SOM rather than from lower K(ow) values of PAHs at given supercooled liquid solute solubilities in water. The enhanced partition of PAHs over other nonpolar solutes in SOM provides an account of the markedly different correlations between log K(oc) and log K(ow) for PAHs and for other nonpolar solutes. The improved partition of PAHs in SOM stems apparently from the enhanced compatibility of their cohesive energy densities with those of the aromatic components in SOM. The approximate aromatic fraction in soil/sediment organic matter has been assessed by solid-state 13C-NMR spectroscopy.The partition behavior was determined for three polycyclic aromatic hydrocarbons (PAHs), i.e., naphthalene, phenanthrene, and pyrene, from water to a range of soil and sediment samples. The measured partition coefficients of the individual PAHs between soil/sediment organic matter (SOM

  1. Chemical Kinetics of Polycyclic Aromatic Hydrocarbons in Comet Impacts

    NASA Astrophysics Data System (ADS)

    Kress, M. E.; McKay, C.; Tielens, A. G.; Frenklach, M.

    2004-12-01

    Polycyclic aromatic hydrocarbons (PAHs) are stable, robust organic compounds that would have been an important constituent of the early atmospheres of terrestrial planets. These strongly-bound molecules readily absorb ultraviolet light and may play a role in aerosol formation. PAHs are one of the predominant carriers of carbon in interstellar space, after CO. They are common in carbonaceous chondrites, and quite likely in comets as well. Impacts of volatile-rich planetesimals such as carbonaceous chondrites and comets would have been common during the late stages of planet formation. Theoretical studies of impact chemistry typically assume that the chemical composition of the post-impact material is given by thermodynamic equilibrium at 2000 K. These calculations also typically ignore the formation of aromatic compounds because the closure of the first aromatic ring is kinetically inhibited, although thermodynamically favorable at the temperatures and pressures of an impact fireball. Do the PAHs present in a comet or asteroid survive impact? If so, how are these PAHs modified during impact? To address these questions, we model the chemical kinetics of PAH survival, formation, growth and destruction within a parameter space consisting of impact fireball cooling timescales, pressures, temperatures, C/O ratios and other factors. The chemistry of PAHs has been well studied under conditions present in plug flow reactors and sooting flames (P ≈ 1atm, T≥ 1000 K). We hope that our results will motivate more experimental investigation of reaction mechanisms and rate coefficients for a broader range of temperatures and pressures than those heretofore studied for industrial applications. This work has been supported by the NASA Astrobiology Institute's Virtual Planetary Laboratory and the Institute for Geophysics and Planetary Physics at Lawrence Livermore National Laboratory.

  2. Food heating and the formation of heterocyclic aromatic amine and polycyclic aromatic hydrocarbon mutagens/carcinogens.

    PubMed

    Knize, M G; Salmon, C P; Pais, P; Felton, J S

    1999-01-01

    Heterocyclic aromatic amines (HAA) and polycyclic aromatic hydrocarbons (PAH) are mutagens and animal carcinogens sometimes formed when foods are heated or processed. Determining their role in cancer etiology depends on comparing human exposures and determining any significant dose-related effects. Chemical analysis of foods shows that flame-grilling can form both PAH and HAA, and that frying forms predominantly HAA. With detection limits of about 0.1 ng/g, amounts found in commercially processed or restaurant foods range from 0.1 to 14 ng/g for HAA, and levels of PAH up to 1 ng/g in a liquid smoke flavoring. Laboratory fried samples have greater amounts of PAH, up to 38 ng/g in hamburgers, and high levels of HAA, over 300 ng/g, are measured in grilled chicken breast. Understanding the processing conditions that form PAH and HAA can lead to methods to greatly reduce their occurrence in processed foods.

  3. Inversion and rotation processes involving non-planar aromatic compounds catalyzed by extended polycyclic aromatic hydrocarbons

    NASA Astrophysics Data System (ADS)

    Karton, Amir

    2014-10-01

    Using accurate quantum chemical calculations, we show that extended planar polycyclic aromatic hydrocarbons (PAHs) can efficiently catalyze a range of chemical processes involving non-planar aromatic systems. These include (i) bowl-to-bowl inversion of curved PAHs (e.g. corannulene and sumanene), (ii) 'flip-flop' inversion of helicenes (e.g. benzo[c]phenanthrene), and (iii) rotation about the Phsbnd Ph bond in biphenyls. Non-covalent π-π interactions between the planar catalyst and the substrate stabilize the planar transition structures to a greater extent than they stabilize the non-planar reactants. These result in surprisingly large catalytic enhancements (namely, the reaction barrier heights are reduced by 21-63% of the uncatalyzed reaction barriers).

  4. Webinar Presentation: Prenatal Exposures to Polycyclic Aromatic Hydrocarbons (PAH) and Childhood Body Mass Index Trajectories

    EPA Pesticide Factsheets

    This presentation, Prenatal Exposures to Polycyclic Aromatic Hydrocarbons (PAH) and Childhood Body Mass Index Trajectories, was given at the NIEHS/EPA Children's Centers 2015 Webinar Series held on Feb. 11, 2015.

  5. EPR and DFT Study of the Polycyclic Aromatic Radical Cations from Friedel-Crafts Alkylation Reactions

    NASA Astrophysics Data System (ADS)

    Wang, Tao; Wu, An-an; Gao, Li-guo; Wang, Han-qing

    2009-02-01

    Electron paramagnetic resonance and electron-nuclear double resonance methods were used to study the polycyclic aromatic radical cations produced in a Friedel-Crafts alkylating system, with m-xylene, or p-xylene and alkyl chloride. The results indicate that the observed electron paramagnetic resonance spectra are due to polycyclic aromatic radicals formed from the parent hydrocarbons. It is suggested that benzyl halides produced in the Friedel-Crafts alkylation reactions undergo Scholl self-condensation to give polycyclic aromatic hydrocarbons, which are converted into corresponding polycyclic aromatic radical cations in the presence of AlCl3. The identification of observed two radicals 2,6-dimethylanthracene and 1,4,5,8-tetramethylanthracene were supported by density functional theory calculations using the B3LYP/6-31G(d,p)//B3LYP/6-31G(d) approach. The theoretical coupling constants support the experimental assignment of the observed radicals.

  6. Modeling the Role of Alkanes, Polycyclic Aromatic Hydrocarbons, and Their Oligomers in Secondary Organic Aerosol Formation

    EPA Science Inventory

    A computationally efficient method to treat secondary organic aerosol (SOA) from various length and structure alkanes as well as SOA from polycyclic aromatic hydrocarbons (PAHs) is implemented in the Community Multiscale Air Quality (CMAQ) model to predict aerosol concentrations ...

  7. ASSAYING PARTICLE-BOUND POLYCYCLIC AROMATIC HYDROCARBONS (PAH) FROM ARCHIVED PM2.5 FILTERS

    EPA Science Inventory

    Airborne particulate matter contains numerous organic species, including several polycyclic aromatic hydrocarbons (PAHs) that are known or suspected carcinogens. Existing methods for measuring airborne PAHs are complex and costly, primarily because they are designed to collect...

  8. MUTAGENICITY IN SALMONELLA OF SULFUR-CONTAINING POLYCYCLIC AROMATIC HETEROCYCLES AND THEIR DIHYDRODIOL DERIVATIVES

    EPA Science Inventory

    Polycyclic aromatic sulfur heterocycles (PASH) are common constituents of cigarette smoke, fossil fuel-derived materials, and their combustion byproducts. Many PASH are known mutagens and carcinogens. However, unlike their nonsulfur-containing counterparts, relatively little is k...

  9. Do lagoon area sediments act as traps for polycyclic aromatic hydrocarbons?

    PubMed

    Marini, Mauro; Frapiccini, Emanuela

    2014-09-01

    The coastal lagoons are vulnerable systems, located between the land and the sea, enriched by both marine and continental inputs and are among the most productive aquatic ecosystems. The purpose of this work is to understand the influence of the lagoon area sediments on the behaviour of polycyclic aromatic hydrocarbons, through the adsorption coefficient determination. In fact, the sorption of polycyclic aromatic hydrocarbons is an important process because it governs the fate, transport, bioavailability and toxicity of these compounds in sediments. It has been observed that the adsorption of polycyclic aromatic hydrocarbons in a transitional system is the outcome of different factors, such as their sources and physicochemical properties, salinity and sediment composition, hydrology and environmental conditions. The results showed that transitional areas contribute to the polycyclic aromatic hydrocarbon accumulation in the sediment turning it into a trap.

  10. Modeling the Role of Alkanes, Polycyclic Aromatic Hydrocarbons, and Their Oligomers in Secondary Organic Aerosol Formation

    EPA Science Inventory

    A computationally efficient method to treat secondary organic aerosol (SOA) from various length and structure alkanes as well as SOA from polycyclic aromatic hydrocarbons (PAHs) is implemented in the Community Multiscale Air Quality (CMAQ) model to predict aerosol concentrations ...

  11. Identification of persulfate oxidation products of polycyclic aromatic hydrocarbon during remediation of contaminated soil

    EPA Science Inventory

    The extent of PAH transformation, the formation and transformation of reaction byproducts during persulfate oxidation of polycyclic aromatic hydrocarbons (PAHs) in coking plant soil was investigated. Pre-oxidation analyses indicated that oxygen-containing PAHs (oxy-PAHs) existed ...

  12. Identification of persulfate oxidation products of polycyclic aromatic hydrocarbon during remediation of contaminated soil

    EPA Science Inventory

    The extent of PAH transformation, the formation and transformation of reaction byproducts during persulfate oxidation of polycyclic aromatic hydrocarbons (PAHs) in coking plant soil was investigated. Pre-oxidation analyses indicated that oxygen-containing PAHs (oxy-PAHs) existed ...

  13. PHOTOACTIVATION AND TOXICITY OF MIXTURES OF POLYCYCLIC AROMATIC HYDROCARBON COMPOUNDS IN MARINE SEDIMENT

    EPA Science Inventory

    The direct toxicity and photoinduced toxicity of sediment-associated acenaphthene, phenanthrene, fluoranthene, and pyrene were determined for the marine amphipod Rhepoxynius abronius. The four polycyclic aromatic hydrocarbons (PAHs) were spiked into sediment in a concentration se...

  14. STUDIES ON BIOREMEDIATION OF POLYCYCLIC AROMATIC HYDROCARBON-CONTAMINATED SEDIMENTS: BIOAVAILABILITY, BIODEGRADABILITY, AND TOXICITY ISSUES

    EPA Science Inventory

    The widespread contamination of aquatic sediments by polycyclic aromatic hydrocarbons (PAHs) has created a need for cost-effective bioremediation processes, on which the bioavailability and the toxicity of PAHs often have a significant impact. This research investigated the biode...

  15. MULTISUBSTRATE BIODEGRADATION KINETICS FOR BINARY AND COMPLEX MIXTURES OF POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    Biodegradation kinetics were studied for binary and complex mixtures of nine polycyclic aromatic hydrocarbons (PAHs): naphthalene, 1-methylnaphthalene, 2-methylnaphthalene, 2-ethylnaphthalene, phenanthrene, anthracene, pyrene, fluorene and fluoranthene. Discrepancies between the ...

  16. MUTAGENICITY IN SALMONELLA OF SULFUR-CONTAINING POLYCYCLIC AROMATIC HETEROCYCLES AND THEIR DIHYDRODIOL DERIVATIVES

    EPA Science Inventory

    Polycyclic aromatic sulfur heterocycles (PASH) are common constituents of cigarette smoke, fossil fuel-derived materials, and their combustion byproducts. Many PASH are known mutagens and carcinogens. However, unlike their nonsulfur-containing counterparts, relatively little is k...

  17. ASSAYING PARTICLE-BOUND POLYCYCLIC AROMATIC HYDROCARBONS (PAH) FROM ARCHIVED PM2.5 FILTERS

    EPA Science Inventory

    Airborne particulate matter contains numerous organic species, including several polycyclic aromatic hydrocarbons (PAHs) that are known or suspected carcinogens. Existing methods for measuring airborne PAHs are complex and costly, primarily because they are designed to collect...

  18. PHOTOACTIVATION AND TOXICITY OF MIXTURES OF POLYCYCLIC AROMATIC HYDROCARBON COMPOUNDS IN MARINE SEDIMENT

    EPA Science Inventory

    The direct toxicity and photoinduced toxicity of sediment-associated acenaphthene, phenanthrene, fluoranthene, and pyrene were determined for the marine amphipod Rhepoxynius abronius. The four polycyclic aromatic hydrocarbons (PAHs) were spiked into sediment in a concentration se...

  19. COMPUTATIONAL METHODS FOR STUDYING THE INTERACTION BETWEEN POLYCYCLIC AROMATIC HYDROCARBONS AND BIOLOGICAL MACROMOLECULES

    EPA Science Inventory

    Computational Methods for Studying the Interaction between Polycyclic Aromatic Hydrocarbons and Biological Macromolecules .

    The mechanisms for the processes that result in significant biological activity of PAHs depend on the interaction of these molecules or their metabol...

  20. STUDIES ON BIOREMEDIATION OF POLYCYCLIC AROMATIC HYDROCARBON-CONTAMINATED SEDIMENTS: BIOAVAILABILITY, BIODEGRADABILITY, AND TOXICITY ISSUES

    EPA Science Inventory

    The widespread contamination of aquatic sediments by polycyclic aromatic hydrocarbons (PAHs) has created a need for cost-effective bioremediation processes, on which the bioavailability and the toxicity of PAHs often have a significant impact. This research investigated the biode...

  1. MULTISUBSTRATE BIODEGRADATION KINETICS FOR BINARY AND COMPLEX MIXTURES OF POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    Biodegradation kinetics were studied for binary and complex mixtures of nine polycyclic aromatic hydrocarbons (PAHs): naphthalene, 1-methylnaphthalene, 2-methylnaphthalene, 2-ethylnaphthalene, phenanthrene, anthracene, pyrene, fluorene and fluoranthene. Discrepancies between the ...

  2. COMPUTATIONAL METHODS FOR STUDYING THE INTERACTION BETWEEN POLYCYCLIC AROMATIC HYDROCARBONS AND BIOLOGICAL MACROMOLECULES

    EPA Science Inventory

    Computational Methods for Studying the Interaction between Polycyclic Aromatic Hydrocarbons and Biological Macromolecules .

    The mechanisms for the processes that result in significant biological activity of PAHs depend on the interaction of these molecules or their metabol...

  3. DIGESTIVE BIOAVAILABILITY TO A DEPOSIT FEDDER (ARENICOLA MARINA) OF POLYCYCLIC AROMATIC HYDROCARBONS ASSOCIATED WITH ANTHRPOGENIC PARTICLES

    EPA Science Inventory

    Marine sediments around urban areas serve as catch basins for anthropogenic particles containing polycyclic aromatic hydrocarbons (PAHs). Using incubations with gut fluids extracted from a deposit-feeding polychaete (Arenicola marina), we determined the digestive bioavailability ...

  4. Molecular cloning of novel genes for polycyclic aromatic hydrocarbon degradation from Commamonas testosteroni GZ39

    SciTech Connect

    Goyal, A.K.; Zylstra, G.J.

    1996-01-01

    The mechanisms by which bacteria degrade simple polycyclic aromatic compounds have been studied for some time. The genes for the initial steps in the degradation of maphthalene have been cloned from many different Pseudomonas stains. This study was undertaken to investigate the diversity of genes involved in phenanthrene degradation and to identify novel organisms and genes for polycyclic aromatic hydrocarbon degradations. 53 refs., 5 figs., 1 tab.

  5. Emission of polycyclic aromatic hydrocarbons from gasohol and ethanol vehicles

    NASA Astrophysics Data System (ADS)

    de Abrantes, Rui; Vicente de Assunção, João; Pesquero, Célia Regina; Bruns, Roy Edward; Nóbrega, Raimundo Paiva

    The exhaust emission of the polycyclic aromatic hydrocarbons (PAHs) considered toxic to human health were investigated on two spark ignition light duty vehicles, one being gasohol (Gasohol, in Brazil, is the generic denomination for mixtures of pure gasoline plus 20-25% of anhydrous ethyl alcohol fuel (AEAF).)-fuelled and the other a flexible-fuel vehicle fuelled with hydrated ethanol. The influence of fuel type and quality, aged lubricant oil type and use of fuel additives on the formation of these compounds was tested using standardized tests identical to US FTP-75 cycle. PAH sampling and chemical analysis followed the basic recommendations of method TO-13 (United States. Environmental Protection Agency, 1999. Compendium Method TO-13A - Determination of polycyclic Aromatic hydrocarbons (PAH) in Ambient Air Using Gas Chromatography/Mass Spectrometry (CG/MS). Center for environmental research information, Cincinnati, p. 78), with the necessary modification for this particular application. Results showed that the total PAH emission factor varied from 41.9 μg km -1 to 612 μg km -1 in the gasohol vehicle, and from 11.7 μg km -1 to 27.4 μg km -1 in the ethanol-fuelled vehicle, a significant difference in favor of the ethanol vehicle. Generally, emission of light molecular weight PAHs was predominant, while high molecular weights PAHs were not detected. In terms of benzo( a)pyrene toxicity equivalence, emission factors varied from 0.00984 μg TEQ km -1 to 4.61 μg TEQ km -1 for the gasohol vehicle and from 0.0117 μg TEQ km -1 to 0.0218 μg TEQ km -1 in the ethanol vehicle. For the gasohol vehicle, results showed that the use of fuel additive causes a significant increase in the emission of naphthalene and phenanthrene at a confidence level of 90% or higher; the use of rubber solvent on gasohol showed a reduction in the emission of naphthalene and phenanthrene at the same confidence level; the use of synthetic oil instead of mineral oil also contributed

  6. The Photochemistry of Polycyclic Aromatic Hydrocarbons (PAHs) in Water Ice

    NASA Astrophysics Data System (ADS)

    Allamandola, L. J.; Bouwman, J.; Cuppen, H.; Gudipati, M. S.; Linnartz, H.

    2009-12-01

    Polycyclic aromatic hydrocarbons (PAHs) and related aromatic materials are present in virtually all phases of the interstellar medium. In dense clouds, they condense out of the gas and become part of the water-rich mixed molecular ices that are a major component of the dust in dense molecular clouds. PAHs are also likely to be frozen on icy Solar System objects. Although the UV radiative processing of simple mixed molecular ices has been studied for nearly 30 years, research into the in-situ photochemistry of PAH containing ices has only recently begun. This paper will review some of that work. The vacuum ultraviolet (VUV) photochemistry of the PAHs naphthalene, pyrene, 4-methylpyrene and quatterylene in water ice at 10 to 30 K will be summarized. In all cases, the neutral parent PAH is readily and efficiently (>70%) converted to the radical cation (PAH+) form upon exposure to VUV radiation. These PAH cations remain trapped and stabilized within the ice to remarkably high temperatures as the ice is warmed to the sublimation point. To understand the chemical processes and kinetics during photolysis we carried out a systematic study on several PAH/H2O ices. A new apparatus was developed which permits tracking the in-situ behavior of the parent PAH and its photoproducts as a function of ice temperature and time with sub-second responsivity. Ice temperature determines the dominant reaction routes while photolysis duration processes the ice. The ability to measure spectra simultaneously with photolysis and with sub-second time resolution permits kinetic studies previously inaccessible and provides new insights into the processes occurring within the ice during photolysis. These studies show that PAHs may well play important but overlooked roles in cosmic ice chemistry and physics, whether they are in the Solar System or near star forming regions in dense clouds.

  7. Polycyclic aromatic hydrocarbons and fatal ischemic heart disease

    SciTech Connect

    Burstyn, I.; Kromhout, H.; Partanen, T.; Svane, O.; Langard, S.; Ahrens, W.; Kauppinen, T.; Stucker, I.; Shaham, J.; Heederik, D.; Ferro, G.; Heikkila, P.; Hooiveld, M.; Johansen, C.; Randem, B.G.; Boffetta, P.

    2005-11-01

    Several toxicologic and epidemiologic studies have produced evidence that occupational exposure to polycyclic aromatic hydrocarbons (PAH) is a risk factor for ischemic heart disease (IHD). However, a clear exposure-response relation has not been demonstrated. We studied a relation between exposure to PAH and mortality from IHD (418 cases) in a cohort of 12,367 male asphalt workers from Denmark, Finland, France, Germany, Israel, The Netherlands and Norway. Exposures to benzo(a)pyrene were assessed quantitatively using measurement-driven exposure models. Exposure to coal tar was assessed in a semiquantitative manner on the basis of information supplied by company representatives. We carried out sensitivity analyses to assess potential confounding by tobacco smoking. Both cumulative and average exposure indices for benzo(a)pyrene were positively associated with mortality from IHD. The highest relative risk for fatal IHD was observed for average benzo(a)pyrene exposures of 273 ng/m{sup 3} or higher, for which the relative risk was 1.64(95% confidence interval = 1.13-2.38). Similar results were obtained for coal tar exposure. Sensitivity analysis indicated that even in a realistic scenario of confounding by smoking, we would observe approximately 20% to 40% excess risk in IHD in the highest PAH-exposure categories. Our results lend support to the hypothesis that occupational PAH exposure causes fatal IHD and demonstrate a consistent exposure-response relation for this association.

  8. Occupational exposure to Polycyclic Aromatic Hydrocarbons in wood dust

    NASA Astrophysics Data System (ADS)

    Huynh, C. K.; Schüpfer, P.; Boiteux, P.

    2009-02-01

    Sino-nasal cancer (SNC) represents approximately 3% of Oto-Rhino-Laryngology (ORL) cancers. Adenocarcinoma SNC is an acknowledged occupational disease affecting certain specialized workers such as joiners and cabinetmakers. The high proportion of woodworkers contracting a SNC, subjected to an estimated risk 50 to 100 times higher than that affecting the general population, has suggested various study paths to possible causes such as tannin in hardwood, formaldehyde in plywood and benzo(a)pyrene produced by wood when overheated by cutting tools. It is acknowledged that tannin does not cause cancer to workers exposed to tea dust. Apart from being an irritant, formaldehyde is also classified as carcinogenic. The path involving carcinogenic Polycyclic Aromatic Hydrocarbons (PAHs) emitted by overheated wood is attractive. In this study, we measured the particle size and PAHs content in dust emitted by the processing of wood in an experimental chamber, and in field situation. Quantification of 16 PAHs is carried out by capillary GC-ion trap Mass Spectrometric analysis (GC-MS). The materials tested are rough fir tree, oak, impregnated polyurethane (PU) oak. The wood dust contains carcinogenic PAHs at the level of μg.g-1 or ppm. During sanding operations, the PU varnish-impregnated wood produces 100 times more PAHs in dust than the unfinished wood.

  9. Polycyclic aromatic hydrocarbon (PAH) ecotoxicology in marine ecosystems.

    PubMed

    Hylland, Ketil

    2006-01-08

    Low levels of oil and hence polycyclic aromatic hydrocarbons (PAHs) are naturally present in the marine environment, although levels have increased significantly following human extraction and use of oil and gas. Other major anthropogenic sources of PAHs include smelters, the use of fossil fuels in general, and various methods of waste disposal, especially incineration. There are two major sources for PAHs to marine ecosystems in Norway: the inshore smelter industry, and offshore oil and gas production activities. A distinction is generally made between petrogenic (oil-derived) and pyrogenic (combustion-derived) PAHs. Although petrogenic PAHs appear to be bioavailable to a large extent, pyrogenic PAHs are often associated with soot particles and less available for uptake into organisms. There is extensive evidence linking sediment-associated PAHs to induction of phase-I enzymes, development of DNA adducts, and eventually neoplastic lesions in fish. Most studies have focused on high-molecular-weight, carcinogenic PAHs such as benzo[a]pyrene. It is less clear how two- and three-ring PAHs affect fish, and there is even experimental evidence to indicate that these chemicals may inhibit some components of the phase I system rather than produce induction. There is a need for increased research efforts to clarify biological effects of two- and three-ring PAHs, PAH mixtures, and adaptation processes in marine ecosystems.

  10. Bioavailability of polycyclic aromatic hydrocarbons in the North Sea

    SciTech Connect

    Utvik, T.I.R. . Environmental Section); Johnsen, S. )

    1999-06-15

    Semipermeable membrane devices (SPMDs) and blue mussels (Mytilus edulis) were used to determine the bioavailable fraction of polycyclic aromatic hydrocarbons (PAHs) from oil field produced water in the North Sea. The SPMDs and mussels were deployed at 5, 10, and 50 m depth; 100 and 300 m downstream the discharge point; and at a reference site 16 km away. In both SPMDs and mussels, the concentration of PAHs increased significantly toward the discharge point, with the strongest contribution from the lower molecular weight compounds (naphthalene, phenanthrene, dibenzothiophene, and their C1-C3 alkyl homologues). The relative increase in PAH concentration from the reference site to the site at 100 m was higher for mussels than for the SPMDs. The SPMDs reflect the water-soluble fraction of the PAHs, which is probably the most important route of exposure for organisms at lower trophic levels and presumably also the fraction available for uptake by a respiratory route. Residues in the mussels represent both the water-soluble and particle-bound fraction and give information about bioavailability of the PAHs for organisms at higher trophic levels. The results of this study suggest that both techniques give important information about the bioavailability of PAHs to marine organisms.

  11. Some carcinogenic polycyclic aromatic hydrocarbons by photoacoustic spectroscopy

    NASA Astrophysics Data System (ADS)

    Garg, R. K.; Kumar, Pardeep; Ram, R. S.; Zaidi, Zahid H.

    1999-12-01

    Polycyclic aromatic hydrocarbons (PAHs) have attracted spectroscopists, astrophysicts and environmentalist because of their importance in our day to day life. It is well known that epoxides are produced during the metabolism of PAHs and have the requisite chemical reactivity to qualify them for the role as an ultimate carcinogenic form of PAHs. Several carcinogenic PAHs such as 3.4-benzopyrene, 1.2,3.4-dibenzopyrene, 3.4,9.10- dibenzopyrene etc. are found to be present in tobacco smoke and among air pollutants. Although PAH molecules are being studied for last several years by using conventional spectroscopy but no systematic attempt has been made to study non-radiative transitions. In our laboratory, we have studied many PAH molecules by a non-destructive technique with unique capability and sensitivity, known as Photoacoustic (PA) spectroscopy. PA spectroscopy is an analytical and research tool to get information about non-radiative transitions and singlet-triplet electronic transitions, where the conventional spectroscopic technique fails. The study of electronic transitions of some carcinogenic molecules are reported using PA and optical absorption spectra in boric acid glass in the region 250 - 400 nm. The electronic transitions of these molecules observed experimentally, have been interpreted using the optimized geometries and CNDO/S-CI method. A good agreement is found between the experimental and calculated results. Assignments of observed electronic transitions are made on the basis of singlet-triplet electronic transitions. Vibrations attached to these electronic transitions are attributed to the ground state vibrational modes.

  12. Superconductivity in an Alkali Doped Polycyclic Aromatic Hydrocarbon, Picene

    NASA Astrophysics Data System (ADS)

    Tokumoto, Madoka; Shimizu, Fumihiko; Hata, Yoshiaki; Sawai, Shinya; Han, Jing; Inoue, Katsuya

    2010-03-01

    The effect of carrier doping into polycyclic aromatic hydrocarbons, including perylene and pentacene, has been extensively studied.[1] As a result of halogen or alkali metal doping, a drastic increase in electrical conductivity was observed. However, superconductivity has not been reported except the one by Sch"on et al.[2] Recently, Kubozono reported that one of them, i.e. picene (C22H14) showed superconductivity at 20 K by doping with potassium.[3] We anticipate that it will lead to surprising findings of hidden organic molecular superconductors. In this presentation, we will report on the characterization of superconducting properties of alkali doped picene. Instead of ordinary vapor phase alkali metal doping, we employ thermal decomposition of alkali azides, i.e. AN3 where A = K, Rb. We followed the doping procedure of thermal decomposition applied to fullerene C60.[4] A systematic variation of the superconducting transition temperature and fraction are studied as a function of alkali metal composition. [1] H. Akamatu, H. Inokuchi, and Y. Matsunaga, Nature 173 (1954) 168. [2] J. H. Sch"on, Ch. Kloc & B. Batlogg, Nature 406 (2000) 702; retraction, Nature 422 (2003) 93. [3] R. Mitsuhashi, Y. Kubozono et al.: private communication. [4] M. Tokumoto, et al. , J. Phys. Chem. Solids, 54 (1993) 1667.

  13. Smoking increases carcinogenic polycyclic aromatic hydrocarbons in human lung tissue.

    PubMed

    Goldman, R; Enewold, L; Pellizzari, E; Beach, J B; Bowman, E D; Krishnan, S S; Shields, P G

    2001-09-01

    Tobacco smoke is a major source of human exposure to polycyclic aromatic hydrocarbons (PAHs). The concentration of PAHs in lung tissue would reflect an individual's dose, and its variation could perhaps reflect cancer risk. Eleven PAHs were measured in 70 lung tissue samples from cancer-free autopsy donors by gas chromatography-mass spectrometry. There were 37 smokers and 33 nonsmokers as estimated by serum cotinine concentration. The sum of PAH concentrations was higher in smokers (P = 0.01), and there was a dose-response relationship for greater smoking (P < 0.01). Smoking increased the concentration of five PAHs including benzo(a)pyrene, which increased approximately 2-fold. The risk for increasing carcinogenic PAHs (odds ratio, 8.20; 95% confidence interval, 2.39-28.09) was 3-fold compared with noncarcinogenic PAHs (odds ratio, 2.61; 95% confidence interval, 0.75-9.12). A higher concentration of PAHs was detected in the lung tissue of males, although the estimated smoking was similar in males and females. Race was not associated with PAH concentrations overall, but PAH concentrations appeared to be higher in African-American males than in any other group. Age was weakly correlated with an increase in fluoranthene and pyrene. The measurement of PAHs in human lung tissue can be used to estimate the actual dose to the target organ.

  14. Polycyclic aromatic hydrocarbons in milk powders marketed in Uruguay.

    PubMed

    García Londoño, Víctor Alonso; Reynoso, Cora Marcela; Resnik, Silvia

    2017-12-01

    Polycyclic aromatic hydrocarbons (PAHs) occurrence in forty-four samples of milk powder, marketed in Uruguay, was determined. A high-performance liquid chromatography (HPLC) method was applied with fluorescence detector (FLD) and UV-VIS diodes array detector (DAD). Milk powder was fortified with PAHs at three levels producing average recovery higher than 78.6% for all levels. The highest concentration of benzo(a)pyrene (BaP) was 2.85 μg kg(-1) in milk powder. Contamination of samples expressed as the sum of 16 analysed PAHs varied between 5.77 and 427.28 μg kg(-1) and as PAH4 (BaP, chrysene, benzo(a)anthracene and benzo(b)fluoranthene) was between below LOD and 11.54 μg kg(-1). Only one sample exceeded the maximum limit for BaP, but 84% of the commercial milk powders did not comply with the European Union maximum limit for PAH4.

  15. Tailoring Colors by O Annulation of Polycyclic Aromatic Hydrocarbons

    PubMed Central

    Miletić, Tanja; Fermi, Andrea; Orfanos, Ioannis; Avramopoulos, Aggelos; De Leo, Federica; Demitri, Nicola; Bergamini, Giacomo; Ceroni, Paola; Papadopoulos, Manthos G.; Couris, Stelios

    2017-01-01

    Abstract The synthesis of O‐doped polyaromatic hydro‐ carbons in which two polycyclic aromatic hydrocarbon sub units are bridged through one or two O atoms has been achieved. This includes high‐yield ring‐closure key steps that, depending on the reaction conditions, result in the formation of furanyl or pyranopyranyl linkages through intramolecular C−O bond formation. Comprehensive photophysical measurements in solution showed that these compounds have exceptionally high emission yields and tunable absorption properties throughout the UV/Vis spectral region. Electrochemical investigations showed that in all cases O annulation increases the electron‐donor capabilities by raising the HOMO energy level, whereas the LUMO energy level is less affected. Moreover, third‐order nonlinear optical (NLO) measurements on solutions or thin films containing the dyes showed very good values of the second hyperpolarizability. Importantly, poly(methyl methacrylate) films containing the pyranopyranyl derivatives exhibited weak linear absorption and NLO absorption compared to the nonlinearity and NLO refraction, respectively, and thus revealed them to be exceptional organic materials for photonic devices. PMID:27897357

  16. Plant bioindicators for polycyclic aromatic hydrocarbon toxicity in aquatic microcosms

    SciTech Connect

    Gensemer, R.W.; Solomon, K.R.; Day, K.E.; Hodson, P.V.; Servos, M.R.; Greenberg, B.M.

    1994-12-31

    Plant bioindicators are being developed to assess the effects of polycyclic aromatic hydrocarbons (PAHs) in experimental aquatic ecosystems. The approach is to develop and test biomarker assays that are specifically predictive of ecological events at the population and/or community levels of organization in artificial aquatic microcosms. PAH mixtures were introduced into a series of aquatic microcosms using the wood preservative creosote as a PAH source. The authors applied creosote at five dosage levels designed to simulate conductions observed at highly contaminated sites. The growth and biomass of phytoplankton, periphyton, and macrophytes were then measured throughout the growing season, and compared to one or more biomarker assays used to detect PAH contamination. Preliminary results using fluorescence induction on aquatic macrophytes suggest that PAHs can significantly inhibit photosynthesis at even modest concentrations 1--4 hours after exposure. This assay thus is not only a sensitive indicator of PAH exposure, but may also describe mechanisms of PAH toxicity that ultimately reduce biomass or population growth for aquatic plants in these microcosms.

  17. DUSTY WINDS: EXTRAPLANAR POLYCYCLIC AROMATIC HYDROCARBON FEATURES OF NEARBY GALAXIES

    SciTech Connect

    McCormick, Alexander; Veilleux, Sylvain; Rupke, David S. N. E-mail: veilleux@astro.umd.edu

    2013-09-10

    Recent observations have shown the presence of dust and molecular material in galactic winds, but relatively little is known about the distribution of these outflow components. To shed some light on this issue, we have used IRAC images from the Spitzer Space Telescope archive to investigate polycyclic aromatic hydrocarbon (PAH) emission from a sample of 16 local galaxies with known winds. Our focus on nearby sources (median distance 8.6 Mpc) has revealed detailed PAH structure in the winds and allowed us to measure extraplanar PAH emission. We have identified extraplanar PAH features on scales of {approx}0.8-6.0 kpc. We find a nearly linear correlation between the amount of extraplanar PAH emission and the total infrared flux, a proxy for star formation activity in the disk. Our results also indicate a correlation between the height of extraplanar PAH emission and star formation rate surface density, which supports the idea of a surface density threshold on the energy or momentum injection rate for producing detectable extraplanar wind material.

  18. Risk assessment of polycyclic aromatic hydrocarbons in aquatic ecosystems.

    PubMed

    Wu, Bing; Zhang, Rui; Cheng, Shu-Pei; Ford, Timothy; Li, Ai-Min; Zhang, Xu-Xiang

    2011-07-01

    A probability risk assessment of anthracene, benzo(a)pyrene, chrysene, fluorene, phenanthrene and pyrene was carried out to examine the ecological risk of these six polycyclic aromatic hydrocarbons (PAHs) in aquatic ecosystems in China. The literature on PAH concentrations in surface water in China was collected to evaluate the environmental exposure concentrations (EEC). The 10th percentile of predicted no observed effect concentration (PNEC(10%)) of PAHs, calculated according to the data from the USEPA AQUIRE database and regulatory reviews, was applied as the toxicity assessment endpoint. The ratio of EEC and PNEC(10%), expressed as a risk quotient (RQ), was used to characterize the risk value. Bootstrapping method and Monte Carlo simulation were utilized to calculate the distribution of EEC, PNEC(10%), RQ and associated uncertainties. Risk assessment showed that reliable maximum RQs of anthracene, benzo(a)pyrene, chrysene, fluorene and phenanthrene were in the range of 0.064-0.755, lower than the acceptable value of 1. However, the reliable maximum RQ of pyrene was 1.39, indicating its potential ecological risk. Notwithstanding the uncertainty, these results suggest that the aquatic ecosystems with high PAH concentrations might pose potential ecological risks, and concerted efforts are required to ensure that surface water is protected.

  19. Mild extractability and bioavailability of polycyclic aromatic hydrocarbons in soil

    SciTech Connect

    Tang, J.; Alexander, M.

    1999-12-01

    A study was conducted to determine the relationship between bioavailability of unaged and aged polycyclic aromatic hydrocarbons (PAHs) in soil and the amounts detected by mild solvent extraction. More aged than unaged anthracene remained in Lima loam following introduction of earthworms (Eisenia foetida), a mixed culture containing anthracene-degrading microorganisms, or earthworms or wheat after bacterial biodegradation of the compound. Aging decreased the percentage of anthracene recovered by mild extraction with n-butanol from soil following introduction of earthworms, growth of wheat, biodegradation by bacteria, or when maintained sterile. Biodegradation resulted in a marked decrease in the percentage of aged and unaged anthracene recovered from soil by mild extraction with n-butanol or ethyl acetate. Aging of fluoranthene and pyrene decreased the amount removed by mild extraction with n-butanol, ethyl acetate, and propanol. The uptake of aged and unaged anthracene, fluoranthene, and pyrene by earthworms was correlated with the amounts recovered from soil by mild extraction with n-butanol, propanol, and ethyl acetate. The retention of aged and unaged anthracene by wheat and barley was correlated with the amounts recovered from soil by the same procedure. The authors suggest that mild extraction with organic solvents can be used to predict the bioavailability of PAHs in soil.

  20. Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Cations

    NASA Technical Reports Server (NTRS)

    Hudgins, D. M.; Allamandola, L. J.

    1995-01-01

    Gaseous, ionized polycyclic aromatic hydrocarbons (PAHs) are thought to be responsible for a very common family of interstellar infrared emission bands. Here the near- and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene: phenanthrene, pyrene, benzo(e)pyrene, benzo-(ghi)perylene, and coronene, are presented to test this hypothesis. For those molecules that have been studied previously (pyrene, pyrene-d(sub 10), and coronene), band positions and relative intensities are in agreement. In all of these cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeuteriophenanthrene, pyrene, benzo(ghi]perylene, and coronene cations. With the exception of coronene, the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations, the CC stretching and CH in-plane bending modes give rise to bands that are an order of magnitude stronger than those of the neutral species, and the CH out-of-plane bends produce bands that are 5-20 times weaker than those of the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

  1. Surface motility of polycyclic aromatic hydrocarbon (PAH)-degrading mycobacteria.

    PubMed

    Fredslund, Line; Sniegowski, Kristel; Wick, Lukas Y; Jacobsen, Carsten S; De Mot, René; Springael, Dirk

    2008-05-01

    Surface motility of the polycyclic aromatic hydrocarbon (PAH)-degrading Mycobacterium gilvum VM552 was tested on agar and agarose plates prepared with varying amounts of gelling agents in the presence and absence of phenanthrene. Extensive spreading, originating from the point of inoculation, was observed on the surfaces of plates prepared with up to 0.3% agar and up to 0.6% agarose. The spreading velocities were 15.8 mm d(-1) on 0.3% agar and 19.5 mm d(-1) on 0.3% agarose plates. No evidence was found of accelerated or directed surface motility towards PAH crystals. The morphology of spreading M. gilvum VM552 colonies depended on both the carbon source and the type and concentration of the gelling agent. In 0.3% agar plates, M. gilvum VM552 cells were organized in 1-2-mm-wide branches of 1-5 cm length, while on agarose they slid as a homogenous monolayer across the surface. Microscopic inspection of the colonies on agar surfaces suggested that formation of branches was the combined effect of: (i) cell division and growth at the tip of a branch; (ii) propulsion of cells from the mature basal parts of a branch towards the tip; and (iii) physiologically induced reduced friction between cells and agar. Similar surface migration patterns were observed for the anthracene-degrading M. frederiksbergense LB501T.

  2. Atmospheric transport and outflow of polycyclic aromatic hydrocarbons from China

    SciTech Connect

    Chang Lang; Shu Tao; Wenxin Liu; Yanxu Zhang; Staci Simonich

    2008-07-15

    A potential receptor influence function (PRIF) model, based on air mass forward trajectory calculations, was applied to simulate the atmospheric transport and outflow of polycyclic aromatic hydrocarbons (PAHs) emitted from China. With a 10 day atmospheric transport time, most neighboring countries and regions, as well as remote regions, were influenced by PAH emissions from China. Of the total annual PAH emission of 114 Gg, 92.7% remained within the boundary of mainland China. The geographic distribution of PRIFs within China was similar to the geographic distribution of the source regions, with high values in the North China Plain, Sichuan Basin, Shanxi, and Guizhou province. The Tarim basin and Sichuan basin had unfavorable meteorological conditions for PAH outflow. Of the PAH outflow from China (8092 tons or 7.1% of the total annual PAH emission), approximately 69.9% (5655 tons) reached no further than the offshore environment of mainland China and the South China Sea. Approximate 227, 71, 746, and 131 tons PAHs reached North Korea, South Korea, Russia-Mongolia region, and Japan, respectively, 2-4 days after the emission. Only 1.4 tons PAHs reached North America after more than 9 days. Interannual variation in the eastward PAH outflow was positively correlated to cold episodes of El Nino/Southern Oscillation. However, trans-Pacific atmospheric transport of PAHs from China was correlated to Pacific North America index (PNA) which is associated with the strength and position of westerly winds. 38 refs., 4 figs.

  3. Determinants of polycyclic aromatic hydrocarbon levels in house dust.

    PubMed

    Whitehead, Todd; Metayer, Catherine; Gunier, Robert B; Ward, Mary H; Nishioka, Marcia G; Buffler, Patricia; Rappaport, Stephen M

    2011-01-01

    Estimation of human exposures to polycyclic aromatic hydrocarbons (PAHs) is often desired for the epidemiological studies of cancer. One way to obtain information about indoor levels of PAHs is to measure these chemicals in house dust. In this study, we evaluated the predictive value of self-reported and geographic data for estimating measured levels of nine PAHs in house dust from 583 households in the Northern California Childhood Leukemia Study (NCCLS). Using multivariable linear regression models, we evaluated the effects on house-dust PAH concentrations from the following covariates: residential heating sources, smoking habits, house characteristics, and outdoor emission sources. House dust was collected from 2001 to 2007, using both high-volume surface samplers and household vacuum cleaners, and was analyzed for nine PAHs using gas chromatography-mass spectrometry. All nine PAHs were detected in more than 93% of dust samples, with median concentrations ranging from 14 to 94 ng/g dust. Statistically significant effects on PAH concentrations in house dust were found for gas heating, outdoor PAH concentrations, and residence age. Yet, the optimal regression model only explained 15% of the variation in PAH levels in house dust. As self-reported data and outdoor PAH sources were only marginally predictive of observed PAH levels, we recommend that PAH concentrations be measured directly in dust samples for use in epidemiological studies.

  4. Stochastic atomistic simulation of polycyclic aromatic hydrocarbon growth in combustion.

    PubMed

    Lai, Jason Y W; Elvati, Paolo; Violi, Angela

    2014-05-07

    Nanoparticles formed in gas phase environments, such as combustion, have an important impact on society both as engineering components and hazardous pollutants. A new software package, the Stochastic Nanoparticle Simulator (SNAPS) was developed, applying a stochastic chemical kinetics methodology, to computationally investigate the growth of nanoparticle precursors through trajectories of chemical reactions. SNAPS was applied to characterize the growth of polycyclic aromatic hydrocarbons (PAHs), important precursors of carbonaceous nanoparticles and soot, in a premixed laminar benzene flame, using a concurrently developed PAH growth chemical reaction mechanism, as well as an existing benzene oxidation mechanism. Simulations of PAH ensembles successfully predicted existing experimentally measured data and provided novel insight into chemical composition and reaction pathways. The most commonly observed PAH isomers in simulations showed the importance of 5-membered rings, which contrasts with traditionally assumed compositions involving primarily pericondensed 6-membered rings. In addition, the chemical growth of PAHs involved complex sequences of highly reversible reactions, rather than relatively direct routes of additions and ring closures. Furthermore, the most common reactions involved 5-membered rings, suggesting their importance to PAH growth. The framework developed in this work will facilitate future investigation of particle inception and soot formation and will benefit engineering of novel combustion technologies to mitigate harmful emissions.

  5. Fullerenes, fulleranes and polycyclic aromatic hydrocarbons in the Allende meteorite

    NASA Technical Reports Server (NTRS)

    Becker, L.; Bunch, T. E.

    1997-01-01

    In this paper, we confirm our earlier observations of fullerenes (C60 and C70) in the Allende meteorite (Becker et al., 1994a, 1995). Fullerene C60 was also detected in two separate C-rich (approximately 0.5-1.0%) dark inclusions (Heymann et al., 1987) that were hand picked from the Allende sample. The amounts of C60 detected were approximately 5 and approximately 10 ppb, respectively, which is considerably less than what was detected in the Allende 15/21 sample (approximately 100 ppb; Becker et al., 1994a, 1995). This suggests that fullerenes are heterogeneously distributed in the meteorite. In addition, we present evidence for fulleranes, (C60Hx), detected in separate samples by laser desorption (reflectron) time-of-flight (TOF) mass spectrometry (LDMS). The LDMS spectra for the Allende extracts were remarkably similar to the spectra generated for the synthetic fullerane mixtures. Several fullerane products were synthesized using a Rh catalyst (Becker et al., 1993a) and separated using high-performance liquid chromatography (HPLC). Polycyclic aromatic hydrocarbons (PAHs) were also observed ppm levels) that included benzofluoranthene and corannulene, a cup-shaped molecule that has been proposed as a precursor molecule to the formation of fullerenes in the gas phase (Pope et al., 1993).

  6. Dusty Winds: Extraplanar Polycyclic Aromatic Hydrocarbon Features of Nearby Galaxies

    NASA Astrophysics Data System (ADS)

    McCormick, Alexander; Veilleux, Sylvain; Rupke, David S. N.

    2013-09-01

    Recent observations have shown the presence of dust and molecular material in galactic winds, but relatively little is known about the distribution of these outflow components. To shed some light on this issue, we have used IRAC images from the Spitzer Space Telescope archive to investigate polycyclic aromatic hydrocarbon (PAH) emission from a sample of 16 local galaxies with known winds. Our focus on nearby sources (median distance 8.6 Mpc) has revealed detailed PAH structure in the winds and allowed us to measure extraplanar PAH emission. We have identified extraplanar PAH features on scales of ~0.8-6.0 kpc. We find a nearly linear correlation between the amount of extraplanar PAH emission and the total infrared flux, a proxy for star formation activity in the disk. Our results also indicate a correlation between the height of extraplanar PAH emission and star formation rate surface density, which supports the idea of a surface density threshold on the energy or momentum injection rate for producing detectable extraplanar wind material.

  7. Formation History of Polycyclic Aromatic Hydrocarbons in Galaxies

    NASA Astrophysics Data System (ADS)

    Seok, J. Y.; Hirashita, H.; Asano, R.

    Polycyclic aromatic hydrocarbons (PAHs) are one of the major dust components in the interstellar medium (ISM). We present our model calculations for the PAH abundance in the ISM on a galaxy-evolution timescale. We consider shattering of carbonaceous dust grains as the formation mechanism of PAHs while the PAH abundance is reduced by coagulation onto dust grains, destruction by supernova shocks, and injection into star formation. We implement these processes in an one-zone chemical evolution model to obtain the evolution of the PAH abundance in a galaxy. We find that PAH formation becomes accelerated at a certain metallicity at which shattering becomes efficient. For PAH destruction, while supernova shock is a primary mechanism in the metal-poor environment, coagulation is dominant in the metal-rich environment. We compare the calculated PAH abundances with the observed abundances in galaxies with a wide metallicity range. Our models reproduce both the low PAH abundance in low metallicity galaxies and the metallicity-dependence of the PAH abundance in high-metallicity galaxies. We conclude that the observational trend can be explained by shattering of carbonaceous grains being the source of PAHs in the ISM.

  8. An Evaluation of Polycyclic Aromatic Hydrocarbon Uptake into Polyethylene Samplers

    NASA Astrophysics Data System (ADS)

    Martynowych, D. J.; McDonough, C.; Lohmann, R.

    2013-12-01

    Polyethylene passive samplers (PEs) are simple reliable tools that have been widely used in the detection of hydrophobic organic compounds. Thick (>200μm or greater) PEs have important applications to specific sampling scenarios including biological assays, deployment on ships and aircraft (towing) and long term sampling, however little is known about their uptake kinetics. This study aimed to develop an accurate understanding of the uptake kinetics of these thick PEs. PE passive samplers of equal surface area, but differing thicknesses were co-deployed in the surface water and air of lower Narragansett Bay in 2013 to characterize differences in their uptake of polycyclic aromatic hydrocarbons (PAHs). PE samplers of approximately 50, 800, and 1600μm thicknesses were analyzed for 38 parent and alkylated PAHs, with replicate sampler reproducibility mostly within 25%. A number of smaller PAHs (typically those with a molecular weight less than 180) analyzed over a 4 week deployment equilibrated, while the larger molecules remained in the linear or curve linear uptake stages. Results from a second, 24 week deployment of 800μm and 1600μm samplers in surface waters suggest that all 38 compounds studied remained in the linear uptake stage. The PE-weight normalized concentration ratio of 1600μm to 800μm sampler fell below 1 for all analytes, implying equilibrium had not been established.

  9. Remediation of Polycyclic Aromatic Hydrocarbons in Soil Using Cosolvent Flushing

    NASA Astrophysics Data System (ADS)

    Birak, P. S.; Hauswirth, S.; Miller, C. T.

    2010-12-01

    The ability of cosolvents to increase the solubility of hydrophobic organic contaminants has been well documented in the literature; however, few studies have examined its effectiveness with respect to field contaminated media. In this work, we examine the use of methanol flushing as a possible in-situ remediation technology using an aged, tar-contaminated field soil from a former manufactured gas plant containing polycyclic aromatic hydrocarbons (PAHs). For 15 PAHs, batch experiments were used to determine the change in the equilibrium partitioning coefficient with cosolvent fraction based on a log-linear cosolvency model. Column experiments were conducted to examine the removal of PAHs using methanol solutions as a function of pore volumes flushed. Experiments were conducted in a 25-cm long glass column. Effluent concentrations were determined for PAHs. Methanol concentrations in effluent samples were also determined. A numerical model with coupled flow and transport equations was used to predict effluent concentrations of methanol and PAHs. During cosolvent flushing with 95% methanol solutions, approximately 80% of the total PAH mass was removed in the first four pore volumes. The remaining mass in the column appeared to be mass transfer limited, particularly for the low molecular weight PAHs.

  10. Investigation of polycyclic aromatic hydrocarbons from coal gasification.

    PubMed

    Zhou, Hong-cang; Jin, Bao-sheng; Zhong, Zhao-ping; Huang, Ya-ji; Xiao, Rui; Li, Da-ji

    2005-01-01

    The hazardous organic pollutants generated from coal gasification, such as polycyclic aromatic hydrocarbons(PAHs), are highly mutagenic and carcinogenic. More researchers have paid particular attention to them. Using air and steam as gasification medium, the experiments of three kinds of coals were carried out in a bench-scale atmospheric fluidized bed gasifier. The contents of the 16 PAHs specified by US EPA in raw coal, slag, bag house coke, cyclone coke and gas were measured by HPLC to study the contents of PAHs in raw coal and the effects of the inherent characters of coals on the formation and release of PAHs in coal gasification. The experimental results showed that the distributions of PAHs in the gasified products are similar to raw coals and the total-PAHs content in coal gasification is higher than in raw coal(except Coal C). The total-PAHs contents increase and then decrease with the rise of fixed carbon and sulfur of coal while there has an opposite variation when volatile matters content increase. The quantities of PAHs reduce with the increase of ash content or the drop of heating value during coal gasification.

  11. Polycyclic aromatic hydrocarbons from wood pyrolyis in charcoal production furnaces.

    PubMed

    Barbosa, Joyce Mara dos Santos; Ré-Poppi, Nilva; Santiago-Silva, Mary

    2006-07-01

    Polycyclic aromatic hydrocarbons (PAH) were measured in smoke samples from wood carbonization during charcoal production, in both particulate matter (PM) and gaseous phases. Samples were acquired using a medium-volume air sampler at 1.5 m distance from the furnace. Particle-bound PAH were collected on Fluoropore polytetrafluoroethylene filters and gas-phase PAH were collected into sorbent tubes with XAD-2 resin. PAH were extracted with dichloromethane-methanol and analyzed using gas chromatography-mass spectrometry. The results showed total emission from the furnace of 26 microg/m3 for the 16 PAH and 2.8 microg/m3 for the 10 genotoxic PAH (from fluoranthene to benzo[g,h,i]perylene). High emission of 16 PAH in the first 8 h of wood carbonization was detected (64 microg/m3; 56% of the total emission). Associated with PM, 11% of the total emission of 16 PAH (in both phases) and 60% of 10 genotoxic PAH were found. Relative ratios (for example, [Phe]/[Phe]+[Ant]) for the PAH of the same molecular weight were obtained and compared with the published data. The concentrations of benzo[a]pyrene equivalent (BaP(eq)) were estimated using the list of toxic equivalent factors suggested by . The values of 0.30 and 0.06 mg/m3 were obtained for the total concentrations of BaP(eq) in PM and gaseous phase, respectively.

  12. Polycyclic Aromatic Hydrocarbons in drinking water of Tehran, Iran.

    PubMed

    Karyab, Hamid; Yunesian, Masud; Nasseri, Simin; Mahvi, Amir Hosein; Ahmadkhaniha, Reza; Rastkari, Noushin; Nabizadeh, Ramin

    2013-08-05

    Distribution and seasonal variation of sixteen priority polycyclic aromatic hydrocarbons (PAHs) were investigated in the drinking water of Tehran, the capital of Iran. Detected single and total PAHs concentrations were in the range of 2.01-38.96 and 32.45-733.10 ng/L, respectively, which were quite high compared to the values recorded in other areas of the world. The average occurrence of PAHs with high molecular weights was 79.55%; for example, chrysene occurred in 60.6% of the samples, with a maximum concentration of 438.96 ng/L. In addition, mean carcinogen to non-carcinogen PAHs ratio was 63.84. Although the concentration of benzo[a]pyrene, as an indicator of water pollution to PAHs, was lower than the guideline value proposed by World Health Organization (WHO) as well as that of Iranian National Drinking Water Standards for all of the samples, the obtained results indicated that carcinogen PAHs present in the drinking water of Tehran can cause threats to human health.

  13. Fugacity analysis of polycyclic aromatic hydrocarbons between microplastics and seawater

    NASA Astrophysics Data System (ADS)

    Lee, Hwang; Chang, Sein; Kim, Seung-Kyu; Kwon, Jung-Hwan

    2017-01-01

    Recently, the accumulation of plastic debris in the marine environment has become a great concern worldwide. Although plastics are biologically and chemically inert, plastic debris has been suspected of causing adverse effects on ecosystems due to the increase in reactivity by size reduction and/or micropollutants associated with plastics. Because of the high sorption capacity of microplastics toward organic micropollutants, it is suspected that microplastics may play roles in the distribution and fate of micropollutants. In order to quantitatively evaluate the "net flow" of environmental contaminants in water-plastic-organism systems, a fugacity analysis was conducted using concentrations of polycyclic aromatic hydrocarbons (PAHs) in open oceans and in polyethylene as a representative material of plastic debris. Ratio of fugacity in polyethylene to that in seawater showed a decreasing trend with increasing partition coefficient between polyethylene and seawater (KPE/sw). This indicates that phase equilibrium between polyethylene and seawater is not attained for higher molecular weight PAHs. Disequilibrium of high molecular weight PAHs suggests that transfer from seawater to plastic debris is thermodynamically driven and the role of plastic debris as a vector to transfer them to living organisms would be minimal. However, additives may slowly migrate from plastics into the environment causing potentially serious effects on ecosystems.

  14. Molecular Spectroscopy in Astrophysics: The Case of Polycyclic Aromatic Hydrocarbons

    NASA Technical Reports Server (NTRS)

    Salama, Farid; DeVincent, Donald L. (Technical Monitor)

    2000-01-01

    The role of molecular spectroscopy in astrophysics and astrochemistry is discussed in the context of the study of large, complex, carbon-bearing molecules, namely, Polycyclic Aromatic Hydrocarbons or PAHs. These molecular species are now thought to be widespread in the interstellar medium in their neutral and ionized forms. Identifying the carriers responsible for unidentified interstellar spectral bands will allow to derive important information on cosmic elemental abundances as well as information on the physical conditions (density, temperature) reigning in specific interstellar environments. These, in turn, are key elements for a correct understanding of the energetic mechanisms that govern the origin and the evolution of the interstellar medium. A multidisciplinary approach - combining astronomical observations with laboratory simulations and theoretical modeling - is required to address these complex issues. Laboratory spectra of several PAHs, isolated at low temperature in inert gas matrices or seeded in a supersonic jet expansion, are discussed here and compared to the astronomical spectra of reddened, early type, stars. The electronic spectroscopy of PAHs in the ultraviolet, visible, and near-infrared domains is reviewed and an assessment of the potential contribution of PAHs to the interstellar extinction in the ultraviolet and in the visible is discussed.

  15. Polycyclic aromatic hydrocarbons in household dust near diesel transport routes.

    PubMed

    Kuo, Chung-Yih; Chen, Heng-Chun; Cheng, Fang-Ching; Huang, Li-Ru; Chien, Po-Shan; Wang, Jing-Ya

    2012-02-01

    A river-dredging project has been undertaken in Nantou, Taiwan. A large number of diesel vehicles carrying gravel and sand shuttle back and forth on the main roads. Ten stations along major thoroughfares were selected as the exposure sites for testing, while a small village located about 9 km from a main traffic route was selected as the control site. Levels of household dust loading at the exposure sites (60.3 mg/m(2)) were significantly higher than those at the control site (38.2 mg/m(2)). The loading (μg/m(2)) of t-PAHs (total polycyclic aromatic hydrocarbons) in the household dust at the exposure sites was significantly higher (P < 0.05) than was the case at the control site. The diagnostic ratios of PAHs showed that diesel emissions were the dominant source of PAHs at the exposure sites. The lack of a significant correlation between the concentrations of Fe and t-PAHs suggested that the t-PAHs in household dust might come from diverse sources. However, a significant correlation (P = 0.003) between the concentrations of Mo and t-PAHs implied that the most of the t-PAHs in the household dust might have resulted from diesel emissions. The lifetime cancer risks of BaP(eq) from household dust exposure were markedly higher than those resulting from inhalation exposure. © Springer Science+Business Media B.V. 2011

  16. Polycyclic aromatic hydrocarbon ions and the diffuse interstellar bands

    NASA Technical Reports Server (NTRS)

    Salama, F.; Allamandola, L. J.

    1995-01-01

    Neutral naphthalene (C10H8), phenanthrene (C14H10), and pyrene (C16H10) absorb strongly in the ultraviolet and may contribute to the extinction curve. High abundances are required to produce detectable structures. The cations of these Polycyclic Aromatic Hydrocarbons (PAHs) absorb in the visible. C10H8(+) has 12 discrete absorption bands which fall between 6800 and 5000 A. The strongest band at 6741 A falls close to the weak 6742 A diffuse interstellar band (DIB). Five other weaker bands also match DIBs. The possibility that C10H8(+) is responsible for some of the DIBs can be tested by searching for new DIBS at 6520, 6151, and 5965 A, other moderately strong naphthalene cation band positions. If C10H8(+) is indeed responsible for the 6742 A feature, it accounts for 0.3% of the cosmic carbon. The spectrum of C16H10(+) is dominated by a strong band at 4435 A in an Ar matrix and 4395 A in a Ne matrix, a position which falls very close to the strongest DIB, that at 4430 A. If C16H10(+), or a closely related pyrene-like ion is indeed responsible for the 4430 A feature, it accounts for 0.2% of the cosmic carbon. We also report an intense, very broad UV-to-visible continuum which is associated with both ions and could explain how PAHs convert interstellar UV and visible radiation into IR.

  17. Polycyclic Aromatic Hydrocarbon Ionization Energy Lowering in Water Ices

    NASA Technical Reports Server (NTRS)

    Gudipati, Murthy S.; Allamandola, Louis J.

    2004-01-01

    In studying various interstellar and solar system ice analogs, we have recently found that upon vacuum ultraviolet photolysis, polycyclic aromatic hydrocarbons (PAHs) frozen in water ice at low temperatures are easily ionized and indefinitely stabilized as trapped ions (Gudipati; Gudipati & Allamandola). Here we report the first experimental study that shows that PAH ionization energy is significantly lowered in PAH/H2O ices, in agreement with recent theoretical work (Woon & Park). The ionization energy (IE) of the PAH studied here, quaterrylene (C40H20, IE = 6.11 eV), is lowered by up to 2.11 eV in water ice. PAH ionization energy reduction in low-temperature water ice substantially expands the astronomical regions in which trapped ions and electrons may be important. This reduction in ionization energy should also hold for other types of trapped species in waterrich interstellar, circumstellar, and solar system ices. Subject headings: ISM: clouds - methods: laboratory - molecular processes - radiation mechanisms: nonthermal -ultraviolet: ISM - ultraviolet: solar system

  18. Cardiac Autonomic Dysfunction from Occupational Exposure to Polycyclic Aromatic Hydrocarbons

    PubMed Central

    Lee, Mi-Sun; Magari, Shannon; Christiani, David C.

    2013-01-01

    Objectives Polycyclic aromatic hydrocarbons (PAHs) exposures have been associated with cardiopulmonary mortality and cardiovascular events. This study investigated the association between a biological marker of PAHs exposure, assessed by urinary 1-hydroxypyrene (1-OHP), and heart rate variability (HRV) in an occupational cohort of boilermakers. Methods Continuous 24-hour monitoring of the ambulatory electrocardiogram (ECG) and pre and post shift urinary 1-OHP were repeated over extended periods of the work week. Mixed effects models were fit for the 5-minute standard deviation of normal-to-normal intervals (SDNN) in relation to urinary 1-OHP levels pre and post workshift on the day they wore the monitor, controlling for potential confounders. Results We found a significant decrease in 5-min SDNN during work of −13.6% (95% confidence interval, −17.2% to −9.8%) for every standard deviation (0.53 microgram/gram [μg/g] creatinine) increase in the next-morning pre-shift 1-OHP levels. The magnitude of reduction in 5-min SDNN were largest during the late night period after work and increased with every standard deviation (0.46 μg/g creatinine) increase in post-shift 1-OHP levels. Conclusion This is the first report providing evidence that occupational exposure to PAHs is associated with altered cardiac autonomic function. Acute exposure to PAHs may be an important predictor of cardiovascular disease risk in the work environment. PMID:21172795

  19. A critical review of polycyclic aromatic hydrocarbon phototoxicity models.

    PubMed

    Marzooghi, Solmaz; Di Toro, Dominic M

    2016-12-24

    Polycyclic aromatic hydrocarbons (PAHs) are known to exhibit photo-induced toxicity. Hundreds to thousands of PAH parent and substituted compounds are found in the environment, and developing a predictive model applicable to a wide variety of PAHs and organisms is a necessary precursor to environmental risk assessments. There has been evolutionary progress in phototoxicity modeling since 1977. In the present study, a comprehensive review of the models developed to predict phototoxicity of PAHs is presented. The contributions of each of the models to the state of the art are discussed. The models are compared in terms of their scope of applicability to different organisms, PAHs, endpoints (median lethal time and median lethal concentration), and light conditions. The current state of the science that accounts for the key elements of phototoxicity modeling, including the differences in species sensitivity, the partitioning of PAHs into the target lipid of the organisms, and light absorption by the chemicals, as well as light exposure time and conditions, is discussed. In addition, the remaining issues that need to be addressed are explored: the effect of time-varying exposures to light and PAH concentrations, and the lack of a mechanistic understanding that can explain the failure of the Bunsen-Roscoe law of reciprocity. Environ Toxicol Chem 2016;9999:1-11. © 2016 SETAC.

  20. Fugacity analysis of polycyclic aromatic hydrocarbons between microplastics and seawater

    NASA Astrophysics Data System (ADS)

    Lee, Hwang; Chang, Sein; Kim, Seung-Kyu; Kwon, Jung-Hwan

    2017-03-01

    Recently, the accumulation of plastic debris in the marine environment has become a great concern worldwide. Although plastics are biologically and chemically inert, plastic debris has been suspected of causing adverse effects on ecosystems due to the increase in reactivity by size reduction and/or micropollutants associated with plastics. Because of the high sorption capacity of microplastics toward organic micropollutants, it is suspected that microplastics may play roles in the distribution and fate of micropollutants. In order to quantitatively evaluate the "net flow" of environmental contaminants in water-plastic-organism systems, a fugacity analysis was conducted using concentrations of polycyclic aromatic hydrocarbons (PAHs) in open oceans and in polyethylene as a representative material of plastic debris. Ratio of fugacity in polyethylene to that in seawater showed a decreasing trend with increasing partition coefficient between polyethylene and seawater (KPE/sw). This indicates that phase equilibrium between polyethylene and seawater is not attained for higher molecular weight PAHs. Disequilibrium of high molecular weight PAHs suggests that transfer from seawater to plastic debris is thermodynamically driven and the role of plastic debris as a vector to transfer them to living organisms would be minimal. However, additives may slowly migrate from plastics into the environment causing potentially serious effects on ecosystems.

  1. [Comparison of polycyclic aromatic hydrocarbons (PAHS) contents in bakery products].

    PubMed

    Ciemniak, Artur; Witczak, Agata

    2010-01-01

    Polycyclic aromatic hydrocarbons are a group of well-known chemical carcinogens with a wide distribution in the environment and formed by the incomplete combustion of organic substances. PAHs have attracted most attention because of their carcinogenic potential. PAHs have been found as contaminants in different food categories such as dairy products, smoked and barbecued meat, vegetables, fruits, oils, coffee, tea, and cereals. Processing of food at high temperatures increases the amount of PAHs in the food Diet is the major source of human exposure to PAHs. The major dietary source of PAH are oils and fats, cereals products and vegetables. The aims of this study were to determine the content levels of 23 PAHs in various sorts of bread. The analytical procedure was based Soxhlet extraction with n--hexane and cleaned up in aflorisil cartridge. Chromatographic separation was performed using gas chromatography (HP 6890) coupled to mass spectrometry (HP 5973). The total concentration of PAHs was low end varied between 2.61 microg/kg to 43.4 microg/kg. Furthermore, the results revealed differences in concentrations of PAHs between rind and bread-crumb.

  2. Polycyclic Aromatic Hydrocarbons Transformations in an Urban Fog

    NASA Astrophysics Data System (ADS)

    Valsaraj, K.; Wornat, M. J.; Chen, J.; Ehrenhauser, F.

    2010-07-01

    Polycyclic aromatic hydrocarbons (PAHs) are generated from incomplete combustion of fuels, coal-fired power plants and other anthropogenic activities. These are ubiquitous in all environments, especially the atmosphere. PAHs generally are found in the gaseous form and associated with the particles in the atmosphere. They are also found in the atmospheric water present in the form of fog, mist, rain, snow and ice. Particles (aerosols) in the atmosphere invariably contain a thin film of water which tends to have a high affinity for the adsorption of gaseous PAHs. Molecular dynamic simulations clearly show that the air-water interface is a preferable surface for adsorption of large molecular weight PAHs and atmospheric oxidants (e.g., O3, OH, 1O2, NO3). Thus, photochemical transformation of adsorbed PAHs in fog droplets is a possibility in the atmosphere. This could lead to the formation of water-soluble oxy-PAHs which are potential precursors for secondary organic aerosols (SOAs). Field work in Baton Rouge and Houston combined with laboratory work in thin film reactors have shown that this hypothesis is substantially correct. Field data on fog and aerosols (pre- and post-fog) will be enumerated. Laboratory work and their implications will be summarized. The thin film surface environment resulted in enhanced reaction kinetics compared to bulk phase kinetics. The influence of surface reactions on the product compositions is evaluated by performing experiments with different film thicknesses.

  3. Genotoxicity of model and complex mixtures of polycyclic aromatic hydrocarbons

    SciTech Connect

    Donnelly, K.C.; Phillips, T.D.; Onufrock, A.M.; Collie, S.L.; Huebner, H.J.; Washburn, K.S.

    1996-12-31

    Polycyclic aromatic hydrocarbons (PAHs) are one of the most ubiquitous classes of environmental carcinogens; however, limited information is available to describe their potential genotoxic interactions. This manuscript reports on the interactions of PAHs in complex mixtures as determined in microbial mutagenicity assays. Samples analyzed included separate 2-, 3-, and 4-ring PAH individual model fractions (IMFs) constructed to simulate the composition of a model coal tar. These were tested individually and in various combinations, including a reconstituted model fraction (RMF) composed of all three IMFs. A solvent extract of coal tar and a benzo(a)pyrene-amended extract of coal tar were also tested. The maximum mutagenic response of 1,089 revertants was induced by the RMF at a dose of 90 {micro}g/plate with metabolic activation. At the four lowest dose levels, the response observed in the RMF sample was increased when compared to the 4-ring-IMF sample alone. However, the response observed with the RMF sample at the highest dose tested was less than was observed in the 4-ring-IMF sample tested independently. When IMF samples were combined or mixed with individual chemicals, some inhibition was observed. These data indicate that mixtures of PAHs can exhibit a variety of mutagenic interactions controlled by both the metabolism of the PAHs and by their concentration in the mixture.

  4. Polycyclic aromatic hydrocarbons: levels and phase distributions in preschool microenvironment.

    PubMed

    Oliveira, M; Slezakova, K; Delerue-Matos, C; Pereira, M C; Morais, S

    2015-10-01

    This work aims to characterize levels and phase distribution of polycyclic aromatic hydrocarbons (PAHs) in indoor air of preschool environment and to assess the impact of outdoor PAH emissions to indoor environment. Gaseous and particulate (PM1 and PM(2.5)) PAHs (16 USEPA priority pollutants, plus dibenzo[a,l]pyrene, and benzo[j]fluoranthene) were concurrently sampled indoors and outdoors in one urban preschool located in north of Portugal for 35 days. The total concentration of 18 PAHs (ΣPAHs) in indoor air ranged from 19.5 to 82.0 ng/m(3) ; gaseous compounds (range of 14.1-66.1 ng/m(3)) accounted for 85% ΣPAHs. Particulate PAHs (range 0.7-15.9 ng/m(3)) were predominantly associated with PM1 (76% particulate ΣPAHs) with 5-ring PAHs being the most abundant. Mean indoor/outdoor ratios (I/O) of individual PAHs indicated that outdoor emissions significantly contributed to PAH indoors; emissions from motor vehicles and fuel burning were the major sources. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  5. Polycyclic aromatic hydrocarbon adsorption on selected solid particulate matter fractions

    NASA Astrophysics Data System (ADS)

    Bozek, Frantisek; Huzlik, Jiri; Pawelczyk, Adam; Hoza, Ignac; Naplavova, Magdalena; Jedlicka, Jiri

    2016-02-01

    This article is directed to evaluating the proportion of polycyclic aromatic hydrocarbons (PAHs) captured on particulate matter (PM) classified as PM2.5-10 and PM2.5, i.e. particulate matter of aerodynamic diameter 2.5-10 μm and 2.5 μm. During three week-long and one 2-day campaigns, 22 paired air samples were taken in parallel of PM10 and PM2.5 fractions inside the Mrázovka tunnel in Prague, Czech Republic. Following sample preparation, concentrations of individual PAHs were determined using gas chromatography combined with mass spectrometry. Concentrations of individual pairs of each PAH were tested by the nonparametric method using Spearman's rank correlation coefficient. At significance level p < 0.01, it was demonstrated that all individual PAHs, including their totals, were bound to the PM2.5 fraction. Exceptions were seen in the cases of acenaphthylene, acenaphthene, and indeno[1,2,3-cd]pyrene, the concentrations of which fluctuated around the detection limit, where increased measurement error can be expected.

  6. Polycyclic Aromatic Hydrocarbons in drinking water of Tehran, Iran

    PubMed Central

    2013-01-01

    Distribution and seasonal variation of sixteen priority polycyclic aromatic hydrocarbons (PAHs) were investigated in the drinking water of Tehran, the capital of Iran. Detected single and total PAHs concentrations were in the range of 2.01-38.96 and 32.45-733.10 ng/L, respectively, which were quite high compared to the values recorded in other areas of the world. The average occurrence of PAHs with high molecular weights was 79.55%; for example, chrysene occurred in 60.6% of the samples, with a maximum concentration of 438.96 ng/L. In addition, mean carcinogen to non-carcinogen PAHs ratio was 63.84. Although the concentration of benzo[a]pyrene, as an indicator of water pollution to PAHs, was lower than the guideline value proposed by World Health Organization (WHO) as well as that of Iranian National Drinking Water Standards for all of the samples, the obtained results indicated that carcinogen PAHs present in the drinking water of Tehran can cause threats to human health. PMID:24499505

  7. Polycyclic aromatic hydrocarbons and pesticides in milk powder.

    PubMed

    Dobrinas, Simona; Soceanu, Alina; Popescu, Viorica; Coatu, Valentina

    2016-05-01

    This Research Communication reports analysis of 37 compounds comprising polycyclic aromatic hydrocarbons (PAHs), organochlorine and organophosphate pesticides (OCPS and OPPS) in milk powder (one brand each of commercial infant formulae, follow-on formulae and baby formulae purchased from a local supermarket in Romania). The selected analytes were investigated using gas chromatography-mass spectrometry (GC-MS), gas chromatography with electron capture detector (GC-ECD) and gas chromatography with thermionic sensitive detection (GC-TSD). The estimated limits of detection for most target analytes were in the μg/kg level (range 0·001-0·320 µg/kg). The purpose of the study was to determine the selected analytes, to assess the exposure of babies and infants and to produce data for comparison with tolerable limits according to the European Union Regulations. In most of the samples the organochlorine pesticides values were under the limit of detection. Exceptions were heptachlor epoxide and endosulfan sulphate, the last of which was found in all analysed samples at low concentrations. We also found detectable levels of ethoprophos, parathion-methyl, chlorpyrifos, prothiofos, guthion, disulfoton and fenchlorphos in most of the analysed samples. Benzo[a]pyrene, which is used as an indicator for the presence of PAHs, was not detected in selected samples. The low level of exposure to contaminants indicates that there are no health risks for the infants and babies that consume this brand of milk powder formulae.

  8. Sources of polycyclic aromatic hydrocarbons to the Hudson River Airshed

    NASA Astrophysics Data System (ADS)

    Lee, Jong Hoon; Gigliotti, Cari L.; Offenberg, John H.; Eisenreich, Steven J.; Turpin, Barbara J.

    2004-11-01

    Sources of polycyclic aromatic hydrocarbons (PAHs) to the Hudson River Estuary Airshed were investigated using positive matrix factorization (PMF). A three-city dataset was used to obtain common factor profiles. The contributions of each factor on each sampling day and site were then determined, and a sensitivity analysis was conducted. A stable eight-factor solution was identified. PMF was able to identify a factor associated with air-surface exchange. This factor contains low-molecular weight PAHs and was a dominant contributor to the measured PAHs concentrations. Factors linked to motor vehicle use (diesel and gasoline vehicle emissions and evaporative/uncombusted petroleum) and natural gas combustion were also major contributors. Motor vehicle combustion and oil combustion factors were the predominant contributors to particle-phase PAHs, while natural gas combustion, air-surface exchange, and evaporative/uncombusted petroleum factors made substantial contributions to gas-phase PAH concentrations. In contrast to fine particulate matter (PM2.5), which is dominated by regional transport, spatial variations in PAH concentrations suggest that PAH concentrations in the Hudson River Estuary Airshed are dominated by sources within the New York-New Jersey urban-industrial complex.

  9. Polycyclic Aromatic Hydrocarbons as Star Formation Rate Indicators

    NASA Astrophysics Data System (ADS)

    Calzetti, D.

    2011-03-01

    As images and spectra from ISO and Spitzer have provided increasingly higher-fidelity representations of the mid-infrared (MIR) and Polycyclic Aromatic Hydrocarbon (PAH) emission from galaxies and galactic and extra-galactic regions, more systematic efforts have been devoted to establishing whether the emission in this wavelength region can be used as a reliable star formation rate indicator. This has also been in response to the extensive surveys of distant galaxies that have accumulated during the cold phase of the Spitzer Space Telescope. Results so far have been somewhat contradictory, reflecting the complex nature of the PAHs and of the mid-infrared-emitting dust in general. The two main problems faced when attempting to define a star formation rate indicator based on the mid-infrared emission from galaxies and star-forming regions are: (1) the strong dependence of the PAH emission on metallicity; (2) the heating of the PAH dust by evolved stellar populations unrelated to the current star formation. I review the status of the field, with a specific focus on these two problems, and will try to quantify the impact of each on calibrations of the mid-infrared emission as a star formation rate indicator.

  10. Polycyclic aromatic hydrocarbons and metals in snow along a highway.

    PubMed

    Reinosdotter, K; Viklander, M; Malmqvist, P A

    2006-01-01

    Snow quality and its variations due to distance from the road were studied. Also, how the snow quality changes over time during the melting period was discussed. Snow samples were collected at three occasions during the winter of 2004. The samples were taken along a highway in the Luleå region, Sweden, with an average daily traffic load of 9200 vehicles. Snow samples were taken perpendicular to the road and at different distances. The snow samples were analysed for metals and polycyclic aromatic hydrocarbons (PAH). Also, weather parameters such as temperature, precipitation, and wind speed and wind direction were measured. The highest total metal and PAH concentrations were found at the sample site closest to the road and at the end of the season. Before the melting period started, 42-57% of the total amount of metals and PAH were found in the first 1 m of the snow pack. This information could be valuable when one is discussing how to achieve sustainable snow-handling management.

  11. Outflow of polycyclic aromatic hydrocarbons from Guangdong, southern China.

    PubMed

    Lang, Chang; Tao, Shu; Zhang, Gang; Fu, Jiamo; Simonich, Staci

    2007-12-15

    The atmospheric outflow of polycyclic aromatic hydrocarbons (PAHs) from Guangdong, China, a region of high PAH emission, was modeled using a potential receptor influence function (PRIF) probabilistic model which was based on a spatially resolved PAH inventory and air mass forward-trajectory calculations. Photochemical degradation and deposition (dry and wet) of PAHs during atmospheric transport were taken into consideration. On average, 48% of the PAHs (by mass) remained in the atmosphere for a transport period of 5 days, staying within the boundary of the source region. The medium molecular weight PAHs (four rings) were predicted to travel longer distances in the atmosphere than the low (three rings) or high molecular weight PAHs (five rings) because they are less photodegradable than the lower molecular weight, gas-phase PAHs and less likelyto undergo wet and dry depositions than the higher molecular weight, particulate phase PAHs. Under the strong influence of the East Asian monsoons in winter, the predominant outflow pattern of PAHs from Guangdong was to the South China Sea and Southeast Asian countries. In summer, PAHs were transported primarily to northern mainland China. Under particular weather conditions in winter, the PAH-containing air masses were lifted by cold fronts or convection and transported toward the Pacific Ocean by westerly winds. In addition to the distinct seasonality in PAH dispersion and outflow, interannual long-term variation in the outflow is likely influenced by El Niño and southern oscillation.

  12. Bioaccessibility of polycyclic aromatic hydrocarbons: relevance to toxicity and carcinogenesis

    PubMed Central

    Harris, Kelly L; Banks, Leah D; Mantey, Jane A; Huderson, Ashley C; Ramesh, Aramandla

    2014-01-01

    Introduction Bioaccessibility is a growing area of research in the field of risk assessment. As polycyclic aromatic hydrocarbons (PAHs) are ubiquitous environmental pollutants, they are the toxicants of focus to establish cancer risks in humans. Orally ingested PAHs also cause toxicity and even affect the pharmacokinetic behavior of some therapeutic agents. Toward this end, bioaccessibility is being used as a tool to assess the risk of PAHs via dietary exposures. Areas covered This review covers some in vitro bioaccessibility models for PAHs that have been used for the past one-and-a-half decade. This review also considers the factors that influence bioaccessibility and debates the merits and limitations of using a bioaccessibility concept for estimating risk from ingestion of PAH-contaminated soil and food. Finally, the authors discuss the implications of bioaccessibility for PAH-induced toxicity and cancers in the context of risk assessment. Expert opinion So far, much of the focus on PAH bioaccessibility is centered on soil as a preferential matrix. However, ingestion of PAHs through diet far exceeds the amount accidentally ingested through soil. Therefore, bioaccessibility could be exploited as a tool to assess the relative risk of various dietary ingredients tainted with PAHs. While bioaccessibility is a promising approach for assessing PAH risk arising from various types of contaminated soils, none of the models proposed appears to be valid. Bioaccessibility values, derived from in vitro studies, still require validation from in vivo studies. PMID:23898780

  13. Atmospheric polycyclic aromatic hydrocarbons: Source attribution, emission factors and regulation

    NASA Astrophysics Data System (ADS)

    Ravindra, Khaiwal; Sokhi, Ranjeet; Van Grieken, René

    There is an increasing concern about the occurrence of polycyclic aromatic hydrocarbons (PAHs) in the environment as they are ubiquitous in ambient air and some of them are among the strongest known carcinogens. PAHs and their derivatives are produced by the incomplete combustion of organic material arising, partly, from natural combustion such as forest and volcanic eruption, but with the majority due to anthropogenic emissions. The PAH concentration varies significantly in various rural and urban environments and is mainly influenced by vehicular and domestic emissions. The review serves as a database to identify and characterize the emission sources of PAHs and hence various approaches including diagnostic ratio (DR) and principal component analysis (PCA) are discussed in detail. These approaches allow individual PAHs to be associated with their origin sources. The factors that effect PAH emission and estimated emission rate are also discussed in this paper. Although the levels of low molecular weight PAHs are high in vapor phase, most of the probable human carcinogenic PAHs are found to be associated with particulate matter, especially in fine mode particles in ambient air. Many countries have proposed a non-mandatory concentration limit for PAHs, whereas the health risk studies conducted in relation to PAH exposure, urge that these pollutants should be given a high priority when considering air quality management and reduction of impacts.

  14. Vibrational spectroscopic study of vinyl substituted polycyclic aromatic hydrocarbons.

    PubMed

    Maurya, Anju; Rastogi, Shantanu

    2015-12-05

    The mid infrared emission features observed in various astrophysical sources are attributed to polycyclic aromatic hydrocarbon (PAH) molecules. The models of emission spectra from a collection of PAHs show uncertainty in matching the 6.2 μm feature. This indicates the need to consider a larger variety of PAHs and PAH derivatives. Chemical pathways towards formation of PAHs in the astrophysical environments involve vinyl substituted PAHs as intermediate products. Vibrational spectroscopic study of vinyl-PAHs is reported in the present work. The vinyl group is substituted at similar positions in eight different PAHs. The obtained optimized structures show that vinyl substitution at 2 position in acenes gives planar geometry, while all other vinyl-PAHs are non-planar. Infrared spectra is simulated for neutrals as well as for cations. The results are compared with the spectra of corresponding plain PAHs and analyzed for possible match with astrophysical observations. New features, due to vinyl group in the composite spectra, identified at 6.64, 6.92, 7.27, 8.77 and 10.35 μm fall close to some sub features of the observed emission spectra. The paper provides data that may be used in the emission models particularly along proto planetary nebulae type cool objects. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Distribution of polycyclic aromatic hydrocarbons in coke plant wastewater.

    PubMed

    Burmistrz, Piotr; Burmistrz, Michał

    2013-01-01

    The subject of examinations presented in this paper is the distribution of polycyclic aromatic hydrocarbons (PAHs) between solid and liquid phases in samples of raw wastewater and wastewater after treatment. The content of 16 PAHs according to the US EPA was determined in the samples of coke plant wastewater from the Zdzieszowice Coke Plant, Poland. The samples contained raw wastewater, wastewater after physico-chemical treatment as well as after biological treatment. The ΣPHA16 content varied between 255.050 μg L(-1) and 311.907 μg L(-1) in raw wastewater and between 0.940 and 4.465 μg L(-1) in wastewater after full treatment. Investigation of the distribution of PAHs showed that 71-84% of these compounds is adsorbed on the surface of suspended solids and 16-29% is dissolved in water. Distribution of individual PAHs and ΣPHA16 between solid phase and liquid phase was described with the use of statistically significant, linear equations. The calculated values of the partitioning coefficient Kp changed from 0.99 to 7.90 for naphthalene in samples containing mineral-organic suspension and acenaphthylene in samples with biological activated sludge, respectively.

  16. Particle-bound polycyclic aromatic hydrocarbon concentrations in transportation microenvironments

    NASA Astrophysics Data System (ADS)

    Houston, Douglas; Wu, Jun; Yang, Dongwoo; Jaimes, Guillermo

    2013-06-01

    This study is one of the first case studies to characterize the exposure of urban residents to traffic-related air pollution across locations and transportation microenvironments during everyday activities. Twenty-four adult residents of Boyle Heights, a neighborhood near downtown Los Angeles, carried a portable air pollution monitor and a Global Positioning Systems (GPS) tracking device for a total of 96 days. We found significant spatial and temporal variation in the particle-bound polycyclic aromatic hydrocarbon (pPAH) concentrations in transportation microenvironments. Average pPAH concentrations were higher while walking outdoors (190 ng m-3) compared to traveling in private passenger vehicles (138-155 ng m-3) or traveling in public transportation (61-124 ng m-3). Although travel comprised 5% of participant days, it was associated with 27% of overall daily pPAH exposure. Regression models explained 40-55% of the variation in daily average pPAH concentrations, and 40-44% of the variation in 1-min interval concentrations. Important factors included time spent traveling, travel speed, meteorological and nearby land use factors, time of day, and proximity to roadways. Although future research is needed to develop stronger predictive models, our study demonstrates portable tracking devices can provide a more complete, diurnal characterization of air pollution exposures for urban populations.

  17. Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons under Interstellar Conditions

    NASA Technical Reports Server (NTRS)

    Stone, Bradley M.

    1996-01-01

    The presence and importance of polycyclic aromatic hydrocarbons (PAHs, a large family of organic compounds containing carbon and hydrogen) in the interstellar medium has already been well established. The Astrochemistry Laboratory at NASA Ames Research Center (under the direction of Louis Allamandola and Scott Sandford) has been the center of pioneering work in performing spectroscopy on these molecules under simulated interstellar conditions, and consequently in the identification of these species in the interstellar medium by comparison to astronomically obtained spectra. My project this summer was twofold: (1) We planned on obtaining absorption spectra of a number of PAHs and their cations in cold (4K) Ne matrices. The purpose of these experiments was to increase the number of different PAHs for which laboratory spectra have been obtained under these simulated interstellar conditions; and (2) I was to continue the planning and design of a new laser facility that is being established in the Astrochemistry laboratory. The laser-based experimental set-up will greatly enhance our capability in examining this astrophysically important class of compounds.

  18. Isoxazolidinyl polycyclic aromatic hydrocarbons as DNA-intercalating antitumor agents.

    PubMed

    Rescifina, Antonio; Chiacchio, Ugo; Corsaro, Antonino; Piperno, Anna; Romeo, Roberto

    2011-01-01

    The second generation and an isosteric series of isoxazolidinyl polycyclic aromatic hydrocarbons, as DNA-intercalator agents designed to act on remotely implanted tumors, have been synthesized in good yields according to the 1,3-dipolar cycloaddition methodology. The structure of the obtained cycloadducts has been determined by NOE experiments and supported by computational studies at PM3 level. The utility of this new template in the synthesis of structures designed to capitalize on its intercalative properties has been examined. All the obtained compounds have been tested for their in vitro cytotoxic activity and the most potent of them showed an IC(50) of 9 μM upon the human lung cancer (A-549) cell and a binding constant, for the intercalation with calf thymus DNA, of 9.6 × 10(4) M(-1). Biological and docking studies showed that these compounds complex exclusively by intercalation between base pairs, approaching the DNA from its minor groove, with a neat selectivity for the AT or GC nucleobases. Copyright © 2010 Elsevier Masson SAS. All rights reserved.

  19. Novel isoxazole polycyclic aromatic hydrocarbons as DNA-intercalating agents.

    PubMed

    Rescifina, Antonio; Varrica, Maria Giulia; Carnovale, Caterina; Romeo, Giovanni; Chiacchio, Ugo

    2012-05-01

    The third generation of isoxazole polycyclic aromatic hydrocarbons, acting as DNA-intercalator agents and possessing the binding constants in the range 10(4)-10(5) M(-1), in order to easily diffuse targeting remotely implanted tumors, has been synthesized in good yields according to the 1,3-dipolar cycloaddition methodology. The structure of the obtained cycloadducts has been determined by NOE experiments and supported by computational studies at PM3 level. All the obtained compounds have been tested for their in vitro cytotoxic activity and the most potent of them, (3RS,5SR)-2-benzyl-N,N-dimethyl-3-(pyren-1-yl)isoxazolidine-5-carboxamide (7d), showed an IC(50) of 4 μM upon the human lung cancer (A-549) cells. Moreover, compound 7d showed binding constant for the intercalation with calf thymus DNA, poly-d(AT)(2) and poly-d(GC)(2) of 1.7 × 10(5) M(-1), 1.6 × 10(5) M(-1) and 0.3 × 10(5) M(-1), respectively. Biological and docking studies showed that, in vitro, these compounds complex by intercalation between base pairs, approaching the DNA from its minor groove with a preference for the AT nucleobases pairs. Copyright © 2012 Elsevier Masson SAS. All rights reserved.

  20. New insights into thermal decomposition of polycyclic aromatic hydrocarbon oxyradicals.

    PubMed

    Liu, Peng; Lin, He; Yang, Yang; Shao, Can; Gu, Chen; Huang, Zhen

    2014-12-04

    Thermal decompositions of polycyclic aromatic hydrocarbon (PAH) oxyradicals on various surface sites including five-membered ring, free-edge, zigzag, and armchair have been systematically investigated by using ab initio density functional theory B3LYP/6-311+G(d,p) basis set. The calculation based on Hückel theory indicates that PAHs (3H-cydopenta[a]anthracene oxyradical) with oxyradicals on a five-membered ring site have high chemical reactivity. The rate coefficients of PAH oxyradical decomposition were evaluated by using Rice-Ramsperger-Kassel-Marcus theory and solving the master equations in the temperature range of 1500-2500 K and the pressure range of 0.1-10 atm. The kinetic calculations revealed that the rate coefficients of PAH oxyradical decomposition are temperature-, pressure-, and surface site-dependent, and the oxyradical on a five-membered ring is easier to decompose than that on a six-membered ring. Four-membered rings were found in decomposition of the five-membered ring, and a new reaction channel of PAH evolution involving four-membered rings is recommended.

  1. Polycyclic aromatic hydrocarbons in stormwater runoff from sealcoated pavements.

    PubMed

    Watts, Alison W; Ballestero, Thomas P; Roseen, Robert M; Houle, James P

    2010-12-01

    Coal-tar based sealcoat has been identified as a source of polycyclic aromatic hydrocarbons (PAHs) in the environment. This study measured the long-term release of PAHs in parking lot runoff and found that the presence of coal tar sealant increased the mass of PAHs released in runoff by over an order of magnitude. PAH concentrations in stormwater from two coal tar sealed parking lots and one unsealed parking lot (control) were monitored over a two-year period. The measured flow volume and concentrations were used to calculate a mass of 9.8-10.8 kg total Σ16 PAHs per hectare exported in stormwater runoff from the two sealed parking lots and 0.34 kg total Σ16 PAHs per hectare from the unsealed control. The study also measured sediment PAH concentration changes in a receiving drainage and found that even partial coverage of a drainage area by coal tar sealant resulted in measurable increases in PAH sediment concentrations; PAH concentrations in sediment in a stormwater swale receiving runoff from both sealed and unsealed lots increased near the outfall from less than 4 mg/kg prior to sealing to 95.7 mg/kg after sealing. Compound ratio plots and principal components analysis were examined and were able to clearly differentiate between pre- and postsealant samples.

  2. Fullerenes, fulleranes and polycyclic aromatic hydrocarbons in the Allende meteorite

    NASA Technical Reports Server (NTRS)

    Becker, L.; Bunch, T. E.

    1997-01-01

    In this paper, we confirm our earlier observations of fullerenes (C60 and C70) in the Allende meteorite (Becker et al., 1994a, 1995). Fullerene C60 was also detected in two separate C-rich (approximately 0.5-1.0%) dark inclusions (Heymann et al., 1987) that were hand picked from the Allende sample. The amounts of C60 detected were approximately 5 and approximately 10 ppb, respectively, which is considerably less than what was detected in the Allende 15/21 sample (approximately 100 ppb; Becker et al., 1994a, 1995). This suggests that fullerenes are heterogeneously distributed in the meteorite. In addition, we present evidence for fulleranes, (C60Hx), detected in separate samples by laser desorption (reflectron) time-of-flight (TOF) mass spectrometry (LDMS). The LDMS spectra for the Allende extracts were remarkably similar to the spectra generated for the synthetic fullerane mixtures. Several fullerane products were synthesized using a Rh catalyst (Becker et al., 1993a) and separated using high-performance liquid chromatography (HPLC). Polycyclic aromatic hydrocarbons (PAHs) were also observed ppm levels) that included benzofluoranthene and corannulene, a cup-shaped molecule that has been proposed as a precursor molecule to the formation of fullerenes in the gas phase (Pope et al., 1993).

  3. Identifying risk sources of air contamination by polycyclic aromatic hydrocarbons.

    PubMed

    Huzlik, Jiri; Bozek, Frantisek; Pawelczyk, Adam; Licbinsky, Roman; Naplavova, Magdalena; Pondelicek, Michael

    2017-09-01

    This article is directed to determining concentrations of polycyclic aromatic hydrocarbons (PAHs), which are sorbed to solid particles in the air. Pollution sources were identified on the basis of the ratio of benzo[ghi]perylene (BghiPe) to benzo[a]pyrene (BaP). Because various important information is lost by determining the simple ratio of concentrations, least squares linear regression (classic ordinary least squares regression), reduced major axis, orthogonal regression, and Kendall-Theil robust diagnostics were utilized for identification. Statistical evaluation using all aforementioned methods demonstrated different ratios of the monitored PAHs in the intervals examined during warmer and colder periods. Analogous outputs were provided by comparing gradients of the emission factors acquired from the measured concentrations of BghiPe and BaP in motor vehicle exhaust gases. Based on these outputs, it was possible plausibly to state that the influence of burning organic fuels in heating stoves is prevalent in colder periods whereas in warmer periods transport was the exclusive source because other sources of PAH emissions were not found in the examined locations. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Polycyclic aromatic hydrocarbon ions and the diffuse interstellar bands

    NASA Technical Reports Server (NTRS)

    Salama, F.; Allamandola, L. J.

    1995-01-01

    Neutral naphthalene (C10H8), phenanthrene (C14H10), and pyrene (C16H10) absorb strongly in the ultraviolet and may contribute to the extinction curve. High abundances are required to produce detectable structures. The cations of these Polycyclic Aromatic Hydrocarbons (PAHs) absorb in the visible. C10H8(+) has 12 discrete absorption bands which fall between 6800 and 5000 A. The strongest band at 6741 A falls close to the weak 6742 A diffuse interstellar band (DIB). Five other weaker bands also match DIBs. The possibility that C10H8(+) is responsible for some of the DIBs can be tested by searching for new DIBS at 6520, 6151, and 5965 A, other moderately strong naphthalene cation band positions. If C10H8(+) is indeed responsible for the 6742 A feature, it accounts for 0.3% of the cosmic carbon. The spectrum of C16H10(+) is dominated by a strong band at 4435 A in an Ar matrix and 4395 A in a Ne matrix, a position which falls very close to the strongest DIB, that at 4430 A. If C16H10(+), or a closely related pyrene-like ion is indeed responsible for the 4430 A feature, it accounts for 0.2% of the cosmic carbon. We also report an intense, very broad UV-to-visible continuum which is associated with both ions and could explain how PAHs convert interstellar UV and visible radiation into IR.

  5. Measurement of polycyclic aromatic hydrocarbon (PAHs) in interplanetary dust particles

    NASA Technical Reports Server (NTRS)

    Clemett, S. J.; Maechling, C. R.; Zare, R. N.; Swan, P. D.; Walker, R. M.

    1993-01-01

    We report here the first definitive measurements of specific organic molecules (polycyclic aromatic hydrocarbons (PAH's)) in interplanetary dust particles (IDP's). An improved version of the microbeam-two-step laser mass spectrometer was used for the analysis. Two IDP's gave similar mass spectra showing an abundance of PAH's. Control samples, including particles of probable terrestrial origin from the same stratospheric collector, gave either null results or quite different spectra. We conclude that the PAH's are probably indigenous to the IDP's and are not terrestrial contaminants. The instrument used to study the particles is a two-step laser mass spectrometer. Constituent neutral molecules of the sample are first desorbed with a pulsed infrared laser beam focussed to 40 micrometers. In the second step, PAH's in the desorbed plume are preferentially ionized by a pulsed UV laser beam. Resulting ions produced by resonant absorption are extracted into a reflectron time-of-flight mass spectrometer. This instrument has high spatial resolution, high ion transmission, unlimited mass range, and multichannel detection of all ion masses from a single laser shot.

  6. Polycyclic aromatic hydrocarbons (PAHs) removal by sorption: A review.

    PubMed

    Lamichhane, Shanti; Bal Krishna, K C; Sarukkalige, Ranjan

    2016-04-01

    Polycyclic aromatic hydrocarbons (PAHs) are organic micro pollutants which are persistent compounds in the environment due to their hydrophobic nature. Concerns over their adverse effects in human health and environment have resulted in extensive studies on various types of PAHs removal methods. Sorption is one of the widely used methods as PAHs possess a great sorptive ability into the solid media and their low aqueous solubility property. Several adsorbent media such as activated carbon, biochar, modified clay minerals have been largely used to remove PAHs from aqueous solution and to immobilise PAHs in the contaminated soils. According to the past studies, very high removal efficiency could be achieved using the adsorbents such as removal efficiency of activated carbon, biochar and modified clay mineral were 100%, 98.6% and >99%, respectively. PAHs removal efficiency or adsorption/absorption capacity largely depends on several parameters such as particle size of the adsorbent, pH, temperature, solubility, salinity including the production process of adsorbents. Although many studies have been carried out to remove PAHs using the sorption process, the findings have not been consolidated which potentially hinder to get the correct information for future study and to design the sorption method to remove PAHs. Therefore, this paper summarized the adsorbent media which have been used to remove PAHs especially from aqueous solutions including the factor affecting the sorption process reported in 142 literature published between 1934 and 2015.

  7. Association of polycyclic aromatic hydrocarbons in housewives' hair with hypertension.

    PubMed

    Wang, Bin; Li, Zhiwen; Ma, Yiqiu; Qiu, Xinghua; Ren, Aiguo

    2016-06-01

    The relationship between polycyclic aromatic hydrocarbons (PAHs) and hypertension remains a subject of debate. The aims of this study were to determine an association of concentrations of PAHs in housewives' hair with hypertension risk and the modification effect of single nucleotide polymorphisms (SNPs) related to Phase I metabolism of PAHs. We recruited 405 women for a cross-sectional study in Shanxi Province, China, including 170 with hypertension (the case group) and 235 without hypertension (the control group). We analyzed 26 individual PAHs in hair samples and the SNPs of the genes including cytochrome P450, family 1, subfamily A, polypeptide 1 (CYP1A1), CYP1A2, CYP1B1 and CYP2E1. Our results showed that seven PAHs in hair samples were measured with detection rate >70%. Only acenaphthylene was found to be associated with an increased risk of hypertension with adjustment for the potential confounders following Bonferroni correction, whereas others not. No SNPs of the concerned genes were found to be associated with the risk of hypertension. A multiple interaction effect of PAHs in housewives' hair and SNPs on hypertension risk was not observed. It was concluded that PAHs tended to contribute to the formation of hypertension.

  8. Measurement of polycyclic aromatic hydrocarbon (PAHs) in interplanetary dust particles

    NASA Technical Reports Server (NTRS)

    Clemett, S. J.; Maechling, C. R.; Zare, R. N.; Swan, P. D.; Walker, R. M.

    1993-01-01

    We report here the first definitive measurements of specific organic molecules (polycyclic aromatic hydrocarbons (PAH's)) in interplanetary dust particles (IDP's). An improved version of the microbeam-two-step laser mass spectrometer was used for the analysis. Two IDP's gave similar mass spectra showing an abundance of PAH's. Control samples, including particles of probable terrestrial origin from the same stratospheric collector, gave either null results or quite different spectra. We conclude that the PAH's are probably indigenous to the IDP's and are not terrestrial contaminants. The instrument used to study the particles is a two-step laser mass spectrometer. Constituent neutral molecules of the sample are first desorbed with a pulsed infrared laser beam focussed to 40 micrometers. In the second step, PAH's in the desorbed plume are preferentially ionized by a pulsed UV laser beam. Resulting ions produced by resonant absorption are extracted into a reflectron time-of-flight mass spectrometer. This instrument has high spatial resolution, high ion transmission, unlimited mass range, and multichannel detection of all ion masses from a single laser shot.

  9. Enhancement of polycyclic aromatic hydrocarbon biodegradation in the rhizosphere

    SciTech Connect

    Kim, S.C.; Banks, M.K.; Schwab, A.P.

    1994-12-31

    Polycyclic aromatic hydrocarbons (PAHs) are a class of potentially hazardous chemicals that exhibit toxic, mutagenic or carcinogenic properties. Microbial degradation is the major route through which PAHs are removed from contaminated environments although other mechanisms such as volatilization, leaching and photodegradation may also be effective. The rhizosphere contains a diversity of microorganisms that contribute to plant health and soil homeostasis. Recent studies indicate that microorganisms in the rhizosphere can degrade toxicants of concern to human health and the environment. The increased density and diversity of rhizosphere microflora may be an important factor for enhanced microbial degradation of PAHs. The objective of this study is to evaluate degradation of a number of different PAHs in rhizosphere and non-rhizosphere soil. It has been shown that the biodegradation rates of PAHs increase as the number of PAH rings decrease, but there is little information about the biodegradation in rhizosphere soil. The study will provide results from a microcosm experiment designed to evaluate degradation of PAHs in rhizosphere and non-rhizosphere. Also, kinetic models will be developed to represent data collected.

  10. Diversity of metabolic capacities among strains degrading polycyclic aromatic hydrocarbons

    SciTech Connect

    Bouchez, M.; Besnaienou, B.; Blanchet, D.; Vandecasteele, J.P.

    1995-12-31

    Strains of Pseudomonas and Rhodococcus genera were isolated for their capacity to use, as a sole carbon and energy source, one of the following polycyclic aromatic hydrocarbons (PAHs): naphthalene (NAP), fluorene (FLU), phenanthrene (PHE), anthracene (ANT), fluoranthene (FLT), and pyrene (PYR). The range of PAHs supporting growth of these pure strains was usually restricted, but several other hydrocarbons were used by Rhodococcus sp. All strains could grow on simple organic acids. Maximal specific growth rates ({mu}{sub max}) of all strains on their PAH growth substrates were determined by respirometry. No clear relationships between {mu}{sub max} values and the molecular weight or water solubility of PAHs were apparent, but Pseudomonas sp. exhibited the highest {mu}{sub max} values. Carbon balances for PAH biodegradation were established. Differences between strains were observed, but high mineralization rates and low production of soluble metabolites were obtained for all PAHs. Bacterial biomass represented 16% to 35% of the carbon consumed. Strain diversity was also apparent in the interactions observed in the degradation of a mixture of two PAHs by individual strains, which often involved inhibition of PAH substrate degradation, with or without cometabolization of the second PAH.

  11. Biodegradation of polycyclic aromatic hydrocarbons in rhizosphere soil

    SciTech Connect

    Schwab, A.P.; Banks, M.K.; Arunachalam, M.

    1995-12-31

    Increased contaminant biodegradation in soil in the presence of plants has been demonstrated for several classes of organic compounds. Although enhanced dissipation of polycyclic aromatic hydrocarbons (PAHs) was observed previously in the rhizosphere of several plant species, the mechanism of this effect has not been assessed. A laboratory experiment was conducted to test the importance of cometabolism and the presence of common rhizosphere organic acids on the loss of PAHs (pyrene and phenanthrene) from soil. The role of cometabolism in the mineralization of pyrene was tested by observing the impact of adding phenanthrene to soil containing {sup 14}C-pyrene and observing the effects on {sup 14}CO{sub 2} generation. Adding phenanthrene apparently induced cometabolism of pyrene, particularly in the presence of organic acids. In a subsequent experiment, mineralization of pyrene to {sup 14}CO{sub 2} was significantly greater in soil from the rhizospheres of warm-season grasses, sorghum (Sorghum bicolor L.) and bermuda grass (Cynodon dactylon L.), compared to soil from alfalfa (Medicago sativa L.), which did not differ from sterilized control soil. A highly branched, fine root system appears to be more effective in enhancing biodegradation than taproots, and the presence of organic acids increases rates of PAH mineralization.

  12. Polycyclic aromatic hydrocarbon biodegradation by a mixed bacterial culture

    SciTech Connect

    Dreyer, G.; Koenig, J.; Ringpfeil, M.

    1995-12-31

    Biodegradation of polycyclic aromatic hydrocarbons (PAHs), which are a complex mixture of organic compounds, was demonstrated using a bacterial mixed culture selected from a contaminated site by the BIOPRACT GmbH. The investigations were carried out in a laboratory fermenter using emulsified tar oil as the substrate to determine the following: (1) concentration of the single PAH and of the sum of PAHs relative to fermentation time, (2) carbon dioxide (CO{sub 2}) and oxygen (O{sub 2}) content in the outflowing air during fermentation, (3) chemical oxygen demand (COD) of the broth, and (4) toxicity of the broth before and after fermentation according to the bioluminescence test (DIN 38412, part 34/1). The results of this model experiment indicated that the investigated mixed culture is able to effectively metabolize the PAHs contained in tar oil, including the higher condensed compounds such as benzo(a)pyrene. In the first 8 days of fermentation, the PAH sum decreased to below 5% of the starting concentration connected with a five-fold reduction of the toxic effect on Vibrio fischeri. The PAH degradation rate correlated with the rate of COD decrease, the rate of evolving CO{sub 2}, and the consumption of O{sub 2}.

  13. Methanogenic biodegradation of two-ringed polycyclic aromatic hydrocarbons.

    PubMed

    Berdugo-Clavijo, Carolina; Dong, Xiaoli; Soh, Jung; Sensen, Christoph W; Gieg, Lisa M

    2012-07-01

    Polycyclic aromatic hydrocarbons (PAH) are widespread in methane-rich subsurface environments, such as oil reservoirs and fuel-contaminated aquifers; however, little is known about the biodegradation of these compounds under methanogenic conditions. To assess the metabolism of PAH in the absence of electron acceptors, a crude oil-degrading methanogenic enrichment culture was tested for the ability to biodegrade naphthalene, 1-methylnaphthalene (1-MN), 2-methylnaphthalene (2-MN), and 2, 6-dimethylnaphthalene (2, 6-diMN). When methane was measured as an indicator of metabolism, nearly 400 μmol of methane was produced in the 2-MN- and 2, 6-diMN-amended cultures relative to substrate-unamended controls, which is close to the amount of methane stoichiometrically predicted based on the amount of substrate added (51-56 μmol). In contrast, no substantial methane was produced in the naphthalene- and 1-MN-amended enrichments. In time course experiments, metabolite analysis of enrichments containing 2-MN and 2, 6-diMN revealed the formation of 2-naphthoic acid and 6-methyl-2-naphthoic acid, respectively. Microbial community analysis by 454 pyrosequencing revealed that these PAH-utilizing enrichments were dominated by archaeal members most closely affiliated with Methanosaeta and Methanoculleus species and bacterial members most closely related to the Clostridiaceae, suggesting that these organisms play an important role in the methanogenic metabolism of the substituted naphthalenes in these cultures.

  14. Magnetic Beads-based Bioelectrochemical Immunoassay of Polycyclic Aromatic Hydrocarbons

    SciTech Connect

    Lin, Ying-Ying; Liu, Guodong; Wai, Chien M.; Lin, Yuehe

    2007-07-01

    A simple, rapid, and sensitive bioelectrochemical immunoassay method based on magnetic beads (MBs) has been developed to detect polycyclic aromatic hydrocarbons (PAHs). The principle of this bioassay is based on a direct competitive enzyme-linked immunosorbent assay using PAH-antibody-coated MBs and horseradish peroxidase (HRP)-labeled PAH (HRP-PAH). A magnetic process platform was used to mix and shake the samples during the immunoreactions and to separate free and unbound reagents after the liquid-phase competitive immunoreaction among PAH-antibody-coated MBs, PAH analyte, and HRP-PAH. After a complete immunoassay, the HRP tracers attached to MBs were transferred to a substrate solution containing 3, 3´, 5, 5´- tetramethylbenzidine (TMB) and hydrogen peroxide (H2O2) for electrochemical detection. The voltammetric characteristics of the substrate were investigated, and the reduction peak current of TMB was used to quantify the concentration of PAH. The different parameters, including the amount of HRP-PAH conjugates, the enzyme catalytic reaction time, and the pH of the supporting electrolyte that governs the analytical performance of the immunoassay have been studied in detail and optimized. The detection limit of 50 pg mL-1 was obtained under optimum experimental conditions. The performance of this bioelectrochemical magnetic immunoassay was successfully evaluated with tap water spiked with PAHs, indicating that this convenient and sensitive technique offers great promise for decentralized environmental applications.

  15. Reptilian exposure to polycyclic aromatic hydrocarbons and associated effects.

    PubMed

    Zychowski, Gregory V; Godard-Codding, Céline A J

    2017-01-01

    Reptiles are an underrepresented taxon in ecotoxicological literature, and the means by which toxicants play a role in population declines are only partially understood. Among the contaminants of interest for reptiles are polycyclic aromatic hydrocarbons (PAHs), a class of organic compounds that is already a concern for numerous other taxa. The objectives of the present review are to summarize the existing literature on reptilian exposure to PAHs and synthesize general conclusions, to identify knowledge gaps within this niche of research, and to suggest future directions for research. Results confirm a relative scarcity of information on reptilian exposure to PAHs, although research continues to grow, particularly after significant contamination events. The orders Testudines and Squamata are better represented than the orders Crocodilia and Rhynchocephalia. For the taxonomic orders with relevant literature (all but Rhynchocephalia), some species are more frequently represented than others. Few studies establish solid cause-effect relationships after reptilian exposure to PAHs, and many more studies are suggestive of effect or increased risk of effect. Despite the scarcity of information in this area, researchers have already employed a wide variety of approaches to address PAH-related questions for reptiles, including molecular techniques, modeling, and field surveys. As more research is completed, a thoughtful interpretation of available and emerging data is necessary to make the most effective use of this information. Environ Toxicol Chem 2017;36:25-35. © 2016 SETAC. © 2016 SETAC.

  16. Distribution of polycyclic aromatic hydrocarbons in lime spray dryer ash

    SciTech Connect

    Ping Sun; Panuwat Taerakul; Linda K. Weavers; Harold W. Walker

    2005-10-01

    Four lime spray dryer (LSD) ash samples were collected from a spreader stoker boiler and measured for their concentrations of 16 U.S. EPA specified polycyclic aromatic hydrocarbons (PAHs). Results showed that the total measured PAH concentration correlated with the organic carbon content of the LSD ash. Each LSD ash sample was then separated using a 140 mesh sieve into two fractions: a carbon-enriched fraction ({gt}140 mesh) and a lime-enriched fraction ({lt}140 mesh). Unburned carbon was further separated from the carbon-enriched fraction with a lithiumheteropolytungstate (LST) solution. PAH measurements on these different fractions showed that unburned carbon had the highest PAH concentrations followed by the carbon-enriched fraction, indicating that PAHs were primarily associated with the carbonaceous material in LSD ash. However, detectable levels of PAHs were also found in the lime-enriched fraction, suggesting that the fine spray of slaked lime may sorb PAH compounds from the flue gas in the LSD process. 37 refs., 5 figs., 4 tabs.

  17. Doped polycyclic aromatic hydrocarbons as building blocks for nanoelectronics: a theoretical study.

    PubMed

    Dral, Pavlo O; Kivala, Milan; Clark, Timothy

    2013-03-01

    Density functional theory (DFT) and semiempirical UHF natural orbital configuration interaction (UNO-CI) calculations are used to investigate the effect of heteroatom substitution at the central position of a model polycyclic aromatic hydrocarbon. The effects of the substitution on structure, strain, electronic and spectral properties, and aromaticity of the compounds are discussed.

  18. Inhibitory effects of polycyclic aromatic hydrocarbons (PAHs) on photosynthetic performance are not related to their aromaticity.

    PubMed

    Jajoo, Anjana; Mekala, Nageswara Rao; Tomar, Rupal Singh; Grieco, Michele; Tikkanen, Mikko; Aro, Eva-Mari

    2014-08-01

    Polycyclic aromatic hydrocarbons (PAHs) are very toxic and highly persistent environmental pollutants which accumulate in soil and affect growth of the plants adversely. This study aims to investigate inhibitory effects of 3 major PAH particularly on photosynthetic processes in Arabidopsis thaliana grown in soil treated with PAH. The 3 PAH chosen differ from each other in aromaticity (number of rings) comprising their structure (2 rings: naphthalene, 3 rings: anthracene and 4 rings: pyrene). Several growth parameters and Chlorophyll a fluorescence was monitored in PAH treated plants. BN-PAGe analysis was done in order to get information about change in the protein conformation. PAH treatment led to increased value of Fo which collaborated with increase in the amount of free LHC as seen through BN-Page analysis. Thus PAH were found to inhibit PS II photochemistry and caused distinct change in pigment composition. However the results led us to infer that 3-ring anthracence is more inhibitory as compared to 2-ring naphthalene and 4-ring pyrene. This indicates that aromaticity of PAH is unrelated to their response on photosynthetic processes.

  19. The Exobiological Role of Interstellar Polycyclic Aromatic Hydrocarbons and Ices

    NASA Technical Reports Server (NTRS)

    Hudgins, Douglas M.; DeVincenzi, Donald (Technical Monitor)

    2002-01-01

    Tremendous strides have been made in our understanding of interstellar material over the past twenty years thanks to significant, parallel developments in observational astronomy and laboratory astrophysics. Before this time, the composition of interstellar dust was largely guessed-at, the presence of ices in interstellar clouds ignored, and the notion that large, gas phase, carbon rich molecules might be abundant and widespread throughout the interstellar medium (ISM) considered impossible. Today, the composition of dust in the ISM is reasonably well constrained to micron-sized cold refractory materials comprised of amorphous and crystalline silicates mixed with an amorphous carbonaceous material containing aromatic structural units and short, branched aliphatic chains. Shrouded within the protective confines of cold, opaque molecular clouds--the birthplace of stars and planets--these cold dust particles secrete mantles of mixed molecular ices whose compositions are also well constrained. Finally, amidst the molecular inventory of these ice mantles are likely to be found polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by the standards of interstellar chemistry, the telltale infrared spectral signature of which is now recognized throughout the Universe. In the first part of this talk, we will review the spectroscopic evidence that forms the basis for the currently accepted abundance and ubiquity of PANs in the ISM. We will then look at a few specific examples which illustrate how experimental and theoretical data can be applied to interpret the interstellar spectra and track how the PAN population evolves as it passes from its formation site in the circumstellar outflows of dying stars, through the various phases of the ISM, and into forniing planetary systems. Nevertheless, despite the fact that PANs likely represent the single largest molecular reservoir of organic carbon in evolving planetary systems, they are not what would be considered

  20. The Exobiological Role of Interstellar Polycyclic Aromatic Hydrocarbons and Ices

    NASA Technical Reports Server (NTRS)

    Hudgins, Douglas M.; DeVincenzi, Donald (Technical Monitor)

    2002-01-01

    Tremendous strides have been made in our understanding of interstellar material over the past twenty years thanks to significant, parallel developments in observational astronomy and laboratory astrophysics. Before this time, the composition of interstellar dust was largely guessed-at, the presence of ices in interstellar clouds ignored, and the notion that large, gas phase, carbon rich molecules might be abundant and widespread throughout the interstellar medium (ISM) considered impossible. Today, the composition of dust in the ISM is reasonably well constrained to micron-sized cold refractory materials comprised of amorphous and crystalline silicates mixed with an amorphous carbonaceous material containing aromatic structural units and short, branched aliphatic chains. Shrouded within the protective confines of cold, opaque molecular clouds--the birthplace of stars and planets--these cold dust particles secrete mantles of mixed molecular ices whose compositions are also well constrained. Finally, amidst the molecular inventory of these ice mantles are likely to be found polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by the standards of interstellar chemistry, the telltale infrared spectral signature of which is now recognized throughout the Universe. In the first part of this talk, we will review the spectroscopic evidence that forms the basis for the currently accepted abundance and ubiquity of PANs in the ISM. We will then look at a few specific examples which illustrate how experimental and theoretical data can be applied to interpret the interstellar spectra and track how the PAN population evolves as it passes from its formation site in the circumstellar outflows of dying stars, through the various phases of the ISM, and into forniing planetary systems. Nevertheless, despite the fact that PANs likely represent the single largest molecular reservoir of organic carbon in evolving planetary systems, they are not what would be considered

  1. Assessment of Polycyclic Aromatic Hydrocarbon Contamination of Breeding Pools Utilized by the Puerto Rican Crested Toad, Peltophryne lemur

    PubMed Central

    Gjeltema, Jenessa; Stoskopf, Michael; Shea, Damian; De Voe, Ryan

    2012-01-01

    Habitat preservation and management may play an important role in the conservation of the Puerto Rican crested toad, Peltophryne lemur, due to this species' small geographic range and declining native wild population. Bioavailable water concentrations of Polycyclic Aromatic Hydrocarbon (PAH) contaminants within breeding pools at 3 sites were established using Passive Sampling Devices (PSDs) and gas chromatography-mass spectrometry (GC/MS). A more diverse population of PAH analytes were found in higher concentrations at the breeding site that allowed direct vehicular access, but calculated risk quotients indicated low risk to toad reproduction associated with the current PAH analyte levels. PMID:23762634

  2. Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Nitrogen Heterocycles (PANHs)

    NASA Technical Reports Server (NTRS)

    Mattioda, A. L.; Hudgins, D. M.; Bauschlicher, C. W.; Allamandola, L. J.; Biemesderfer, C. D.; Rosi, M.

    2002-01-01

    The mid-infrared spectra of the nitrogen-containing heterocyclic polycyclic aromatic compounds 1-azabenz[a]-anthracene; 2-azabenz[a]anthracene; 1-azachrysene; 2-azachrysene; 4-azachrysene; 2-azapyrene, and 7,8 benzoquinoline in their neutral and cation forms were investigated. The spectra of these species isolated in an argon matrix have been measured. Band frequencies and intensities were tabulated and these data compared with spectra computed using density functional theory at the B3LYP level. The overall agreement between experiment and theory is quite good, in keeping with earlier results on homonuclear polycyclic aromatic hydrocarbons. The differences between the spectral properties of nitrogen bearing aromatics and non-substituted, neutral polycyclic aromatic hydrocarbons will be discussed.

  3. Comparative analysis of polycyclic aromatic sulfur heterocycles isolated from four shale oils. [Polycyclic aromatic sulfur heterocycles; thiophenes

    SciTech Connect

    Willey, C.; Pelroy, R.; Stewart, D.

    1981-12-01

    This report describes the isolation of sulfur heterocycle fractions from four shale oils (Paraho, Geokinetics, Occidental, and Rio Blanco), the use of capillary column gas chromatography and mass spectrometry for the identification of individual mixture components, and a reverse (Ames) and forward mutation assay with Salmonella typhimurium to screen for possible health hazards. The major components of the Polycyclic Aromatic Sulfur Heterocycles (PASH) fractions for all four shale oils were found to be two- to three-ringed parent and alkylated thiophene compounds. In all cases the PASH fractions showed no more specific mutagenic response than the neutral PAC fractions from which they were isolated. The only mutagenic response which was detected in the PASH fractions was for the Rio Blanco shale oil and showed specific mutagenic response similar to the neutral PAC fraction from which it was isolated. Finally, the forward mutation 8-azaguanine test was apparently more sensitive than the Ames histidine reversion test in detecting mutagenic activity for the chemical fractions from the shale oils.

  4. Trace level determination of polycyclic aromatic hydrocarbons in river water with automated pretreatment HPLC.

    PubMed

    Watabe, Yoshiyuki; Kubo, Takuya; Tanigawa, Tetsuya; Hayakawa, Yoshihiro; Otsuka, Koji; Hosoya, Ken

    2013-03-01

    A novel on-line pretreatment pump-injection HPLC system for polycyclic aromatic hydrocarbons is proposed. We report novel pump-injection HPLC-based on-line SPE with a specially designed pretreatment column for the determination of trace amounts of chemical substances in surface water. Polycyclic aromatic hydrocarbons are well known for strong carcinogenicity and thus a severe concentration control is required for drinking water and/or river water, which is the main resource of tap water. We found it possible to detect ng/L levels of polycyclic aromatic hydrocarbons by using pump-injection column switching HPLC with fluorescence detection. To avoid the phenomenon, in which polycyclic aromatic hydrocarbons can be often adsorbed on the surface of flow lines of HPLC by their highly hydrophobicity especially resin-made parts in sample delivery pump, we employed "autodilution" device that provides reliable recovery and repeatability. Additionally, real water samples were collected and then the spiked polycyclic aromatic hydrocarbons were determined at ng/L levels.

  5. Optimization and determination of polycyclic aromatic hydrocarbons in biochar-based fertilizers.

    PubMed

    Chen, Ping; Zhou, Hui; Gan, Jay; Sun, Mingxing; Shang, Guofeng; Liu, Liang; Shen, Guoqing

    2015-03-01

    The agronomic benefit of biochar has attracted widespread attention to biochar-based fertilizers. However, the inevitable presence of polycyclic aromatic hydrocarbons in biochar is a matter of concern because of the health and ecological risks of these compounds. The strong adsorption of polycyclic aromatic hydrocarbons to biochar complicates their analysis and extraction from biochar-based fertilizers. In this study, we optimized and validated a method for determining the 16 priority polycyclic aromatic hydrocarbons in biochar-based fertilizers. Results showed that accelerated solvent extraction exhibited high extraction efficiency. Based on a Box-Behnken design with a triplicate central point, accelerated solvent extraction was used under the following optimal operational conditions: extraction temperature of 78°C, extraction time of 17 min, and two static cycles. The optimized method was validated by assessing the linearity of analysis, limit of detection, limit of quantification, recovery, and application to real samples. The results showed that the 16 polycyclic aromatic hydrocarbons exhibited good linearity, with a correlation coefficient of 0.996. The limits of detection varied between 0.001 (phenanthrene) and 0.021 mg/g (benzo[ghi]perylene), and the limits of quantification varied between 0.004 (phenanthrene) and 0.069 mg/g (benzo[ghi]perylene). The relative recoveries of the 16 polycyclic aromatic hydrocarbons were 70.26-102.99%. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Simulation of polycyclic aromatic hydrocarbons transport in multimedia

    SciTech Connect

    Chen, L.; Chu, C.J.

    1999-07-01

    Many studies have indicated that the threat from toxic air pollutants such as VOCs comes not through inhalation by humans while the pollutants are in a gaseous state but through absorption when the pollutants are in a solid state such as in an aerosol or particulate form. Pollutants such as Polycyclic Aromatic Hydrocarbons (PAHs) usually exist in a semi-volatile state. To assess the risk of the PAHs, one needs to estimate the dose of the pollutants to which a human would be exposed through various pathways. In this study, the authors modified a Spatial Multimedia Compartmental Model (SMCM) originally developed by UCLA Professor Cohen to predict the PAHs distribution among multimedia such as air, water, soil and sediment in the Taipei metropolitan area. Three PAHs were considered in this study. They are Benzo(a)pyrene, Pyrene and Chrysene. When PAHs are emitted into atmosphere, physical and chemical mechanisms may redistribute the PAHs among multimedia. Five cases of PAHs distribution in multimedia were simulated: (1) PAHs distribution in a dry condition, (2) PAHs distribution when there are different dry deposition velocities, (3) PAHs distribution under a single rainfall event, (4) PAHs distribution when there are different soil properties, (5) PAHs distribution under a random rainfall case. The simulation results are concluded: (1) In the dry case, the PAHs accumulate mostly in soil and air compartments, (2) Different dry depositing velocities will affect the PAHs distribution among compartments. (3) Different soil properties affect the PAHs concentration in the soil and sediment compartments, (4) The soil PAHs concentrations usually increase for those PAHs with a high solid/gas ratio. (5) The random rainfall only affects the PAHs concentration in the soil.

  7. Tracing Star Formation Around Quasars With Polycyclic Aromatic Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Bilton, Lawrence Edward

    2016-09-01

    The feedback processes linking quasar activity to galaxy stellar mass growth are not well understood. If star formation is closely causally linked to black hole accretion, one may expect star formation confined to nuclear regions rather than extended over several kpc scales. Since Polycyclic Aromatic Hydrocarbon (PAH) emission features are widely used as tracers of stellar formation, it is, therefore, possible to use PAH emission detected around QSOs to help resolve this question. PAH data from a sample of 63 QSOs procured from the Spitzer Space Telescope’s Infrared Spectrograph (IRS) is used, employing the Spectroscopic Modelling Analysis and Reduction Tool’s (SMART) Advanced Optimal (AdOpt) extraction routines. A composite spectrum was also produced to help determine the average conditions and compositions of star forming regions. It is found, from our high redshift (>1) sample of QSOs, there is a marginally significant extended star formation on average of 34 scales. At low redshift, the median extension after deconvolving the instrumental point spread function is 3.2 , potentially showing evolutionary variations in star formation activity. However, limitations of the spatial resolving power constrain the ability to make any absolute conclusive remarks. It is also found that the QSO/AGN composite has more neutral PAHs than the starbursting and the main sequence galaxies, consistent with the AGN having no contribution to heating the PAH emission, and also consistent with the average PAH emission found on scales (i.e. not confined to the nuclear regions). A tentative detection of water vapour emission from the gravitationally lensed Einstein Cross quasar, QSO J2237+0305, is also presented suggesting a strong molecular outflow possibly driven by the active nucleus.

  8. Photolysis of polycyclic aromatic hydrocarbons adsorbed on fly ash

    SciTech Connect

    Behymer, T.D.

    1987-01-01

    Polycyclic aromatic hydrocarbons (PAH) are formed by the combustion of almost any fuel under oxygen-deficient conditions. Previous laboratory studies have found that many PAH degrade with lifetimes as short as a few hours; however, studies of marine and lacustrine sediments, the ultimate sinks of PAH, have shown relative abundances of PAH which are similar to those in combustion sources; this suggests that PAH are stable in the atmosphere. Eighteen PAH adsorbed on carbon black and fifteen coal fly ashes of varying physical and chemical composition were photolyzed in order to study their atmospheric fate. Photolytic half-lives for these particle-bound PAH were found to be highly dependent on the substrate onto which they were adsorbed. On low-carbon fly ash, PAH showed a wide range of half-lives, indicating a relationship between PAH structure and photochemical reactivity. However, PAH on carbon black and fly ashes with a high-carbon content, show similar half-lives for most PAH including reactive PAH such as anthracene and benzo(a)pyrene. This indicates a photolytic process that is independent of structure and dependent on the physical and chemical nature of the fly ash. Surprisingly, no other parameter accounts for observed PAH reactivity. Substrate characteristics such as surface area, porosity, particle size, surface pH, and iron content have all been suggested to influence the rate of PAH degradation. However, these parameters, measured for substrates studied in this thesis, do not correlate with PAH reactivity. Because carbon black and high-carbon fly ashes stabilize reactive PAH, it is these substrates which would facilitate the transport of PAH from combustion sources through the atmosphere to ultimate sinks.

  9. Efficient polycyclic aromatic hydrocarbons dihydroxylation in direct micellar systems.

    PubMed

    Randazzo, D; Berti, D; Briganti, F; Baglioni, P; Scozzafava, A; Di Gennaro, P; Galli, E; Bestetti, G

    2001-08-05

    Optimization of whole-cell bioconversion of the polycyclic aromatic hydrocarbons (PAHs) anthracene, phenanthrene, and naphthalene to the enantiomerically pure corresponding cis-dihydroxydihydro derivatives by the Escherichia coli JM109 (pPS1778) recombinant strain, carrying the naphthalene dioxygenase and corresponding regulatory genes cloned from Pseudomonas fluorescens N3, in micellar systems, is presented. We show that direct microemulsion systems, where a nonionic surfactant such as 1.5% (v/v) Triton X-100 plus 0.6% to 1.0% (v/v) selected oils are able to solubilize the PAHs tested at relatively high concentrations (initial concentrations in the reaction medium > or =10 mM for naphthalene and phenanthrene and > or =2 mM for anthracene), and allow for more efficient substrate bioconversion. These media, while not affecting bacteria viability and performance, provide increased efficiency and final product yields (100% for naphthalene, >30% for anthracene, >60% for phenanthrene). The phase behavior of the direct microemulsion systems for the different substrates and oils utilized was monitored as a function of their volume fraction by light scattering experiments, and related to the bioconversion results. For anthracene and phenanthrene, the dihydroxylated products have an inhibitory effect on the conversion reactions, thus hindering complete turnover of the substrates. We ascertain that such inhibition is reversible because removal of the products formed allowed the process to start over at rates comparable to initial rates. To allow for complete conversion of the PAHs tested a stepwise or continuous separation of the product formed from the micellar reaction environment is being developed. Copyright 2001 John Wiley & Sons, Inc.

  10. Estimation of Chronic Personal Exposure to Airborne Polycyclic Aromatic Hydrocarbons

    PubMed Central

    Choi, Hyunok; Zdeb, Michael; Perera, Frederica; Spengler, John

    2015-01-01

    Background Polycyclic aromatic hydrocarbons (PAH) exposure from solid fuel burning represents an important public health issue for the majority of the global population. Yet, understanding of individual-level exposures remains limited. Objectives To develop regionally adaptable chronic personal exposure model to pro-carcinogenic PAH (c-PAH) for the population in Kraków, Poland. Methods We checked the assumption of spatial uniformity in eight c-PAH using the coefficients of divergence (COD), a marker of absolute concentration differences. Upon successful validation, we developed personal exposure models for eight pro-carcinogenic PAH by integrating individual-level data with area-level meteorological or pollutant data. We checked the resulting model for accuracy and precision against home outdoor monitoring data. Results During winter, COD of 0.1 for Kraków suggest overall spatial uniformity in the ambient concentration of the eight c-PAH. The three models that we developed were associated with index of agreement approximately equal to 0.9, root mean square error < 2.6 ng/m3, and 90th percentile of absolute difference ≤ 4 ng/m3 for the predicted and the observed concentrations for eight pro-carcinogenic PAH. Conclusions Inexpensive and logistically feasible information could be used to estimate chronic personal exposure to PAH profiles, in lieu of costly and labor-intensive personal air monitoring at wide scale. At the same time, thorough validation through direct personal monitoring and assumption checking are critical for successful model development. PMID:25965038

  11. [Desorption of polycyclic aromatic hydrocarbons in soils assisted by SPMD].

    PubMed

    Sun, Hong-Wen; Huo, Chong; Wang, Cui-Ping

    2007-08-01

    In order to develop a new method to study the desorption and bioavailability of hydrophobic organic chemicals (HOCs) in soils, a method using semi-permeable membrane device (SPMD) to study desorption of HOCs in soils has been set up, and assisted desorption of polycyclic aromatic hydrocarbons (PAHs), phenanthrene(PHE), pyrene(PYE), and benzo[a] pyrene (B[a]PYE) in three different kinds of soils was studied using SPMD. The results show that SPMD is a good measurement to study the desorption and bioavailability of HOCs in soils. SPMD assisted desorption of PAHs is highly dependent on the properties of the soils and the chemicals. PHE and PYE desorption percentages increase with the reduction of the content of soil organic matter (SOM), so that the desorption of the two chemicals increases from 56.45% and 48.28% to almost 100% when SOM content was reduced from 18.68% to 0.3%. However, clay has a significant holding effect on B[a]PYE, and PYE desorption is only 66.97% in Soil 3 with SOM of 0.3% and clay content of 39.05%. There is a great variety in the desorption among the different PAHs. With the reduction of SOM content and the elevation of contamination concentration, the difference between PHE and PYE decreases gradually, while B[a]PYE exhibits a significant difference from them. This could be attributed to the high lipophilicity and large molecular size of B[a]PYE, which make the molecule of B[a]PYE to be more easier to be held in the nanopores of clay and the dense region of SOM.

  12. Partition of polycyclic aromatic hydrocarbons on organobentonites from water.

    PubMed

    Chen, B L; Zhu, L Z

    2001-04-01

    A series of organobentonites synthesized by exchanging organic cation such as dodecyltri-methylammonium (DTMA), benzyldimethyltetradecylammonium (BDTDA), cetyltrimethyl-ammonium (CTMA), octodeyltrimethylammonium (OTMA) on bentonite. The optimal condition, properties and mechanisms for the organobentonites to sorb phenanthrene, anthracene, naphthalene, acenaphthene in water were investigated in detail. The partition behavior was determined for four polycyclic aromatic hydrocarbons (PAHs), such as naphthalene, phenanthrene, anthracene and acenaphthene, from water to a series of organobentonites. The interlayer spacings and organic carbon contents of organobentonites, removal rate and sorption capacities for organobentonites to treat phenanthrene, anthracene, naphthalene, acenaphthene were correlated to the length of alkyl chains and the amounts of cation surfactant exchanged on the bentonite. Phenanthrene, anthracene, naphthalene, and acenaphthene sorption to organobentonites were characterized by linear isotherms, indicating solute partition between water and the organic phase composed of the large alkyl functional groups of quaternary ammonium cations. PAHs distribution coefficients (Kd) between organobentonites and water were proportional to the organic carbon contents of organobentonites. However, the partition coefficients (Koc) were nearly constants for PAHs in the system of organobentonite-water. The Koc of phenanthrene, anthracene, naphthalene, acenaphthene were 2.621 x 10(5), 2.106 x 10(5), 2.247 x 10(4), 5.085 x 10(4), respectively. The means Koc values on the organobentonites are about ten to twenty times larger than the values on the soils/sediments, what is significant prerequisite for organobentonite to apply to remediation of pollution soil and groundwater. The sorption mechanism was also evaluated from octanol-water partition coefficients and aqueous solubility of PAHs. The correlations between 1gKoc and 1gKow, 1gKoc and 1gS for PAHs in the system of

  13. Human Colon Microbiota Transform Polycyclic Aromatic Hydrocarbons to Estrogenic Metabolites

    PubMed Central

    Van de Wiele, Tom; Vanhaecke, Lynn; Boeckaert, Charlotte; Peru, Kerry; Headley, John; Verstraete, Willy; Siciliano, Steven

    2005-01-01

    Ingestion is an important exposure route for polycyclic aromatic hydrocarbons (PAHs) to enter the human body. Although the formation of hazardous PAH metabolites by human biotransformation enzymes is well documented, nothing is known about the PAH transformation potency of human intestinal microbiota. Using a gastrointestinal simulator, we show that human intestinal microbiota can also bioactivate PAHs, more in particular to estrogenic metabolites. PAH compounds are not estrogenic, and indeed, stomach and small intestine digestions of 62.5 nmol naphthalene, phenanthrene, pyrene, and benzo(a)pyrene showed no estrogenic effects in the human estrogen receptor bioassay. In contrast, colon digests of these PAH compounds displayed estrogenicity, equivalent to 0.31, 2.14, 2.70, and 1.48 nmol 17α-ethynylestradiol (EE2), respectively. Inactivating the colon microbiota eliminated these estrogenic effects. Liquid chromatography–mass spectrometry analysis confirmed the microbial PAH transformation by the detection of PAH metabolites 1-hydroxypyrene and 7-hydroxybenzo(a)pyrene in colon digests of pyrene and benzo(a)pyrene. Furthermore, we show that colon digests of a PAH-contaminated soil (simulated ingestion dose of 5 g/day) displayed estrogenic activity equivalent to 0.58 nmol EE2, whereas stomach or small intestine digests did not. Although the matrix in which PAHs are ingested may result in lower exposure concentrations in the gut, our results imply that the PAH bioactivation potency of colon microbiota is not eliminated by the presence of soil. Moreover, because PAH toxicity is also linked to estrogenicity of the compounds, the PAH bioactivation potency of colon microbiota suggests that current risk assessment may underestimate the risk from ingested PAHs. PMID:15626640

  14. Polycyclic Aromatic Hydrocarbons and digestive tract cancers - a perspective

    PubMed Central

    Diggs, Deacqunita L.; Huderson, Ashley C.; Harris, Kelly L.; Myers, Jeremy N.; Banks, Leah D.; Rekhadevi, Perumalla V.; Niaz, Mohammad S.; Ramesh, Aramandla

    2011-01-01

    Cancers of the colon are most common in the Western world. In majority of these cases, there is no familial history and sporadic gene damage seems to play an important role in the development of tumors in the colon. Studies have shown that environmental factors, especially diet, play an important role in susceptibility to GI tract cancers. Consequently, environmental chemicals that contaminate food or diet during its preparation becomes important in the development of GI cancers. Polycyclic aromatic hydrocarbons (PAHs) are one such family of ubiquitous environmental toxicants. These pollutants enter the human body through consumption of contaminated food, drinking water, inhalation of cigarette smoke, automobile exhausts, and contaminated air from occupational settings. Among these pathways, dietary intake of PAHs constitutes a major source of exposure in humans. Although many reviews and books on PAHs and their ability to cause toxicity and breast or lung cancer have been published, aspects on contribution of diet, smoking and other factors towards development of digestive tract cancers and strategies to assess risk from exposure to PAHs have received much less attention. This review, therefore, focuses on dietary intake of PAHs in humans, animal models, and cell cultures used for GI cancer studies along with epidemiological findings. Bioavailability and biotransformation processes, which influence the disposition of PAHs in body and the underlying causative mechanisms of GI cancers, are also discussed. The existing data gaps and scope for future studies is also emphasized. This information is expected to stimulate research on mechanisms of sporadic GI cancers caused by exposure to environmental carcinogens. PMID:22107166

  15. Background'' soil concentration of polycyclic aromatic hydrocarbons from Burlington, Vermont

    SciTech Connect

    Parker, R.L.; Sparks, M.K. )

    1993-03-01

    Polycyclic Aromatic Hydrocarbons (PAH's) were identified in soils from waterfront industrial land in Burlington prior to conversion to a park. PAH's ranged from 2,457 to 16,005 ppb. As a result, this area was placed on the Vt. DEC list of active'' hazardous sites. The few studies available regarding background concentrations of PAH's (i.e. ATSDR, 1990), suggested that the waterfront PAH values were low for urban soils. To provide a context for evaluating the waterfront PAH concentrations, a background study of soils in the City of Burlington was conducted. Twelve composite soil samples were collected from within a 1-mile radius of the proposed park; an area that encompasses a large portion of the City. To correlate PAH concentrations with land-uses, three samples were collected from each of four zones: industrial, mixed commercial-residential, residential and recreational. Samples (and one field blank) were analyzed via EPA method 8100. Total PAH's from the study ranged from 105.7 to 122,035 ppb. The minimum value was from a baseball field; the maximum value from a residential lawn. The arithmetic mean for the Burlington study was 19,380 ppb (compared to 10,530 ppb for the waterfront). The background'' values indicate that the waterfront park soils are below the study background'' mean. It is difficult to assess the origin of the elevated PAH values because of the numerous contributors of environmental PAH. One common element that appears to characterize soils with the highest background'' PAH values is linkage to recent or historic building fires. In many instances building combustion may be a dominant local source of soil PAH's.

  16. Polycyclic aromatic hydrocarbons in mountain soils of the subtropical Atlantic.

    PubMed

    Ribes, A; Grimalt, J O; Torres García, C J; Cuevas, E

    2003-01-01

    Surface soil samples from various altitudes on Tenerife Island, ranging from sea level up to 3400 m above mean sea level, were analyzed to study the distribution of 26 polycyclic aromatic hydrocarbons (PAHs) in a remote subtropical area. The stable atmospheric conditions in this island define three vertically stratified layers: marine boundary, trade-wind inversion, and free troposphere. Total PAH concentrations, 1.9 to 6000 microg/kg dry wt., were high when compared with those in tropical areas and in a similar range to those in temperate areas. In the marine boundary layer, fluoranthene (Fla), pyrene (Pyr), benz [a]anthracene (BaA), and chrysene (C + T) were largely dominant. The predominance of Fla over Pyr may reflect photo-oxidative processes during atmospheric transport, although coal combustion inputs cannot be excluded. The PAHs found in higher concentration in the soils from the inversion layer were benzo[b + j]fluoranthene (BbjF) + benzo[k]fluoranthene (BkF) > benzo[e]pyrene (BeP) approximately indeno[1,2, 3-cd]pyrene (Ind) > benzo[a]pyrene (BaP) approximately benzo[ghi]perylene (Bghi) > coronene (Cor) approximately dibenz[a,h]anthracene (Dib), reflecting that high temperatures and insolation prevent the accumulation of PAHs more volatile than BbjF in significant amounts. These climatic conditions involve a process of standardization that prevents the identification of specific PAH sources such as traffic, forest fires, or industrial inputs. Only soils with high total organic carbon (TOC) (e.g., 10-30%) preserve the more volatile compounds such as phenanthrene (Phe), methylphenanthrenes (MPhe), dimethylphenanthrenes (DMPhe), and retene (Ret). However, no relation between PAHs and soil TOC and black carbon (BC) was found. The specific PAH distributions of the free tropospheric region suggest a direct input from pyrolytic processes related to the volcanic emission of gases in Teide.

  17. Dry deposition of polycyclic aromatic hydrocarbons in ambient air

    SciTech Connect

    Sheu, H.L.; Lee, W.J.; Su, C.C.; Chao, H.R.; Fan, Y.C.

    1996-12-01

    Dry deposition and air sampling were undertaken, simultaneously, in the ambient air of an urban site and a petrochemical-industry (PCI) plant by using several dry deposition plates and PS-1 samplers from January to May 1994 in southern Taiwan. The dry deposition plate with a smooth surface was always pointed into the wind. Twenty-one polycyclic aromatic hydrocarbons (PAHs) were analyzed by a gas chromatography/mass spectrometer (GC/MSD). The dry deposition flux of total-PAHs in urban and PCI sites averaged 166 and 211 {micro}g/m{sup 2}{center_dot}d, respectively. In general, the PAH dry deposition flux increased with increases in the PAH concentration in the ambient air. The PAH pattern of dry deposition flux in both urban and PCI sites were similar to the pattern measured by the filter of the PS-1 sampler and completely different from the PAH pattern in the gas phase. The higher molecular weight PAHs have higher dry deposition velocities. This is due to the fact that higher molecular weight PAHs primarily associated with the particle phase are deposited mostly by gravitational settling, while the gas phase PAHs were between 0.001 and 0.010 cm/s, only the lower molecular-weight PAHs--Nap and AcPy--had a significant fraction of dry deposition flux contributed by the gas phase. All the remaining higher molecular-weight PAHs had more than 94.5% of their dry deposition flux resulting from the particle phase. This is due to the fact that higher molecular weight PAHs have a greater fraction in the particle phase and the dry deposition velocities of particulates are much higher than those of the gas phase.

  18. Polycyclic Aromatic Hydrocarbons in Residential Dust: Sources of Variability

    PubMed Central

    Metayer, Catherine; Petreas, Myrto; Does, Monique; Buffler, Patricia A.; Rappaport, Stephen M.

    2013-01-01

    Background: There is interest in using residential dust to estimate human exposure to environmental contaminants. Objectives: We aimed to characterize the sources of variability for polycyclic aromatic hydrocarbons (PAHs) in residential dust and provide guidance for investigators who plan to use residential dust to assess exposure to PAHs. Methods: We collected repeat dust samples from 293 households in the Northern California Childhood Leukemia Study during two sampling rounds (from 2001 through 2007 and during 2010) using household vacuum cleaners, and measured 12 PAHs using gas chromatography–mass spectrometry. We used a random- and a mixed-effects model for each PAH to apportion observed variance into four components and to identify sources of variability. Results: Median concentrations for individual PAHs ranged from 10 to 190 ng/g of dust. For each PAH, total variance was apportioned into regional variability (1–9%), intraregional between-household variability (24–48%), within-household variability over time (41–57%), and within-sample analytical variability (2–33%). Regional differences in PAH dust levels were associated with estimated ambient air concentrations of PAH. Intraregional differences between households were associated with the residential construction date and the smoking habits of residents. For some PAHs, a decreasing time trend explained a modest fraction of the within-household variability; however, most of the within-household variability was unaccounted for by our mixed-effects models. Within-household differences between sampling rounds were largest when the interval between dust sample collections was at least 6 years in duration. Conclusions: Our findings indicate that it may be feasible to use residential dust for retrospective assessment of PAH exposures in studies of health effects. PMID:23461863

  19. Characterization of polycyclic aromatic hydrocarbons in fog-rain events.

    PubMed

    Li, Xiang; Li, Pengfei; Yan, Lili; Chen, Jianmin; Cheng, Tiantao; Xu, Shifen

    2011-11-01

    Atmospheric polycyclic aromatic hydrocarbons (PAHs) mainly originate from incomplete combustion or pyrolysis of materials containing carbon and hydrogen. They exist in gas and particle phases, as well as dissolved or suspended in precipitation (fog or rain). Current studies in atmospheric PAHs are predominantly focused on fog and rainwater samples. Some sampling difficulties are associated with fog samples. This study presented the first observation of the characteristics of PAHs in fog samples using a solid phase microextraction (SPME) technique. Eighteen fog samples were collected during ten fog events from March to December 2009 in the Shanghai area. PAHs were extracted by SPME and analyzed by gas chromatography-mass spectrometry (GC-MS). As the compounds were partially soluble in water, with solubility decreasing with increasing molecular weight, low molecular weight (LMW) PAH compounds were universally found in the fog water samples. Naphthalene (NaP), phenanthrene (Phe), anthracene (Ant) and fluoranthene (Flo) were dominant compounds in fog water. The total PAH concentration in fog water ranged from 0.03 to 6.67 μg L(-1) (mean of 1.06 μg L(-1)), and was much higher in winter than in summer. The concentration of PAHs in fog or rain water decreased after undergoing a pre-rain or pre-fog wash. The average concentration of PAHs was higher in fog than in rain. Diagnostic ratio analysis suggested that petroleum and combustion were the dominant contributors to PAHs in urban Shanghai. Backward trajectories were calculated to determine the origin of the air masses, showing that air masses were mostly from the northeast territory.

  20. Polycyclic aromatic hydrocarbons: from metabolism to lung cancer.

    PubMed

    Moorthy, Bhagavatula; Chu, Chun; Carlin, Danielle J

    2015-05-01

    Excessive exposure to polycyclic aromatic hydrocarbons (PAHs) often results in lung cancer, a disease with the highest cancer mortality in the United States. After entry into the lung, PAHs induce phase I metabolic enzymes such as cytochrome P450 (CYP) monooxygenases, i.e. CYP1A1/2 and 1B1, and phase II enzymes such as glutathione S-transferases, UDP glucuronyl transferases, NADPH quinone oxidoreductases (NQOs), aldo-keto reductases (AKRs), and epoxide hydrolases (EHs), via the aryl hydrocarbon receptor (AhR)-dependent and independent pathways. Humans can also be exposed to PAHs through diet, via consumption of charcoal broiled foods. Metabolism of PAHs through the CYP1A1/1B1/EH pathway, CYP peroxidase pathway, and AKR pathway leads to the formation of the active carcinogens diol-epoxides, radical cations, and o-quinones. These reactive metabolites produce DNA adducts, resulting in DNA mutations, alteration of gene expression profiles, and tumorigenesis. Mutations in xenobiotic metabolic enzymes, as well as polymorphisms of tumor suppressor genes (e.g. p53) and/or genes involved in gene expression (e.g. X-ray repair cross-complementing proteins), are associated with lung cancer susceptibility in human populations from different ethnicities, gender, and age groups. Although various metabolic activation/inactivation pathways, AhR signaling, and genetic susceptibilities contribute to lung cancer, the precise points at which PAHs induce tumor initiation remain unknown. The goal of this review is to provide a current state-of-the-science of the mechanisms of human lung carcinogenesis mediated by PAHs, the experimental approaches used to study this complex class of compounds, and future directions for research of these compounds.

  1. Intraperitoneal mesotheliomas induced in mice by a polycyclic aromatic hydrocarbon

    SciTech Connect

    Rice, J.M.; Anderson, L.M. ); Kovatch, R.M. )

    1989-01-01

    Female mice of 6 strains (C3H/HeN, BALB/c, C57BL/6N, DBA/2, NIH Swiss, and AKR/N) were given the polycyclic aromatic hydrocarbon carcinogen 3-methylcholanthrene (MC) intragastrically in olive oil at a dose of 20 mg/kg, weekly for 12 wk. Half were pretreated 24 h before each MC administration with intraperitoneal {beta}-naphthoflavone ({beta}-NF, 150 mg/kg in olive oil), a noncarinogenic inducer of certain cytochrome P-450 isozymes. Remaining mice were given olive oil prior to MC in the same fashion, or {beta}-NF in olive oil or olive oil alone without subsequent exposure to MC. All mice were killed when moribund or 13 mo after the start of treatment. Most of the mice, irrespective of treatment, exhibited signs of peritoneal injury, including inflammation, necrosis, granuloma formation, and mineralization. Mice of some of the strains also presented peritoneal mesotheliomas, in addition to a variety of other tumors. {beta}-NF pretreatment reduced the frequency of mesotheliomas: there was only one definite mesothelioma in any of the {beta}-NF-MC groups, in a C3H/He mouse. Most of the measotheliomas were mixed fibro-mesothelial type, sometimes with papillary epithelial excrescences. They typically grew in a botryoid pattern within the peritoneal cavity, coating the abdominal organs and sometimes actively invading these organs and the diaphragm. Some lesions exhibited pleomorphism, prominent giant cells, and frequent mitoses. In addition, several lesions consisting of severe mesothelial hyperplasia associated with tissue necrosis and inflammation were considered as possible early stages of mesothelioma development. It was postulated that peritoneal injury imposed by repeated intraperitoneal injection of oil acted as an enhancing factor for mesothelioma induction by MC.

  2. Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbon Cations. 3; The Members

    NASA Technical Reports Server (NTRS)

    Hudgins, D. M.; Allamandola, L. J.; Wittebon, Fred C. (Technical Monitor)

    1994-01-01

    In spite of the fact that the infrared spectroscopic properties of only a few isolated ionized polycyclic aromatic hydrocarbons (PAHs) are known, gaseous, ionized PAHs are thought to be responsible for a very common family of infrared interstellar emission bands. In order to provide a data base to test this hypothesis and, if borne out, to use this emission band family as a probe of many different interstellar environments, we are carrying out a thorough study of the infrared spectroscopic properties of neutral and ionized PAHs in argon matrices. Here we present the near and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene: phenanthrene, pyrene, benzo[e]pyrene, benzo[ghilperylene, and coronene. The properties of naphthalene, the first member of the series, are given elsewhere. The spectra of perdeuterated phenanthrene and pyrene are also reported. For those molecules which have been previously studied (pyrene, d(10)-pyrene, and coronene), band positions and relative intensities are in agreement. In all cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeutero-phenanthrene, pyrene, benzo[ghi]perylene, and coronene cations. With the exception of coronene,the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations the CC stretching and CH in-plane bending modes give rise to bands which are an order of magnitude stronger than for the neutral species, and the CH out-of-plane bends produce bands which are 5-20 times weaker than in the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

  3. Polycyclic aromatic hydrocarbon ecotoxicity data for developing soil quality criteria.

    PubMed

    Jensen, John; Sverdrup, Line E

    2003-01-01

    With the overall perspective of calculating soil quality criteria (SQC) for the group of polycyclic aromatic hydrocarbons (PAHs), the existing ecotoxicity data for the soil compartment have been reviewed. The majority of data useful in the context of deriving SQC are of recent origin. Soil quality criteria are considered valuable tools for assessing the environmental risk of contamination, as they may give guidance on concentration limits for various chemicals to protect the function and structure of ecosystems. Soil quality criteria for soil-dwelling species were calculated using various assumptions and two internationally accepted methods, i.e., application of assessment factors and species sensitivity distributions, respectively. It was suggested to derive ecotoxicological soil quality criteria, which focus on the lower molecular weight PAHs, i.e., those with log Kow values lower than 5.5 or 6; this is the log Kow range where a cutoff in toxicity for terrestrial species is expected for narcotic substances. Predicted values from the two methods were similar. Calculations showed that, for four individual PAHs of three or four rings, SQC fall in the range of 1.0 and 2.5 mg kg(-1). However, as no individual PAH is fond alone it is suggested to use a sum criterion for a group of PAHs instead. The different possibilities to calculate such a sum criterion are discussed. Based on toxicity data presented here and the average abundance of different PAHs in nearly 1000 Danish soil samples, an ecotoxicological soil quality criterion of 25 mg kg(-1) dry weight for the sum of the eight PAHs acenaphthene, fluorene, anthracene, phenanthrene, pyrene, fluoranthene, benz[a]anthracene, and chrysene is suggested.

  4. Fluorescence Spectroscopy of Gas-phase Polycyclic Aromatic Hydrocarbons

    NASA Technical Reports Server (NTRS)

    Thomas, J. D.; Witt, A. N.

    2006-01-01

    The purpose of this investigation was to produce fluorescence spectra of polycyclic aromatic hydrocarbon (PAH) molecules in the gas-phase for comparison with blue luminescence (BL) emission observed in astrophysical sources Vijh et al. (2004, 2005a,b). The BL occurs roughly from 350 to 450 nm, with a sharp peak near 380 nm. PAHs with three to four rings, e.g. anthracene and pyrene, were found to produce luminescence in the appropriate spectral region, based on existing studies. Relatively few studies of the gas-phase fluorescence of PAHs exist; those that do exist have dealt primarily with the same samples commonly available for purchase such as pyrene and anthracene. In an attempt to understand the chemistry of the nebular environment we also obtained several nitrogen substituted PAHs from our colleagues at NASA Ames. In order to simulate the astrophysical environment we also took spectra by heating the PAHs in a flame. The flame environment counteracts the formation of eximers and permits the spectroscopy of free-flying neutral molecules. Experiments with coal tar demonstrate that fluorescence spectroscopy reveals primarily the presence of the smallest molecules, which are most abundant and which possess the highest fluorescence efficiencies. One gas-phase PAH that seems to fit the BL spectrum most closely is phenanthridine. In view of the results from the spectroscopy of coal tar, a compound containing a mixture of PAHs ranging from small to very large PAH molecules, we can not preclude the presence of larger PAHs in interstellar sources exhibiting BL.

  5. Human colon microbiota transform polycyclic aromatic hydrocarbons to estrogenic metabolites.

    PubMed

    Van de Wiele, Tom; Vanhaecke, Lynn; Boeckaert, Charlotte; Peru, Kerry; Headley, John; Verstraete, Willy; Siciliano, Steven

    2005-01-01

    Ingestion is an important exposure route for polycyclic aromatic hydrocarbons (PAHs) to enter the human body. Although the formation of hazardous PAH metabolites by human biotransformation enzymes is well documented, nothing is known about the PAH transformation potency of human intestinal microbiota. Using a gastrointestinal simulator, we show that human intestinal microbiota can also bioactivate PAHs, more in particular to estrogenic metabolites. PAH compounds are not estrogenic, and indeed, stomach and small intestine digestions of 62.5 nmol naphthalene, phenanthrene, pyrene, and benzo(a)pyrene showed no estrogenic effects in the human estrogen receptor bioassay. In contrast, colon digests of these PAH compounds displayed estrogenicity, equivalent to 0.31, 2.14, 2.70, and 1.48 nmol 17alpha-ethynylestradiol (EE2), respectively. Inactivating the colon microbiota eliminated these estrogenic effects. Liquid chromatography-mass spectrometry analysis confirmed the microbial PAH transformation by the detection of PAH metabolites 1-hydroxypyrene and 7-hydroxybenzo(a)pyrene in colon digests of pyrene and benzo(a)pyrene. Furthermore, we show that colon digests of a PAH-contaminated soil (simulated ingestion dose of 5 g/day) displayed estrogenic activity equivalent to 0.58 nmol EE2, whereas stomach or small intestine digests did not. Although the matrix in which PAHs are ingested may result in lower exposure concentrations in the gut, our results imply that the PAH bioactivation potency of colon microbiota is not eliminated by the presence of soil. Moreover, because PAH toxicity is also linked to estrogenicity of the compounds, the PAH bioactivation potency of colon microbiota suggests that current risk assessment may underestimate the risk from ingested PAHs.

  6. Identification and discrimination of polycyclic aromatic hydrocarbons using Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Cloutis, Edward; Szymanski, Paul; Applin, Daniel; Goltz, Douglas

    2016-08-01

    Polycyclic aromatic hydrocarbons (PAHs) are widely present throughout the Solar System and beyond. They have been implicated as a contributor to unidentified infrared emission bands in the interstellar medium, comprise a substantial portion of the insoluble organic matter in carbonaceous chondrites, are expected stable components of organic matter on Mars, and are present in a wide range of terrestrial hydrocarbons and as components of biomolecules. However, PAH structures can be very complicated, making their identification challenging. Raman spectroscopy is known to be especially sensitive to the highly polarizable C-C and C=C bonds found in PAHs, and therefore, can be a powerful tool for PAH structural and compositional elucidation. This study examined Raman spectra of 48 different PAHs to determine the degree to which Raman spectroscopy could be used to uniquely identify different species, factors that control the positions of major Raman peaks, the degree to which induced fluorescence affects the intensity of Raman peaks, its usefulness for PAH discrimination, and the effects of varying excitation wavelength on some PAH Raman spectra. It was found that the arrangement and composition of phenyl (benzene) rings, and the type and position of functional groups can greatly affect fluorescence, positions and intensities of Raman peaks associated with the PAH backbone, and the introduction of new Raman peaks. Among the functional groups found on many of the PAHs that were analyzed, only a few Raman peaks corresponding to the molecular vibrations of these groups could be clearly distinguished. Comparison of the PAH Raman spectra that were acquired with both 532 and 785 nm excitation found that the longer wavelength resulted in reduced fluorescence, consistent with previous studies.

  7. Polycyclic aromatic hydrocarbons and heavy metals in Kostrena coastal area.

    PubMed

    Linsak, Dijana Tomić; Linsak, Zeljko; Besić, Denis; Vojcić, Nina; Telezar, Mirna; Coklo, Miran; Susnić, Sasa; Mićović, Vladimir

    2011-12-01

    The aim of this study was to determine pollution by polycyclic aromatic hydrocarbons (PAH) and heavy metals in seawater and sediment in Kostrena coastal area, as well as their toxicity using bioluminescence based tests. Total PAH concentration in seawater ranged 1.7-155.3 ng/L. The share of carcinogenetic PAH was relatively high, ranging 22-48.3%. Nickel concentrations in seawater were beyond detection limits (< 0.1 microg/L), vanadium concentrations ranged 0.66-1.96 microg/L, chrome concentrations were beyond detection limits, and copper concentrations were also beyond detection limits or extremely low (up to 0.32 microg/L). EC50 values in seawater ranged 23.80-90.90 ng/L. Correlation between total PAH concentration and toxicity of seawater showed strong connection between them (r = 0.9579). Total PAH concentration in marine sediment ranged 58.02-1116 microg/kg dry weight (d.w.). The share of carcinogenetic PAH was extremely high ranging 10-53%. Nickel concentrations in marine sediment ranged 8-24 mg/kg d.w., vanadium concentrations ranged 24-42 mg/kg d.w., chrome concentrations ranged 11-19 mg/kg d.w., and copper concentrations ranged 7-25 mg/kg d.w. EC50 values in marine sediment ranged 818-4596 microg/kg d.w. Correlation between total PAH concentration and toxicity of marine sediment showed weak connection between them (r = 0.2590). Previous studies of seawater samples from areas of the Adriatic sea under the direct influence of oil industry did not include concentrations of heavy metals, which makes our study the first to present such comprehensive results. Our results point out the need for further evaluations and following of marine environment pollution and its consequences on living organisms and marine ecosystem in whole.

  8. Exposure to polycyclic aromatic hydrocarbons among Dutch children.

    PubMed

    van Wijnen, J H; Slob, R; Jongmans-Liedekerken, G; van de Weerdt, R H; Woudenberg, F

    1996-05-01

    We determined the urinary 1-hydroxypyrene (1-HP) concentration and the creatinine-adjusted 1-HP concentration in 644 randomly selected Dutch children, aged 1-6 years and living in five areas with roughly different levels of polycyclic aromatic hydrocarbons (PAHs) in soil and ambient air. The presence of other factors that might influence the exposure to PAHs was studied using a questionnaire. To evaluate the reliability of a single urinary 1-HP determination, measurements were repeated after 3 weeks for approximately 200 children. The mean urinary 1-HP content of the total study population was 2.06 nmol/l. This varied from 1.58 nmol/l in the reference area (Flevoland) to 2.71 nmol/l in the valley of the Geul. Only indoor sources of PAHs showed a small, positive association with urinary 1-HP. The urinary 1-HP concentrations of children from the valley of the Geul were higher (p < 0.01) and those of children from a suburb of Amsterdam were lower (p < 0.01) than those of children from the reference area. The possible ambient environment-related differences were probably too small to be detected in the variations of the intake of PAHs from the daily diet. The reliability of a single 1-HP measurement was low. Similar results were obtained with the creatinine-adjusted data. In one neighborhood built on coal-mine tailings, the urinary 1-HP content in children was weakly but positively associated with the PAH content in the upper soil layer of the garden of their homes. However, this association was not found for the children from the other neighborhood built on coal-mine tailings and with similar PAH levels in soil.

  9. Sorption of polycyclic aromatic hydrocarbons (PAHs) on glass surfaces.

    PubMed

    Qian, Yuan; Posch, Tjorben; Schmidt, Torsten C

    2011-02-01

    Sorption of polycyclic aromatic hydrocarbons (PAHs) to glass commonly used in laboratories was studied. Sorption coefficients (Kd) of five selected PAHs to borosilicate glass surfaces were measured using column chromatography. A linear relationship between log Kd and the corresponding water solubility of the subcooled liquid (log Sw) of the investigated PAHs was observed. Based on the determined sorption coefficients our data revealed that mass loss caused by sorption on glass walls strongly depends on the ratio of solution volume to contacted surface area (V/S). The influence of solution chemistry such as ionic strength, solution pH, presence of cosolvent, and the influence of temperature on the sorption process were investigated. In the presence of ionic strength, sorption coefficients concurrently increased but less than a factor of 2 up to 0.005 M calcium chloride concentration. However, further increasing ionic strength had no influence on Kd. The cosolvent reduced sorption at a concentration of methanol in water above 0.5% (v/v); however, for benzo[a]pyrene even with 10% (v/v) methanol the mass loss would be still higher than 10% (with a V/S ratio less than 0.25). Significant effects of the solution pH and temperature were not observed. These results suggest that van der Waal's forces dominate the sorption process. In the analysis of highly hydrophobic PAHs in aqueous samples, mass loss due to sorption on glass walls should be accounted for in the final result if untreated glass is used. The presented relationship between log Kd and log Sw may help to decide if such a correction is necessary. Furthermore, the frequently used silanization of glass surfaces may not be sufficient to suppress sorption for large PAHs.

  10. Dissociation of polycyclic aromatic hydrocarbons: molecular dynamics studies

    NASA Astrophysics Data System (ADS)

    Simon, A.; Rapacioli, M.; Rouaut, G.; Trinquier, G.; Gadéa, F. X.

    2017-03-01

    We present dynamical studies of the dissociation of polycyclic aromatic hydrocarbon (PAH) radical cations in their ground electronic states with significant internal energy. Molecular dynamics simulations are performed, the electronic structure being described on-the-fly at the self-consistent-charge density functional-based tight binding (SCC-DFTB) level of theory. The SCC-DFTB approach is first benchmarked against DFT results. Extensive simulations are achieved for naphthalene , pyrene and coronene at several energies. Such studies enable one to derive significant trends on branching ratios, kinetics, structures and hints on the formation mechanism of the ejected neutral fragments. In particular, dependence of branching ratios on PAH size and energy were retrieved. The losses of H and C2H2 (recognized as the ethyne molecule) were identified as major dissociation channels. The H/C2H2 ratio was found to increase with PAH size and to decrease with energy. For , which is the most interesting PAH from the astrophysical point of view, the loss of H was found as the quasi-only channel for an internal energy of 30 eV. Overall, in line with experimental trends, decreasing the internal energy or increasing the PAH size will favour the hydrogen loss channels with respect to carbonaceous fragments. This article is part of the themed issue 'Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces'.

  11. Ambient polycyclic aromatic hydrocarbons and pulmonary function in children

    PubMed Central

    Padula, Amy M.; Balmes, John R.; Eisen, Ellen A.; Mann, Jennifer; Noth, Elizabeth M.; Lurmann, Frederick W.; Pratt, Boriana; Tager, Ira B.; Nadeau, Kari; Hammond, S. Katharine

    2014-01-01

    Few studies have examined the relationship between ambient polycyclic aromatic hydrocarbons (PAHs) and pulmonary function in children. Major sources include vehicular emissions, home heating, wildland fires, agricultural burning, and power plants. PAHs are an important component of fine particulate matter that has been linked to respiratory health. This cross-sectional study examines the relationship between estimated individual exposures to the sum of PAHs with 4, 5, or 6 rings (PAH456) and pulmonary function tests (forced expiratory volume in one second (FEV1) and forced expiratory flow between 25% and 75% of vital capacity) in asthmatic and non-asthmatic children. We applied land-use regression to estimate individual exposures to ambient PAHs for averaging periods ranging from 1 week to 1 year. We used linear regression to estimate the relationship between exposure to PAH456 with pre- and postbronchodilator pulmonary function tests in children in Fresno, California (N =297). Among non-asthmatics, there was a statistically significant association between PAH456 during the previous 3 months, 6 months, and 1 year and postbronchodilator FEV1. The magnitude of the association increased with the length of the averaging period ranging from 60 to 110 ml decrease in FEV1 for each 1 ng/m3 increase in PAH456. There were no associations with PAH456 observed among asthmatic children. We identified an association between annual PAHs and chronic pulmonary function in children without asthma. Additional studies are needed to further explore the association between exposure to PAHs and pulmonary function, especially with regard to differential effects between asthmatic and non-asthmatic children. PMID:24938508

  12. Polycyclic aromatic hydrocarbons in surface sediments of the Jialu River.

    PubMed

    Fu, Jie; Sheng, Sheng; Wen, Teng; Zhang, Zhi-Ming; Wang, Qing; Hu, Qiu-Xiang; Li, Qing-Shan; An, Shu-Qing; Zhu, Hai-Liang

    2011-07-01

    The Jialu River, an important branch of the Huaihe River in China, was seriously polluted because of rapid economic growth and urbanization. In order to evaluate the potential for serious environmental consequences as a result of anthropogenic contamination, the distribution of polycyclic aromatic hydrocarbons (PAHs) has been investigated in surface sediment samples collected in connection with field surveys of 19 sites along the Jialu River. The total concentration of the 16 USEPA priority PAHs ranged from 466.0 to 2605.6 ng/g dry weight with a mean concentration of 1363.2 ng/g. Sediment samples with the highest PAH concentrations were from the upper reaches of the river, where Zhengzhou City is located; the PAH levels in the middle and lower reaches were relatively low. According to the observed molecular indices, PAHs originated largely from the high-temperature pyrolytic process. According to the numerical effect-based sediment quality guidelines (SQGs) of the United States, the levels of PAHs in the Jialu River should not exert adverse biological effects. The total benzo[a]pyrene toxicity equivalent (TEQ) values calculated for samples varied from 50.4 to 312.8 ng/g dry weight with an average of 167.4 ng/g. The relationships between PAHs and environmental factors, including chemical properties of sediments, water quality, aquatic organisms, hydrological conditions, and anthropogenic activities, are also discussed. PAHs exerted a potential negative impact on the benthos. Settlement percentage, population density and industrial GDP per capita had a significant influence on the distribution of PAHs.

  13. Generation of polycyclic aromatic hydrocarbons (PAHs) during woodworking operations

    PubMed Central

    Bruschweiler, Evin D.; Danuser, Brigitta; Huynh, Cong Khanh; Wild, Pascal; Schupfer, Patrick; Vernez, David; Boiteux, Philippe; Hopf, Nancy B.

    2012-01-01

    Occupational exposures to wood dust have been associated with an elevated risk of sinonasal cancer (SNC). Wood dust is recognized as a human carcinogen but the specific cancer causative agent remains unknown. One possible explanation is a co-exposure to; wood dust and polycyclic aromatic hydrocarbons (PAHs). PAHs could be generated during incomplete combustion of wood due to heat created by use of power tools. To determine if PAHs are generated from wood during common wood working operations, PAH concentrations in wood dust samples collected in an experimental chamber operated under controlled conditions were analyzed. In addition, personal air samples from workers exposed to wood dust (n = 30) were collected. Wood dust was generated using three different power tools: vibrating sander, belt sander, and saw; and six wood materials: fir, Medium Density Fiberboard (MDF), beech, mahogany, oak and wood melamine. Monitoring of wood workers was carried out by means of personal sampler device during wood working operations. We measured 21 PAH concentrations in wood dust samples by capillary gas chromatography-ion trap mass spectrometry (GC-MS). Total PAH concentrations in wood dust varied greatly (0.24–7.95 ppm) with the lowest being in MDF dust and the highest in wood melamine dust. Personal PAH exposures were between 37.5–119.8 ng m−3 during wood working operations. Our results suggest that PAH exposures are present during woodworking operations and hence could play a role in the mechanism of cancer induction related to wood dust exposure. PMID:23087908

  14. Polycyclic Aromatic Hydrocarbons: From Metabolism to Lung Cancer

    PubMed Central

    Moorthy, Bhagavatula; Chu, Chun; Carlin, Danielle J.

    2015-01-01

    Excessive exposure to polycyclic aromatic hydrocarbons (PAHs) often results in lung cancer, a disease with the highest cancer mortality in the United States. After entry into the lung, PAHs induce phase I metabolic enzymes such as cytochrome P450 (CYP) monooxygenases, i.e. CYP1A1/2 and 1B1, and phase II enzymes such as glutathione S-transferases, UDP glucuronyl transferases, NADPH quinone oxidoreductases (NQOs), aldo-keto reductases (AKRs), and epoxide hydrolases (EHs), via the aryl hydrocarbon receptor (AhR)-dependent and independent pathways. Humans can also be exposed to PAHs through diet, via consumption of charcoal broiled foods. Metabolism of PAHs through the CYP1A1/1B1/EH pathway, CYP peroxidase pathway, and AKR pathway leads to the formation of the active carcinogens diol-epoxides, radical cations, and o-quinones. These reactive metabolites produce DNA adducts, resulting in DNA mutations, alteration of gene expression profiles, and tumorigenesis. Mutations in xenobiotic metabolic enzymes, as well as polymorphisms of tumor suppressor genes (e.g. p53) and/or genes involved in gene expression (e.g. X-ray repair cross-complementing proteins), are associated with lung cancer susceptibility in human populations from different ethnicities, gender, and age groups. Although various metabolic activation/inactivation pathways, AhR signaling, and genetic susceptibilities contribute to lung cancer, the precise points at which PAHs induce tumor initiation remain unknown. The goal of this review is to provide a current state-of-the-science of the mechanisms of human lung carcinogenesis mediated by PAHs, the experimental approaches used to study this complex class of compounds, and future directions for research of these compounds. PMID:25911656

  15. Polycyclic aromatic hydrocarbons and digestive tract cancers: a perspective.

    PubMed

    Diggs, Deacqunita L; Huderson, Ashley C; Harris, Kelly L; Myers, Jeremy N; Banks, Leah D; Rekhadevi, Perumalla V; Niaz, Mohammad S; Ramesh, Aramandla

    2011-10-01

    Cancers of the colon are most common in the Western world. In majority of these cases, there is no familial history and sporadic gene damage seems to play an important role in the development of tumors in the colon. Studies have shown that environmental factors, especially diet, play an important role in susceptibility to gastrointestinal (GI) tract cancers. Consequently, environmental chemicals that contaminate food or diet during preparation become important in the development of GI cancers. Polycyclic aromatic hydrocarbons (PAHs) are one such family of ubiquitous environmental toxicants. These pollutants enter the human body through consumption of contaminated food, drinking water, inhalation of cigarette smoke, automobile exhausts, and contaminated air from occupational settings. Among these pathways, dietary intake of PAHs constitutes a major source of exposure in humans. Although many reviews and books on PAHs and their ability to cause toxicity and breast or lung cancer have been published, aspects on contribution of diet, smoking and other factors toward development of digestive tract cancers, and strategies to assess risk from exposure to PAHs have received much less attention. This review, therefore, focuses on dietary intake of PAHs in humans, animal models, and cell cultures used for GI cancer studies along with epidemiological findings. Bioavailability and biotransformation processes, which influence the disposition of PAHs in body and the underlying causative mechanisms of GI cancers, are also discussed. The existing data gaps and scope for future studies is also emphasized. This information is expected to stimulate research on mechanisms of sporadic GI cancers caused by exposure to environmental carcinogens.

  16. Phototoxic target lipid model of single polycyclic aromatic hydrocarbons.

    PubMed

    Marzooghi, Solmaz; Finch, Bryson E; Stubblefield, William A; Dmitrenko, Olga; Neal, Sharon L; Di Toro, Dominic M

    2017-04-01

    A phototoxic target lipid model (PTLM) is developed to predict phototoxicity of individual polycyclic aromatic hydrocarbons (PAHs) measured either as median lethal concentration (LC50) or median lethal time (LT50) for a 50% toxic response. The model is able to account for the differences in the physical/chemical properties of PAHs, test species sensitivities, and variations in light source characteristics, intensity, and length of exposure. The PTLM is based on the narcotic target lipid model (NTLM) of PAHs. Both models rely on the assumption that mortality occurs when the toxicant concentration in the target lipid of the organism reaches a threshold concentration. The PTLM is applied to observed LC50s and LT50s for 20 individual PAHs, 15 test species-including arthropods, fishes, amphibians, annelids, mollusks, and algae-exposed to simulated solar and various UV light sources, for exposure times varying from less than 1 h to 100 h, a total of 333 observations. The LC50 concentrations range from less than 0.1 µg/L to greater that 10(4)  µg/L. The model has 2 fitting parameters that are constant and apply to all PAHs and organisms. The root mean square errors of prediction for log(LC50) and log(LT50) are 0.473 and 0.382, respectively. The results indicate that the PTLM can predict the phototoxicity of single PAHs over a wide range of exposure conditions and to organisms with a wide range of sensitivities. Environ Toxicol Chem 2017;36:926-937. © 2016 SETAC. © 2016 SETAC.

  17. Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbon Cations. 3; The Members

    NASA Technical Reports Server (NTRS)

    Hudgins, D. M.; Allamandola, L. J.; Wittebon, Fred C. (Technical Monitor)

    1994-01-01

    In spite of the fact that the infrared spectroscopic properties of only a few isolated ionized polycyclic aromatic hydrocarbons (PAHs) are known, gaseous, ionized PAHs are thought to be responsible for a very common family of infrared interstellar emission bands. In order to provide a data base to test this hypothesis and, if borne out, to use this emission band family as a probe of many different interstellar environments, we are carrying out a thorough study of the infrared spectroscopic properties of neutral and ionized PAHs in argon matrices. Here we present the near and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene: phenanthrene, pyrene, benzo[e]pyrene, benzo[ghilperylene, and coronene. The properties of naphthalene, the first member of the series, are given elsewhere. The spectra of perdeuterated phenanthrene and pyrene are also reported. For those molecules which have been previously studied (pyrene, d(10)-pyrene, and coronene), band positions and relative intensities are in agreement. In all cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeutero-phenanthrene, pyrene, benzo[ghi]perylene, and coronene cations. With the exception of coronene,the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations the CC stretching and CH in-plane bending modes give rise to bands which are an order of magnitude stronger than for the neutral species, and the CH out-of-plane bends produce bands which are 5-20 times weaker than in the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

  18. Ambient polycyclic aromatic hydrocarbons and pulmonary function in children.

    PubMed

    Padula, Amy M; Balmes, John R; Eisen, Ellen A; Mann, Jennifer; Noth, Elizabeth M; Lurmann, Frederick W; Pratt, Boriana; Tager, Ira B; Nadeau, Kari; Hammond, S Katharine

    2015-05-01

    Few studies have examined the relationship between ambient polycyclic aromatic hydrocarbons (PAHs) and pulmonary function in children. Major sources include vehicular emissions, home heating, wildland fires, agricultural burning, and power plants. PAHs are an important component of fine particulate matter that has been linked to respiratory health. This cross-sectional study examines the relationship between estimated individual exposures to the sum of PAHs with 4, 5, or 6 rings (PAH456) and pulmonary function tests (forced expiratory volume in one second (FEV1) and forced expiratory flow between 25% and 75% of vital capacity) in asthmatic and non-asthmatic children. We applied land-use regression to estimate individual exposures to ambient PAHs for averaging periods ranging from 1 week to 1 year. We used linear regression to estimate the relationship between exposure to PAH456 with pre- and postbronchodilator pulmonary function tests in children in Fresno, California (N=297). Among non-asthmatics, there was a statistically significant association between PAH456 during the previous 3 months, 6 months, and 1 year and postbronchodilator FEV1. The magnitude of the association increased with the length of the averaging period ranging from 60 to 110 ml decrease in FEV1 for each 1 ng/m(3) increase in PAH456. There were no associations with PAH456 observed among asthmatic children. We identified an association between annual PAHs and chronic pulmonary function in children without asthma. Additional studies are needed to further explore the association between exposure to PAHs and pulmonary function, especially with regard to differential effects between asthmatic and non-asthmatic children.

  19. STRONG POLYCYCLIC AROMATIC HYDROCARBON EMISSION FROM z {approx} 2 ULIRGs

    SciTech Connect

    Desai, Vandana; Soifer, B. T.; Melbourne, Jason; Dey, Arjun; Brand, Kate; Brodwin, Mark; Jannuzi, Buell T.; Le Floc'h, Emeric; Armus, Lee; Teplitz, Harry; Brown, Michael J. I.; Houck, James R.; Weedman, Daniel W.; Ashby, Matthew L. N.; Huang Jiasheng; Smith, Howard A.; Willner, Steve P.; Gonzalez, Anthony

    2009-08-01

    Using the Infrared Spectrograph on board the Spitzer Space Telescope, we present low-resolution (64 < {lambda}/{delta}{lambda} < 124), mid-infrared (20-38 {mu}m) spectra of 23 high-redshift ULIRGs detected in the Booetes field of the NOAO Deep Wide-Field Survey. All of the sources were selected to have (1) f {sub {nu}}(24 {mu}m)>0.5 mJy; (2) R - [24]>14 Vega mag; and (3) a prominent rest frame 1.6 {mu}m stellar photospheric feature redshifted into Spitzer's 3-8 {mu}m IRAC bands. Of these, 20 show emission from polycyclic aromatic hydrocarbons (PAHs), usually interpreted as signatures of star formation. The PAH features indicate redshifts in the range 1.5 < z < 3.0, with a mean of (z) = 1.96 and a dispersion of 0.30. Based on local templates, these sources have extremely large infrared luminosities, comparable to that of submillimeter galaxies. Our results confirm previous indications that the rest-frame 1.6 {mu}m stellar bump can be efficiently used to select highly obscured star-forming galaxies at z {approx} 2, and that the fraction of starburst-dominated ULIRGs increases to faint 24 {mu}m flux densities. Using local templates, we find that the observed narrow redshift distribution is due to the fact that the 24 {mu}m detectability of PAH-rich sources peaks sharply at z = 1.9. We can analogously use observed spectral energy distributions to explain the broader redshift distribution of Spitzer-detected ULIRGs that are dominated by an active galactic nucleus (AGN). Finally, we conclude that z {approx} 2 sources with a detectable 1.6 {mu}m stellar opacity feature lack sufficient AGN emission to veil the 7.7 {mu}m PAH band.

  20. High levels of carcinogenic polycyclic aromatic hydrocarbons in mate drinks.

    PubMed

    Kamangar, Farin; Schantz, Michele M; Abnet, Christian C; Fagundes, Renato B; Dawsey, Sanford M

    2008-05-01

    Drinking mate has been associated with cancers of the esophagus, oropharynx, larynx, lung, kidney, and bladder. We conducted this study to determine whether drinking mate could lead to substantial exposure to polycyclic aromatic hydrocarbons (PAH), including known carcinogens, such as benzo[a]pyrene. The concentrations of 21 individual PAHs were measured in dry leaves of eight commercial brands of yerba mate and in infusions made with hot (80 degrees C) or cold (5 degrees C) water. Measurements were done using gas chromatography/mass spectrometry, with deuterated PAHs as the surrogates. Infusions were made by adding water to the leaves, removing the resulting infusion after 5 min, and then adding more water to the remaining leaves. This process was repeated 12 times for each infusion temperature. The total concentrations of the 21 PAHs in different brands of yerba mate ranged from 536 to 2,906 ng/g dry leaves. Benzo[a]pyrene concentrations ranged from 8.03 to 53.3 ng/g dry leaves. For the mate infusions prepared using hot water and brand 1, 37% (1,092 of 2,906 ng) of the total measured PAHs and 50% (25.1 of 50 ng) of the benzo[a]pyrene content were released into the 12 infusions. Similar results were obtained for other hot and cold infusions. Very high concentrations of carcinogenic PAHs were found in yerba mate leaves and in hot and cold mate infusions. Our results support the hypothesis that the carcinogenicity of mate may be related to its PAH content.

  1. Exposure to polycyclic aromatic hydrocarbons among Dutch children

    SciTech Connect

    Wijnen, J.H. van; Slob, R.; Jongmans-Liedekerken, G.

    1996-05-01

    We determined the urinary 1-hydroxypyrene (1-HP) concentration and the creatinine-adjusted 1-HP concentration in 644 randomly selected Dutch children, aged 1-6 years and living in five areas with roughly different levels of polycyclic aromatic hydrocarbons (PAHs) in soil and ambient air. The presence of other factors that might influence the exposure to PAHs was studied using a questionnaire. To evaluate the reliability of a single urinary 1-HP determination, measurements were repeated after 3 weeks for approximately 200 children. The mean urinary 1-HP content of the total study population was 2.06 nmol/1. This varied from 1.58 nmol/l in the reference area (Flevoland) to 2.71 nmol/l in the valley of the Geul. Only indoor sources of PAHs showed a small, positive association with urinary 1-HP. The urinary 1-HP concentrations of children from the valley of the Geul were higher (p<0.01) and those of children from a suburb of Amsterdam were lower (p<0.01) than those of children from the reference area. The possible ambient environment-related differences were probably too small to be detected in the variations of the intake of PAHs from the daily diet. The reliability of a single 1-HP measurement was low. Similar results were obtained with the creatinine-adjusted data. In one neighborhood built on coal-mine tailings, the urinary 1-HP content in children was weakly but positively associated with the PAH content in the upper soil layer of the garden of their homes. However, this association was not found for the children from the other neighborhood built on coal-mine tailings and with similar PAH levels in soil. 25 refs., 4 tabs.

  2. First evidence of Dinophysistoxin-1 ester and carcinogenic polycyclic aromatic hydrocarbons in smoked bivalves collected in the Patagonia fjords.

    PubMed

    García, Carlos; González, Viviana; Cornejo, Carlos; Palma-Fleming, Hernán; Lagos, Néstor

    2004-02-01

    Diarrhetic shellfish poisoning (DSP) is a gastrointestinal disease caused by fat-soluble polyether toxins produced by dinoflagellates and accumulated in shellfish. Up to the present, only four fat-soluble polyethers have been known as diarrhetic shellfish toxins. Among them,*** Okadaic acid, Dinophysistoxin-1, Dinophysistoxin-2 and Dinophysistoxin-3. Outbreaks associated with DSP have occurred in the Chilean Patagonia fjords since 1970. Native people, who live in small communities close to the southern fjords, smoke fresh shellfish. During this popular smoking procedure, they impregnate the shellfish with polycyclic aromatic hydrocarbons, as incomplete combustion products, which are potent carcinogenic compounds, this product is sold in local markets without phycotoxins analysis or inclusion in any monitoring program. The present paper shows, DSP phycotoxins quantitation, using high performance liquid chromatography with fluorescent and mass spectrometric detection and the measurements of polycyclic aromatic hydrocarbons by gas chromatography with mass detection, in smoked shellfish samples. The presence of Dinophysistoxin-3, the Dinophysistoxin-1 ester (7-O-acyl-derivatives of dinophysistoxin-1), was assessed in all shellfish samples analyzed. The 7-OH in Dinophysistoxin-1 was esterified with palmitic fatty acid. The shellfish meat contains seven polycyclic aromatic hydrocarbons, among them fluoranthene, phenanthrene, anthracene, pyrene and benzo[a]pyrene. The gas chromatography-mass spectrometry analysis showed four of the six most frequent carcinogenic polycyclic aromatic hydrocarbons reported. The content of benzo[a]pyrene in the Razor Clam and Ribbed Mussel were 78.61 and 4.94 ng/g of shellfish dry weight, respectively. In both cases the benzo[a]pyrene amounts were greater than the acceptable tolerance limits of 1 microg/kg of sample. The Razor Clam samples also show amount further above the maximum label regulated by FAO/WHO (10 microg/kg). The presence of

  3. Effects of enrichment with phthalate on polycyclic aromatic hydrocarbon biodegradation in contaminated soil.

    PubMed

    Singleton, David R; Richardson, Stephen D; Aitken, Michael D

    2008-07-01

    The effect of enrichment with phthalate on the biodegradation of polycyclic aromatic hydrocarbons (PAH) was tested with bioreactor-treated and untreated contaminated soil from a former manufactured gas plant (MGP) site. Soil samples that had been treated in a bioreactor and enriched with phthalate mineralized (14)C-labeled phenanthrene and pyrene to a greater extent than unenriched samples over a 22.5-h incubation, but did not stimulate benzo[a]pyrene mineralization. In contrast to the positive effects on (14)C-labeled phenanthrene and pyrene, no significant differences were found in the extent of biodegradation of native PAH when untreated contaminated soil was incubated with and without phthalate amendment. Denaturing-gradient gel electrophoresis (DGGE) profiles of bacterial 16S rRNA genes from unenriched and phthalate-enriched soil samples were substantially different, and clonal sequences matched to prominent DGGE bands revealed that beta-Proteobacteria related to Ralstonia were most highly enriched by phthalate addition. Quantitative real-time PCR analyses confirmed that, of previously determined PAH-degraders in the bioreactor, only Ralstonia-type organisms increased in response to enrichment, accounting for 89% of the additional bacterial 16S rRNA genes resulting from phthalate enrichment. These findings indicate that phthalate amendment of this particular PAH-contaminated soil did not significantly enrich for organisms associated with high molecular weight PAH degradation or have any significant effect on overall degradation of native PAH in the soil.

  4. Ab initio calculation of through-space magnetic shielding of linear polycyclic aromatic hydrocarbons (acenes): extent of aromaticity.

    PubMed

    Martin, Ned H; Caldwell, Brian W; Carlson, Katie P; Teague, Matthew R

    2009-02-01

    GIAO-HF within Gaussian 03 was employed to compute the NMR isotropic shielding values of a diatomic hydrogen probe above a series of acenes (linear polycyclic aromatic hydrocarbons). Subtraction of the isotropic shielding of diatomic hydrogen by itself allowed the determination of computed through-space proton NMR shielding increment surfaces for these systems. Shielding was observed above the center of each aromatic ring, but the magnitude of calculated shielding above each ring center depends on the number of fused benzenoid rings. The computed shielding increments above each ring center were correlated to other measures of extent of aromaticity, including geometric, energetic, and magnetic measurements.

  5. Fusing porphyrins with polycyclic aromatic hydrocarbons and heterocycles for optoelectronic applications

    DOEpatents

    Thompson, Mark E.; Diev, Viacheslav; Hanson, Kenneth; Forrest, Stephen R.

    2015-08-18

    A compound that can be used as a donor material in organic photovoltaic devices comprising a non-activated porphyrin fused with one or more non-activated polycyclic aromatic rings or one or more non-activated heterocyclic rings can be obtained by a thermal fusion process. The compounds can include structures of Formula I: ##STR00001## By heating the reaction mixture of non-activated porphyrins with non-activated polycyclic aromatic rings or heterocyclic rings to a fusion temperature and holding for a predetermined time, fusion of one or more polycyclic rings or heterocyclic rings to the non-activated porphyrin core in meso,.beta. fashion is achieved resulting in hybrid structures containing a distorted porphyrin ring with annulated aromatic rings. The porphyrin core can be olygoporphyrins.

  6. Risk assessment of occupational exposure to polycyclic aromatic hydrocarbons by means of urinary1-hydroxypyrene.

    PubMed

    Maina, Giovanni; Manzari, Marco; Palmas, Antonio; Passini, Valter; Filon, Francesca Larese

    2007-02-01

    Polycyclic aromatic hydrocarbons have mutagenic and carcinogenic properties and some of them are classified as probable or possible human carcinogens. Aim of this study was to evaluate the genotoxic risk in workers exposed to diesel exaust. Environmental and biological monitoring exposure to polycyclic aromatic hydrocarbons was carried out on fifty-two workers exposed to diesel exhaust. Urinary 1-hydroxypyrene was employed as a biomarker of internal dose. Significant urinary 1-hydroxypyrene differences between smokers and non-smokers were found. Twenty per cent of urinary 1-hydroxypyrene values exceeded benchmark level for genotoxic effect, while the results of environmental monitoring excluded the existence of exposure to polycyclic aromatic hydrocarbons. In the absence of greater knowledge about the relationship between urinary 1-hydroxypyrene and genotoxic effects under the conditions of very low exposure, extreme caution is recommended when this biomarker of internal dose is employed as an indicator of genotoxic risk.

  7. Absorption of nitro-polycyclic aromatic hydrocarbons by biomembrane models: effect of the medium lipophilicity.

    PubMed

    Castelli, Francesco; Micieli, Dorotea; Ottimo, Sara; Minniti, Zelica; Sarpietro, Maria Grazia; Librando, Vito

    2008-10-01

    To demonstrate the relationship between the structure of nitro-polycyclic aromatic hydrocarbons and their effect on biomembranes, we have investigated the influence of three structurally different nitro-polycyclic aromatic hydrocarbons, 2-nitrofluorene, 2,7-dinitrofluorene and 3-nitrofluoranthene, on the thermotropic behavior of dimyristoylphosphatidylcholine multilamellar vesicles, used as biomembrane models, by means of differential scanning calorimetry. The obtained results indicate that the studied nitro-polycyclic aromatic hydrocarbons affected the thermotropic behavior of multilamellar vesicles to various extents, modifying the pretransition and the main phase transition peaks and shifting them to lower temperatures. The effect of the aqueous and lipophilic medium on the absorption process of these compounds by the biomembrane models has been also investigated revealing that the process is hindered by the aqueous medium but strongly allowed by the lipophilic medium.

  8. Polycyclic aromatic hydrocarbons profiles of spent drilling fluids deposited at Emu-Uno, Delta State, Nigeria.

    PubMed

    Iwegbue, Chukwujindu M A

    2011-10-01

    The concentrations and profiles of polycyclic aromatic hydrocarbons were determined in spent drilling fluid deposited at Emu-Uno, Delta State of Nigeria. The total concentrations of polycyclic aromatic hydrocarbons in the spent drilling fluid deposits ranged between 40 and 770 μg kg(-1). The PAHs profile were predominantly 2- and 3-rings with acenaphthalene, phenanthrene, fluorene being the predominant PAHs. The prevalence of 2- and 3-rings PAHs in the spent drilling fluid deposits indicate contamination of the drilling fluids with crude oil during drilling. Incorporation of spent drilling fluids into the soil has serious implication for soil, surface water and groundwater quality.

  9. Remediation of polycyclic aromatic hydrocarbons. (Latest citations from Pollution abstracts). Published Search

    SciTech Connect

    1995-10-01

    The bibliography contains citations concerning the removal of polycyclic aromatic hydrocarbons from contaminated soil or water. The chemical or biological processes that destroy these contaminants or reduce their toxicity are discussed. Techniques include treatments used in above-ground reactors or in situ detoxification of contaminated sites. The citations examine the relationship between the chemical structure of polycyclic aromatic hydrocarbons and rate of decomposition; selection of the most effective microorganisms for biological degradation; and factors which can accelerate or inhibit degradation.(Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)

  10. Remediation of polycyclic aromatic hydrocarbons. (Latest citations from Pollution Abstracts). Published Search

    SciTech Connect

    1995-03-01

    The bibliography contains citations concerning the removal of polycyclic aromatic hydrocarbons from contaminated soil or water. The chemical or biological processes that destroy these contaminants or reduce their toxicity are discussed. Techniques include treatments used in above-ground reactors or in situ detoxification of contaminated sites. The citations examine the relationship between the chemical structure of polycyclic aromatic hydrocarbons and rate of decomposition; selection of the most effective microorganisms for biological degradation; and factors which can accelerate or inhibit degradation. (Contains a minimum of 108 citations and includes a subject term index and title list.)

  11. Remediation of polycyclic aromatic hydrocarbons. (Latest citations from Pollution Abstracts). Published Search

    SciTech Connect

    1996-12-01

    The bibliography contains citations concerning the removal of polycyclic aromatic hydrocarbons from contaminated soil or water. The chemical or biological processes that destroy these contaminants or reduce their toxicity are discussed. Techniques include treatments used in above-ground reactors or in situ detoxification of contaminated sites. The citations examine the relationship between the chemical structure of polycyclic aromatic hydrocarbons and rate of decomposition; selection of the most effective microorganisms for biological degradation; and factors which can accelerate or inhibit degradation.(Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)

  12. Remediation of polycyclic aromatic hydrocarbons. (Ltest citations from Pollution abstracts). Published Search

    SciTech Connect

    Not Available

    1994-07-01

    The bibliography contains citations concerning the removal of polycyclic aromatic hydrocarbons from contaminated soil or water. The chemical or biological processes that destroy these contaminants or reduce their toxicity are discussed. Techniques include treatments used in above-ground reactors or in situ detoxification of contaminated sites. The citations examine the relationship between the chemical structure of polycyclic aromatic hydrocarbons and rate of decomposition; selection of the most effective microorganisms for biological degradation; and factors which can accelerate or inhibit degradation. (Contains a minimum of 82 citations and includes a subject term index and title list.)

  13. Remediation of polycyclic aromatic hydrocarbons. (Latest citations from Pollution abstracts). Published Search

    SciTech Connect

    1997-12-01

    The bibliography contains citations concerning the removal of polycyclic aromatic hydrocarbons from contaminated soil or water. The chemical or biological processes that destroy these contaminants or reduce their toxicity are discussed. Techniques include treatments used in above-ground reactors or in situ detoxification of contaminated sites. The citations examine the relationship between the chemical structure of polycyclic aromatic hydrocarbons and rate of decomposition; selection of the most effective microorganisms for biological degradation; and factors which can accelerate or inhibit degradation.(Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)

  14. Determination of polycyclic aromatic hydrocarbons in dry tea

    PubMed Central

    ADISA, AFOLABI; JIMENEZ, ANGELICA; WOODHAM, CARA; ANTHONY, KEVIN; NGUYEN, THAO; SALEH, MAHMOUD A.

    2016-01-01

    Twenty-eight different tea samples sold in the United States were evaluated using high-performance liquid chromatography (HPLC) with fluorescence detection (FLD) for their contamination with polycyclic aromatic hydrocarbons (PAHs). Many PAHs exhibit carcinogenic, mutagenic, and teratogenic properties and have been related to several kinds of cancer in man and experimental animals. The presence of PAHs in environmental samples such as water, sediments, and particulate air has been extensively studied, but food samples have received little attention. Eighteen PAHs congeners were analyzed, with percentage recovery higher than 85%. Contamination expressed as the sum of the 18 analyzed PAHs was between 101 and 1337 μg/kg on dry mass and the average contents in all of the 28 examined samples was 300 μg/kg on dry mass. Seven of the congeners were found in all samples with wide ranges of concentrations as follows: fluorene (7–48 μg/kg), anthracene (1–31 μg/kg), pyrene (1–970 μg/kg), benzo(a)anthracene (1–18 μg/kg) chrysene (17–365 μg/kg), benzo(a)pyrene (1–29 μg/kg), and indeno(1,2,3-cd)pyrene (4–119 μg/kg). The two most toxic congeners benzo(a)pyrene and dibenzo(a,h)anthracene were found at high concentrations only in Earl Grey Twinnings, Earl Grey Harney& Sons Fine Teas, and Chai Ultra Spice Black Tea Twinnings. Six PAH congeners are considered as suspected carcinogens (U.S.EPA), formed the basis of the estimation of the toxic equivalent (TEQ), Chai Ultra-Spice Black Tea Twinnings had the highest TEQ (110.9) followed by two grey tea samples, Earl Grey Harney & Sons Fine Tea (57.7) and Earl Grey Twinnings (54.5). Decaffeinated grey teas had the lowest TEQs, decaffeinated Earl Grey Bigelow (9.4) and Green Tea Honey Lemon Decaffeinated Lipton (9.6). PMID:26065515

  15. Bioremediation of Mixtures of High Molecular Weight Polycyclic Aromatic Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Xu, H.; Wu, J.; Shi, X.; Sun, Y.

    2014-12-01

    Although bioremediation has been considered as one of the most promising means to remove polycyclic aromatic hydrocarbons (PAHs) from polluted environments, the efficacy of PAHs bioremediation still remains challenged, especially for high molecular weight PAHs (HMW PAHs) and their mixtures. This study was focused on (a) isolation and characterization of pure strain and mixed microbial communities able to degrade HMW PAHs and (b) further evaluation of the ability of the isolated microbes to degrade HMW PAHs mixtures in the absence and presence of indigenous flora. Fluoranthene, benzo[b]fluoranthene and pyrene were selected as the representative HMW PAHs in this study. A pure bacterial strain, identified as Herbaspirillum chlorophenolicum FA1, was isolated from activated sludge. A mixed bacterial community designated as consortium-4 was isolated from petroleum contaminated soils, containing Pseudomonas sp. FbP1、Enterobacter sp. FbP2、Hydrogenophaga sp. FbP3 and Luteolibacter pohnpeiensis. FbP4. To our knowledge, this is the first study to demonstrate that bacterial strains of Herbaspirillum chlorophenolicum FA1 and Luteolibacter pohnpeiensis. FbP4 can also degrade fluoranthene, benzo[b]fluoranthene and pyrene. Experiment results showed that both strain FA1 and consortium-4 could degrade fluoranthene, benzo[b]fluoranthene and pyrene within a wide range of temperature, pH and initial PAHs concentration. Degradation of HMW PAHs mixtures (binary and ternary) demonstrated the interactive effects that can alter the rate and extent of biodegradation within a mixture. The presence of indigenous flora was found to either increase or decrease the degradation of HMW PAHs, suggesting possible synergistic or competition effects. Biodegradation kinetics of HMW PAHs for sole substrates, binary and ternary systems was evaluated, with the purpose to better characterize and compare the biodegradation process of individual HMW PAH and mixtures of HMW PAHs. Results of this study

  16. An Emission Inventory of Polycyclic Aromatic Hydrocarbons in China

    NASA Astrophysics Data System (ADS)

    Mu, Xilong; Zhu, Xianlei; Wang, Xuesong

    2015-04-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are among the most dangerous compounds due to their high carcinogenic and mutagenic character. Emission inventory provides the primary data to account for the sources of ambient PAHs and server as a necessary database for effective PAHs pollution control. China is experiencing fast economic growth and large energy consumption, which might result in a large amount of PAHs anthropogenic emissions. Therefore, based on the previous studies and combined recently field emission measurements as well as socio-economic activity data, the development of a nationwide PAHs emission inventory is needed. In this work, the emission inventory of 16 PAHs listed as U.S. Environmental Protection Agency priority pollutants in China in the year 2012 is compiled. The emission amounts of PAHs were estimated as annual rates of emission-related activities multiplied by respective emission factors. The activities such as fuel consumption, including fossil fuel and biofuel, and socio-economic statistics were obtained from yearbook released by Chinese central government and/or provincial governments, as well as related industry reports. Emission factors were derived from the related literature. Recently reported emission factors from local measurements were used. The total emissions of PAHs were 120611 ton in 2012. In China, PAHs were emitted predominantly from domestic combustion of coal and biofuel, coking industry and motor vehicles, accounting for 72% of the total amount. PAHs emission profiles were significantly different between China and the other countries. The emission profile in China featured a relatively higher portion of high molecular weight species with carcinogenic potential due to large contributions of domestic combustion and coking industry. Domestic combustion of straw, coal and firewood emitted 19464 ton, 8831 ton, and 5062 ton of PAHs, respectively, which were much higher than those in other countries. Emission per capita showed

  17. Mitochondrial DNA Copy Number and Exposure to Polycyclic Aromatic Hydrocarbons

    PubMed Central

    Pavanello, Sofia; Dioni, Laura; Hoxha, Mirjam; Fedeli, Ugo; Mielzynska-Švach, Danuta; Baccarelli, Andrea A.

    2013-01-01

    Background Increased mitochondrial DNA copy number (mtDNAcn) is a biological response to mtDNA damage and dysfunction predictive of lung cancer risk. Polycyclic aromatic hydrocarbons (PAHs) are established lung carcinogens and may cause mitochondrial toxicity. Whether PAH exposure and PAH-related nuclear DNA (nDNA) genotoxic effects are linked with increased mtDNAcn has never been evaluated. Methods We investigated the effect of chronic exposure to PAHs on mtDNAcn in peripheral blood lymphocytes (PBLs) of 46 Polish male non-current smoking cokeoven workers and 44 matched controls, who were part of a group of 94 study individuals examined in our previous work. Subjects PAH exposure and genetic alterations were characterized through measures of internal dose (urinary 1-pyrenol), target dose [anti-benzo[a]pyrene diolepoxide (anti-BPDE)-DNA adduct], genetic instability (micronuclei, MN and telomere length [TL]) and DNA methylation [p53 promoter] in PBLs. mtDNAcn (MT/S) was measured using a validated real-time PCR method. Results Workers with PAH exposure above the median value (>3 µmol 1-pyrenol/mol creatinine) showed higher mtDNAcn [geometric means (GM) of 1.06 (unadjusted) and 1.07 (age-adjusted)] compared to controls [GM 0.89 (unadjusted); 0.89 (age-adjusted)] (p=0.029 and 0.016), as well as higher levels of genetic and chromosomal [i.e. anti-BPDE-DNA adducts (p<0.001), MN (p<0.001) and TL (p=0.053)] and epigenetic [i.e., p53 gene-specific promoter methylation (p<0.001)] alterations in the nDNA. In the whole study population, unadjusted and age-adjusted mtDNAcn was positively correlated with 1-pyrenol (p=0.043 and 0.032) and anti-BPDE-DNA adducts (p=0.046 and 0.049). Conclusions PAH exposure and PAH-related nDNA genotoxicity are associated with increased mtDNAcn. Impact The present study is suggestive of potential roles of mtDNAcn in PAH-induced carcinogenesis. PMID:23885040

  18. Radiation and chemical studies of carcinogens, polycyclic aromatic hydrocarbons

    SciTech Connect

    Chen, Chiachieh.

    1989-01-01

    Radiation and polycyclic aromatic hydrocarbons (PAH's) are environmental pollutants. 3MC effectively neutralized the lethality of C3H mouse 10T1/2 cells resulting from B(a)P or DMBA. PAH binding to macromolecules increased linearly with exposure, but DNA-adducts saturated with exposure. 3MC or {alpha}NF appreciably reduced the formation of DNA adducts due to B(a)P or DMBA. The reductions in DNA-adduct formation did not result from a reduction in the induction of AHH. By using DNA adducts as chemical dose, and plotting the DMBA survival curve as a function of DMBA-DNA adducts, the curve was an exponential curve. A similar application with B(a)P-DNA adduct showed the survival curve as a shoulder followed by an exponential region. When 10T1/2 cells were treated with X-radiation and a PAH, the nontoxic compounds and B(a)P did not show any significant effect on X-ray survival curve. However, the damage due to DMBA was found to be additive to X-ray damage. The latter property of DMBA was lost when cells were cotreated with 3MC and DMBA presumably because damage to DNA due to DMBA alone was suppressed. Thus, the combined action is complex. DMBA produced damage in 10T1/2 cells that added to radiation damage. Although a nontoxic PAH could neutralize the effect of a toxic PAH, the former were not able to mitigate the lethal effects of radiation. Operationally, the latter results suggested that a nontoxic PAH could cancel out the effect of a toxic one because it inhibited the formation of the DNA damage with which radiation damage could interact rather than because the nontoxic PAH removed the radiation damage with which the PAH could interact. It showed that at least 4 hours were required for DMBA to affect the sublethal radiation damage repair, a period long enough for a large fraction of the latter damage to have been lost.

  19. The Origins of Polycyclic Aromatic Hydrocarbons: Are They Everywhere?

    NASA Technical Reports Server (NTRS)

    Allamandola, L. J.; Morrison, David (Technical Monitor)

    1994-01-01

    During the past 15 years considerable progress in observational techniques has been achieved in the middle-infrared region (5000-500 per centimeter, 2-20 micron), the region where most diagnostic molecular vibrations occur. Spectra of many different astronomical infrared sources, some deeply embedded in dark molecular clouds and others at their edges, are now available. These spectra provide a powerful probe, not only for the identification of interstellar molecules in both the gas and solid phases, but also of the physical and chemical conditions which prevail in these two very different domains. The two lectures will focus on the evidence that polycyclic aromatic hydrocarbons (PAHs) are an important, ubiquitous and abundant interstellar species. PAHs are. extremely stable species which can range in size from a few angstroms across to several hundred angstroms (PAHs are also the building blocks of amorphous carbon particles). This identification rests on the suggestive agreement between the laboratory spectra of PAHs with a set of IR emission bands which emanate from many different sources where ultraviolet starlight impinges on a "dusty" region. The picture is that individual PAHs are first pumped into highly vibrationally excited states and relax by fluorescence at their fundamental vibrational frequencies. That PAHs are a ubiquitous interstellar component has serious ramifications in other spectral regions as well, including the strong extinction in the ultraviolet, and the classic visible diffuse interstellar bands discovered more than 50 years ago (but unexplained to this day) The first part of the course will focus on the interpretation of astronomical spectra. The second lecture will start by showing how recent laboratory data on PAHs taken under realistic interstellar conditions has con borated the PAH hypothesis and led to great insight into the conditions in the PAH containing regions. This lecture will end by reviewing the ever-increasing evidence for

  20. Ecotoxicity of a polycyclic aromatic hydrocarbon (PAH)-contaminated soil.

    PubMed

    Eom, I C; Rast, C; Veber, A M; Vasseur, P

    2007-06-01

    Soil samples from a former cokery site polluted with polycyclic aromatic hydrocarbons (PAHs) were assessed for their toxicity to terrestrial and aquatic organisms and for their mutagenicity. The total concentration of the 16 PAHs listed as priority pollutants by the US Environmental Protection Agency (US-EPA) was 2634+/-241 mg/kgdw in soil samples. The toxicity of water-extractable pollutants from the contaminated soil samples was evaluated using acute (Vibrio fischeri; Microtox test, Daphnia magna) and chronic (Pseudokirchneriella subcapitata, Ceriodaphnia dubia) bioassays and the EC values were expressed as percentage water extract in the test media (v/v). Algal growth (EC50-3d=2.4+/-0.2% of the water extracts) and reproduction of C. dubia (EC50-7d=4.3+/-0.6%) were the most severely affected, compared to bacterial luminescence (EC50-30 min=12+/-3%) and daphnid viability (EC50-48 h=30+/-3%). The Ames and Mutatox tests indicated mutagenicity of water extracts, while no response was found with the umu test. The toxicity of the soil samples was assessed on the survival and reproduction of earthworms (Eisenia fetida) and collembolae (Folsomia candida), and on the germination and growth of higher plants (Lactuca sativa L.: lettuce and Brassica chinensis J.: Chinese cabbage). The EC50 values were expressed as percentage contaminated soil in ISO soil test medium (weight per weight-w/w) and indicated severe effects on reproduction of the collembola F. candida (EC50-28 d=5.7%) and the earthworm E. fetida (EC50-28 d=18% and EC50-56 d=8%, based on cocoon and juvenile production, respectively). Survival of collembolae was already affected at a low concentration of the contaminated soil (EC50-28 d=11%). The viability of juvenile earthworms was inhibited at much lower concentrations of the cokery soil (EC50-14 d=28%) than the viability of adults (EC50-14 d=74%). Only plant growth was inhibited (EC50-17d=26%) while germination was not. Chemical analyses of water extracts allowed

  1. The environmental fate of polycyclic aromatic hydrocarbons associated with particles

    NASA Astrophysics Data System (ADS)

    Kim, Daekyun

    This study focused on the transport and distribution in the environment, the phototransformation, and the source identification of particle-associated polycyclic aromatic hydrocarbons (PAHs). To investigate the main inputs and sources of PAHs, particulate, dissolved, and colloid-bound PAHs in stream and precipitation samples collected along an urban tributary were monitored between October 2004 and March 2005. Particulate matter carried by stormwater runoff was the major source of PAHs in surface water in the early rainy season. Indirect deposition of PAHs into surface water is likely a more significant input pathway for total PAHs than direct dry or wet deposition during the wet season. Selected PAH ratios indicate that observed PAHs in rainwater came from pyrogenic sources and those in surface water had more complicated and variable origins. To examine possible changes in the PAH profiles caused by environmental aging, soot particles were exposed to simulated sunlight and disappearance rates of PAHs were determined. An obvious two-phase disappearance was observed for naphthalene, acenaphthylene, acenaphthene, and fluorene, while phenanthrene and anthracene exhibited this behavior for all but the highest soot loading. The first phase loss occurred within 3-10 hours is 5-40 times faster than the second phase loss. Only single mode of disappearance, however, was observed for the higher molecular weight PAHs with 4-6 rings. Sources of PAHs from surface waters and sediments should be determined by considering the potential influence of aging on any diagnostic method. Due to differences in disappearance rates of individual PAHs, prolonged exposure to sunlight could change the interpretation of characteristic PAH ratios. The apparent disappearance rates of PAHs on soot are governed by photodegradation and diffusion kinetics. The effective diffusion coefficients, the photodegradation rate constants, and the light penetration depth for fluorene, phenanthrene, and

  2. New biomarkers of occupational exposure to polycyclic aromatic hydrocarbons.

    PubMed

    Seidel, Albrecht; Spickenheuer, Anne; Straif, Kurt; Rihs, Hans-Peter; Marczynski, Boleslaw; Scherenberg, Michael; Dettbarn, Gerhard; Angerer, Jürgen; Wilhelm, Michael; Brüning, Thomas; Jacob, Jürgen; Pesch, Beate

    2008-01-01

    Polycyclic aromatic hydrocarbons (PAH) are metabolized in a complex manner. Although biological activity is associated with diol-epoxide formation, phenolic metabolites have predominantly been used in human biomonitoring. In this study monohydroxylated and new metabolites were characterized as biomarkers for occupational PAH exposure. In 97 male workers, personal exposure to 16 airborne PAH compounds was measured during shift. In postshift urine, 1-hydroxypyrene and 1,6- and 1,8-dihydroxypyrene (1-OHP, DiOHP) were determined as metabolites of pyrene (P), and the sum of 1-, 2-, 3-, 4-, and 9-hydroxyphenanthrenes (OHPHE), and PHE-dihydrodiols (PHED) as metabolites of phenanthrene (PHE). The referent group comprised 21 nonsmoking construction workers. Median (interquartile range) shift concentrations of airborne P and PHE were 1.46 (0.62-4.05 microg/m(3)) and 10.9 (3.69-23.77 microg/m(3)), respectively. The corresponding parameters were 3.86 (2.08-7.44) microg/g creatinine (crn) for 1-OHP, 0.66 (0.17-1.65) microg/g crn for DiOHP, 11.44 (5.21-34.76) microg/g crn for OHPHE, and 12.28 (3.3-97.76) microg/g crn for PHED in PAH-exposed workers. The median levels of 1-OHP and OHPHE were 0.09 (0.08-0.17 microg/m(3)) and 0.59 (0.45-1.39 microg/m(3)), respectively, in the referents. PHE correlated significantly with OHPHE and PHED, and P with 1-OHP but not with DiOHP. Under a doubling of PHE, OHPHE increased by a factor of 1.56 and PHED by 1.57. With a doubling of P, 1-OHP rose by 1.31 and DiOHP by 1.27. P is predominantly metabolized into 1-OHP, whereas PHE is metabolized equally into OHPHE and PHED. Thus metabolites of PHE were found as reliable biomarkers for PAH exposure.

  3. The Origins of Polycyclic Aromatic Hydrocarbons: Are They Everywhere?

    NASA Technical Reports Server (NTRS)

    Allamandola, L. J.; Morrison, David (Technical Monitor)

    1994-01-01

    During the past 15 years considerable progress in observational techniques has been achieved in the middle-infrared region (5000-500 per centimeter, 2-20 micron), the region where most diagnostic molecular vibrations occur. Spectra of many different astronomical infrared sources, some deeply embedded in dark molecular clouds and others at their edges, are now available. These spectra provide a powerful probe, not only for the identification of interstellar molecules in both the gas and solid phases, but also of the physical and chemical conditions which prevail in these two very different domains. The two lectures will focus on the evidence that polycyclic aromatic hydrocarbons (PAHs) are an important, ubiquitous and abundant interstellar species. PAHs are. extremely stable species which can range in size from a few angstroms across to several hundred angstroms (PAHs are also the building blocks of amorphous carbon particles). This identification rests on the suggestive agreement between the laboratory spectra of PAHs with a set of IR emission bands which emanate from many different sources where ultraviolet starlight impinges on a "dusty" region. The picture is that individual PAHs are first pumped into highly vibrationally excited states and relax by fluorescence at their fundamental vibrational frequencies. That PAHs are a ubiquitous interstellar component has serious ramifications in other spectral regions as well, including the strong extinction in the ultraviolet, and the classic visible diffuse interstellar bands discovered more than 50 years ago (but unexplained to this day) The first part of the course will focus on the interpretation of astronomical spectra. The second lecture will start by showing how recent laboratory data on PAHs taken under realistic interstellar conditions has con borated the PAH hypothesis and led to great insight into the conditions in the PAH containing regions. This lecture will end by reviewing the ever-increasing evidence for

  4. Sorption of polycyclic aromatic hydrocarbons by aquia aquifer materials

    SciTech Connect

    Ostazeski, S.A.

    1992-01-01

    The sorption of three polycyclic aromatic hydrocarbons (PAHs) by Aquia Aquifer materials was investigated. Laboratory studies were conducted to generate equilibrium isotherm data using batch shake techniques. Six aquifer materials, with f[sub oc] values ranging from 0.0002 to 0.0089 were used. The influence of the solution phase conditions of pH, ionic strength, and cosolvent on sorption was investigated. Sorption isotherms could be described by the linear form of the Freundlich relationship. The sorption partition coefficients (K[sub d]) for sorption from aqueous solution were greater than predicted by an f[sub oc] basis alone. The K[sub d]s obtained for pyrene and phenanthrene were significantly related to f[sub oc] SA[sup [minus]1] (SA = specific surface area). This was not the case K[sub d] values obtained for naphthalene sorption. The solution phase conditions of pH and ionic strength were found to have a significant effect on the sorption of PAHs by aquifer materials. The effect of solution phase pH on the sorption of individual PAHs by aquifer materials was seen to be a concave up curve with a minimum about a pH of 7. The data obtained from ionic strength experiments indicated maximum sorption occurs at NaCl molar concentration of zero. The data is not well represented by a modified Setchenow relationship, but suggest that the sorptive capacity of the aquifer material may be modified by changes in the sorbent organic carbon. The isotherms generated for sorption of PAHs from methanol/water solution were found to be linear. The (K[sub d]) values were consistent with predictions made on the basis of sorbent f[sub oc] at low volume fractions of methanol. For all solutes and sorbents studied deviations from the predicted occurred as the volume fraction of methanol increased. These results suggest conformational changes in the sorbent f[sub oc] occur with varying solution phase conditions.

  5. Fate of polycyclic aromatic hydrocarbons during composting of oily sludge.

    PubMed

    Kriipsalu, M; Marques, M; Hogland, W; Nammari, D R

    2008-01-01

    In order to assess the effectiveness of aerobic degradation with emphasis on the 16 U.S. EPA priority polycyclic aromatic hydrocarbons (PAH), oily sludge generated by a dissolved air flotation flocculation unit of a wastewater treatment plant in a petroleum refinery was amended with remediated oil-contaminated soil and non-mature garden waste compost 40:40:20 (wet weight) respectively. About 21 t of the mixture with a top-layer formed by 30 cm of remediated soil was treated in a 28 m3 air-forced reactor. The PAH concentration was monitored for 370 days. In the top-layer, a reduction of 88 % of the total extractable PAH was measured at day 62 and a final reduction of 93% at day 370. In the mixture, a reduction of 72% in total PAH was measured at day 62, followed by fluctuation in concentration with a final measured reduction of 53% at day 370. The analysis of individual PAH in the mixture suggested that volatilization and biodegradation are the main mechanisms responsible for the reduction of 2 ring PAH and 3-4 ring PAH, respectively. Fluctuation of 5-6 ring PAH concentrations with increase observed at the end of the period might result from a combination of the following: (i) sequestration of large PAH in the organic matrix (reducing bioavailability, biodegradability and eventually, extractability) and desorption as composting progresses; (ii) heterogeneous distribution of the stable large PAH in the mixture, thus affecting sampling. It was concluded that one-time composting in static-aerated biopiles with organic amendments as the sole strategy to treat oily sludge is very effective in reducing the content of 2-4 ring PAH, but it is not effective in reducing the content of 5-6 ring PAHs, even after a relatively long time span (370 d). The concentrations measured in the remediated soil that formed the top layer after 62 days of composting suggests that further relevant reduction of residual PAH (89% of total PAH and 69% of 5-6 ring PAH) can be obtained if the

  6. Polycyclic aromatic hydrocarbons in US and Swedish smokeless tobacco products

    PubMed Central

    2013-01-01

    Background Debate about the health implications of using smokeless tobacco products (STPs) has prompted considerable interest in characterising their levels of toxic and carcinogenic components. In the present study seventy smokeless tobacco products from the US and Sweden, categorized as chewing tobacco, dry and moist snuff, hard and soft pellets, plug, and loose and portion snus, were analysed for twenty one polycyclic aromatic hydrocarbons (PAHs). The tested brands represented 80-90% of the 2008 market share for the major STP categories in these two countries. Results There were significant differences in the total and individual PAH concentrations in the different styles of product. Substantially higher levels of total PAHs (10–60 fold) were found in moist and dry snuff and soft pellets than in the other smokeless tobacco styles. The individual PAH concentrations followed the same patterns as total PAHs except for naphthalene, for which the highest concentrations were found in snus and moist snuff. Good correlations were obtained between benzo[a]pyrene (B[a]P) and all the other PAHs except naphthalene, 1-methylnaphthalene and 2-methylnaphthalene, providing evidence for the first time that it can be used as a good marker for PAHs in STPs. Results were generally in good agreement with two previous studies of PAHs in STPs, except for naphthalene for which significantly lower concentrations were found than previously reported. Analysis of the ratios of different PAHs confirmed that the use of fire-cured tobaccos in the snuffs and soft pellet were the major source of PAHs in these product styles, and provided, for the first time, some indications as to the source of PAHs in the other STP styles, including petrogenic and other combustion sources. Conclusions This study confirms the presence of PAHs in STPs, and identifies substantial differences between the levels in different STP categories. Since previous studies of naphthalene concentrations in STPs differed so

  7. Environmental Behaviors and Toxicities of Polycyclic Aromatic Hydrocarbons and Nitropolycyclic Aromatic Hydrocarbons.

    PubMed

    Hayakawa, Kazuichi

    2016-01-01

    Airborne particulate matter (PM) has been collected at four cities in Japan starting in the late 1990s, at five or more major cities in China, Korea and Russia starting in 2001 and at the Noto Peninsula starting in 2004. Nine polycyclic aromatic hydrocarbons (PAHs) and eleven nitropolycyclic aromatic hydrocarbons (NPAHs) were determined by HPLC with fluorescence and chemiluminescence detections, respectively. Annual concentrations of PAHs and NPAHs were in the order, China>Russia≫Korea=Japan, with seasonal change (winter>summer). During the observation period, concentrations of PAHs and NPAHs in Japanese cities significantly decreased but the increases in the PAH concentration were observed in Chinese and Russian cities. Concentrations of PAHs and NPAHs were higher in the Northern China than those in the Southern China. At the Noto peninsula, which is in the main path of winter northwest winds and a year-round jet stream that blow from the Asian continent to Japan, the concentrations were high in winter and low in summer every year. A cluster analysis and back trajectory analysis indicated that PAHs and NPAHs were long-range transported from Northeastern China, where coal burning systems such as coal-heating boilers are considered to be the major contributors of PAHs and NPAHs. A dramatic change in atmospheric concentrations of PAHs and NPAHs in East Asia suggests the rapid and large change of PM2.5 pollution in East Asia. Considering the adverse health effects of PM2.5, continuous monitoring of atmospheric PAHs and NPAHs is necessary in this area.

  8. Recent analytical methods for atmospheric polycyclic aromatic hydrocarbons and their derivatives.

    PubMed

    Hayakawa, Kazuichi; Tang, Ning; Toriba, Akira

    2017-01-01

    Polycyclic aromatic hydrocarbons (PAHs) and nitropolycyclic aromatic hydrocarbons (NPAHs) are ubiquitous environmental pollutants. Moreover, some oxidative metabolites of these pollutants, such as hydroxylated and epoxide PAHs, cause endocrine disruption or produce reactive oxygen species. These compounds have become a large concern from the viewpoint of particulate matter (PM2.5 ) pollution. This report deals with recent studies concerning analytical methods for PAHs, NPAHs and related compounds in atmospheric and biological samples.

  9. Polycyclic aromatic hydrocarbons in Australian coals. III. Structural elucidation by proton nuclear magnetic resonance spectroscopy

    SciTech Connect

    Chaffee, A.L.; Fookes, C.J.R.

    1988-01-01

    The molecular structures of a number of tetra- and pentacyclic aromatic hydrocarbons present in extracts of Victorian brown coal have been unambiguously established by /sup 1/H-NMR. The determined structures support the hypothesis that these polycyclic aromatic hydrocarbons (PAHs) are diagenetically derived from triterpenoid precursors based on the oleanane, ursane and lupane skeletons. The occurrence of diastereoisomerism in these PAHs has been revealed for the first time and the diastereomeric configurations of one pair of triaromatic compounds (XI and XII) defined.

  10. Distribution of polycyclic aromatic hydrocarbons in soil-water system containing a nonionic surfactant.

    PubMed

    Zhou, Wenjun; Zhu, Lizhong

    2005-09-01

    The effect of a nonionic surfactant, Triton X-100 (TX100), on the distribution of four representative polycyclic aromatic hydrocarbons (PAHs), phenanthrene, fluorene, acenaphthene and naphthalene, in soil-water system was studied on a natural soil. The apparent soil-water distribution coefficient with surfactant (Kd*) for these compounds increased when TX100 equilibrium concentration from zero to around the critical micelle concentration (CMC), followed by a decrease in Kd* at TX100 equilibrium concentration greater than CMC. This is a direct result of surfactant sorption onto soil followed by PAHs partitioning to the sorbed surfactant. The values of carbon-normalized solute distribution coefficient (Kss) with the sorbed TX100 are greater than the corresponding partition coefficients with soil organic matter (Koc), which indicates the soil-sorbed nonionic surfactant is more effective per unit mass as a partitioning medium than the native soil organic matter for PAHs. When Kd* = Kd the corresponding initial concentration of surfactant was defined as critical washing concentration (CWC). Depending on the surfactant initial concentration below or above the CWC, the addition of nonionic surfactant can enhance the retardation of soil for PAHs or promote the removal of PAHs from soil, respectively. The values of Kd* and CWC can be predicted by a model, which correlates them with the compounds' octanol-water partition coefficients (Kow), soil property and the amount of soil-sorbed surfactant.

  11. The lack of microbial degradation of polycyclic aromatic hydrocarbons from coal-rich soils.

    PubMed

    Achten, Christine; Cheng, Shubo; Straub, Kristina L; Hofmann, Thilo

    2011-02-01

    Analytical techniques used to assess the environmental risk of contamination from polycyclic aromatic hydrocarbons (PAHs) typically consider only abiotic sample parameters. Supercritical fluid extraction and sorption enthalpy experiments previously suggested slow desorption rates for PAH compounds in two coal-contaminated floodplain soils. In this study, the actual PAH availability for aerobic soil microorganisms was tested in two series of soil-slurry experiments. The experimental conditions supported microbial degradation of phenanthrene if it was weakly sorbed onto silica gel. Native coals and coal-derived particles in two soils effectively acted as very strong sorbents and prevented microbial PAH degradation. The long history of PAH exposure and degree of coal contamination apparently had no influence on the capability of the microbial soil community to overcome constraints of PAH availability. Within the context of the experimental conditions and the compounds chosen, our results confirm that coal-bound PAHs are not bioavailable and hence of low environmental concern. Copyright © 2010 Elsevier Ltd. All rights reserved.

  12. Effect of Polycyclic Aromatic Hydrocarbon Source Materials and Soil Components on Partitioning and Dermal Uptake.

    PubMed

    Xia, Huan; Gomez-Eyles, Jose L; Ghosh, Upal

    2016-04-05

    The bioavailability of polycyclic aromatic hydrocarbons (PAHs) in soils can be influenced by the source material they are emitted within, the properties of the receiving soil, weathering processes, and the concentration of PAHs. In this study 30 contaminated soils were constructed with common PAH sources (fuel oil, soot, coal tar based skeet particles) and direct spike with a solvent added to different types and contents of soil organic matter and minerals to achieve PAH concentrations spanning 4 orders of magnitude. Source material had the greatest impact on PAH partitioning. Soils containing skeet generally exhibited the highest KD values, followed by soot, fuel oil, and solvent spiked soils. Among all soil compositions, the presence of 2% charcoal had the largest enhancement of KD. Partitioning behavior could not be predicted by an organic carbon and black carbon partitioning model. Including independently measured partitioning behavior of the soil components and PAH sources allowed better prediction but still suffered from issues of interaction (oil sorption in peat) and highly nonlinear partitioning with depletion (for skeet). Dermal absorption of PAHs measured using pig skin was directly related to the freely dissolved aqueous concentration in soil and not the total concentration in the soil. Overall, we show that PAH source materials have a dominating influence on partitioning, highlighting the importance of using native field soils in bioavailability and risk assessments.

  13. Heavy metal-immobilizing organoclay facilitates polycyclic aromatic hydrocarbon biodegradation in mixed-contaminated soil.

    PubMed

    Biswas, Bhabananda; Sarkar, Binoy; Mandal, Asit; Naidu, Ravi

    2015-11-15

    Soils contaminated with a mixture of heavy metals and polycyclic aromatic hydrocarbons (PAHs) pose toxic metal stress to native PAH-degrading microorganisms. Adsorbents such as clay and modified clay minerals can bind the metal and reduce its toxicity to microorganisms. However, in a mixed-contaminated soil, an adsorption process more specific to the metals without affecting the bioavailability of PAHs is desired for effective degradation. Furthermore, the adsorbent should enhance the viability of PAH-degrading microorganisms. A metal-immobilizing organoclay (Arquad(®) 2HT-75-bentonite treated with palmitic acid) (MIOC) able to reduce metal (cadmium (Cd)) toxicity and enhance PAH (phenanthrene) biodegradation was developed and characterized in this study. The MIOC differed considerably from the parent clay in terms of its ability to reduce metal toxicity (MIOC>unmodified bentonite>Arquad-bentonite). The MIOC variably increased the microbial count (10-43%) as well as activities (respiration 3-44%; enzymatic activities up to 68%), and simultaneously maintained phenanthrene in bioavailable form in a Cd-phenanthrene mixed-contaminated soil over a 21-day incubation period. This study may lead to a new MIOC-assisted bioremediation technique for PAHs in mixed-contaminated soils.

  14. Extraction of sediment-associated polycyclic aromatic hydrocarbons with granular activated carbon.

    PubMed

    Rakowska, M I; Kupryianchyk, D; Grotenhuis, T; Rijnaarts, H H M; Koelmans, A A

    2013-02-01

    Addition of activated carbon (AC) to sediments has been proposed as a method to reduce ecotoxicological risks of sediment-bound contaminants. The present study explores the effectiveness of granular AC (GAC) in extracting polycyclic aromatic hydrocarbon (PAH) from highly contaminated sediments. Four candidate GAC materials were screened in terms of PAH extraction efficiency using single-step 24-h GAC extractions, with traditional 24-h Tenax extraction as a reference. Subsequently, sorption of native PAHs to the best performing GAC 1240W (0.45-1.70 mm) was studied for sediment only and for GAC-sediment mixtures at different GAC-sediment weight ratios, using 76-µm polyoxymethylene (POM) passive samplers. Granular AC sorption parameters for PAHs were determined by subtracting the contribution of PAH sorption to sediment from PAH sorption to the GAC-sediment mixture. It appears that the binding of PAHs and the effectiveness of GAC to reduce sediment porewater concentrations were highly dependent on the GAC-sediment mixing ratio and hydrophobicity of the PAH. Despite the considerable fouling of GAC by organic matter and oil, 50 to 90% of the most available PAH was extracted by the GAC during a 28-d contact time, at a dose as low as 4%, which also is a feasible dose in field-scale applications aimed at cleaning the sediment by GAC addition and removal.

  15. Characterization of polycyclic aromatic compounds in diesel exhaust particulate extract responsible for aryl hydrocarbon receptor activity

    NASA Astrophysics Data System (ADS)

    Soontjens, Carol D.; Holmberg, Kristina; Westerholm, Roger N.; Rafter, Joseph J.

    Chemical fractions of a model diesel exhaust particulate extract, notably the fraction containing polycyclic aromatic hydrocarbons (PAH) (Fraction II), mono-nitro PAH (Fraction III), and dinitro-PAH (Fraction IV) have been shown to displace binding of 2,3,7,8-tetrachloro[1,6-[ 3H

  16. Removal of crude oil polycyclic aromatic hydrocarbons via organoclay-microbe-oil interactions.

    PubMed

    Ugochukwu, Uzochukwu C; Fialips, Claire I

    2017-05-01

    Clay minerals are quite vital in biogeochemical processes but the effect of organo-clays in the microbial degradation of crude oil polycyclic aromatic hydrocarbons is not well understood. The role of organo-saponite and organo-montmorillonite in comparison with the unmodified clays in crude oil polycyclic aromatic hydrocarbons (PAHs) removal via adsorption and biodegradation was studied by carrying out microcosm experiments in aqueous clay/oil systems with a hydrocarbon degrading microbial community that is predominantly alcanivorax spp. Montmorillonite and saponite samples were treated with didecyldimethylammonium bromide to produce organo-montmorillonite and organo-saponite used in this study. Obtained results indicate that clays with high cation exchange capacity (CEC) such as montmorillonite produced organo-clay (organomontmorillonite) that was not stimulatory to biodegradation of crude oil polycyclic aromatic compounds, especially the low molecular weight (LMW) ones, such as dimethylnaphthalenes. It is suggested that interaction between the organic phase of the organo-clay and the crude oil PAHs which is hydrophobic in nature must have reduced the availability of the polycyclic aromatic hydrocarbons for biodegradation. Organo-saponite did not enhance the microbial degradation of dimethylnaphthalenes but enhanced the biodegradation of some other PAHs such as phenanthrene. The unmodified montmorillonite enhanced the microbial degradation of the PAHs and is most likely to have done so as a result of its high surface area that allows the accumulation of microbes and nutrients enhancing their contact. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. EFFECT OF IRRADIANCE SPECTRA ON THE PHOTOINDUCED TOXICITY OF THREE POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    Photoinduced toxicity of polycyclic aromatic hydrocarbons (PAHs) is dependent on the concentration of compounds present and the dose of light received. Of the light present, only those wavelengths absorbed by the compound have the potential to initiate the photochemical events un...

  18. Polycyclic aromatic hydrocarbon hazards to fish, wildlife, and invertebrates: a synoptic review

    SciTech Connect

    Eisler, R.

    1987-05-01

    The report synthesizes technical literature on ecological and toxicological aspects of polycyclic aromatic hydrocarbons (PAH) in the environment, with special reference to fisheries and wildlife resources. Subtopics include: chemical properties, sources, and fate; background concentrations in biological and nonbiological samples; toxic and sublethal effects of PAH to flora and fauna; proposed criteria and research needs for the protection of sensitive, nonhuman organisms.

  19. Role of sooty mold fungi in degradation of polycycllic aromatic hydrocarbons (PAHS) in soil

    Treesearch

    Venera A. Jouraeva; David L. Johnson; John P. Hassett; David J. Nowak; Natalia A. Shipunova; Dana Barbarossa

    2006-01-01

    The focus of this research was on elucidation of the role of deciduous tree ecosystems in accumulation of fine-particle-associated polycyclic aromatic hydrocarbons (PAHs) and heavy metals on leaves of deciduous trees. The studied species were Tilia x euchlora (frequently infested by sooty mold fungi) and Pyrus calleryana (...

  20. SOLAR RADIATION DOSE AND PHOTOTOXICITY OF POLYCYCLIC AROMATIC HYDROCARBONS: A CASE STUDY

    EPA Science Inventory

    The toxicity of polycyclic aromatic hydrocarbons increases by as much as three orders of magnitude in the presence of solar radiation. The risk of this photoactive toxicity is thus based on both tissue concentrations of potentially photo activated compounds and the levels of subs...

  1. COMPARATIVE STUDIES OF THE EFFECT OF POLYCYCLIC AROMATIC HYDROCARBON GEOMETRY ON THE HYDROLYSIS OF DIOL EPOXIDES

    EPA Science Inventory

    Comparative studies of the effect of polycyclic aromatic hydrocarbon geometry on the hydrolysis of diol epoxides

    The interaction of the diol epoxides (DEs) of both planar and non-planar PAHs with water have been examined using quantum mechanical and molecular dynamics. Th...

  2. THE PHOTOTOXOICITY OF POLYCYCLIC AROMATIC HYDROCARBONS: A THEORETICAL STUDY OF EXCITED STATES AND CORRELATION TO EXPERIMENT

    EPA Science Inventory



    Investigators using models to determine the phototoxic effects of sunlight on polycyclic aromatic hydrocarbons (PAHS) have invoked the excited states of the molecule as important in elucidating the mechanism of these reactions. Energies of actual excited states were calcu...

  3. Sources and deposition of polycyclic aromatic hydrocarbons to western US national parks

    EPA Science Inventory

    Seasonal snowpack, lichens, and lake sediment cores were collected from fourteen lake catchments in eight western U.S. National Parks and analyzed for sixteen polycyclic aromatic hydrocarbons (PAHs) to determine their current and historical deposition, as well as to identify thei...

  4. PERSONAL EXPOSURES TO POLYCYCLIC AROMATIC HYDROCARBONS ASSOCIATED WITH THE NHEXAS PILOT

    EPA Science Inventory

    Personal exposure monitoring for select polycyclic aromatic hydrocarbons (PAHs) was performed as part of the National Human Exposure Assessment Survey (NHEXAS) Pilot Study in Baltimore, MD. Twenty-four hour PM10 sample collections (~5.7 m3) were performed using personal envi...

  5. Toxicity of polycyclic aromatic hydrocarbons. (Latest citations from Pollution abstracts). Published Search

    SciTech Connect

    1995-07-01

    The bibliography contains citations concerning the toxicity and biochemical effects of aromatic polycyclic hydrocarbons. Citations discuss air, water, soil, and sediment pollution and control. Topics include vehicle emissions and control, pollutant pathways, carcinogens and mutagenic activity, and photoinduced toxicity. Food contamination, environmental monitoring, and soil contamination along highways are examined. (Contains 50-250 citations and includes a subject term index and title list.)

  6. Coal-tar-based pavement sealcoat, polycyclic aromatic Hydrocarbons (PAHs), and environmental health

    USGS Publications Warehouse

    Mahler, B.J.; Van Metre, P.C.

    2011-01-01

    Studies by the U.S. Geological Survey (USGS) have identified coal-tar-based sealcoat-the black, viscous liquid sprayed or painted on asphalt pavement such as parking lots-as a major source of polycyclic aromatic hydrocarbon (PAH) contamination in urban areas for large parts of the Nation. Several PAHs are suspected human carcinogens and are toxic to aquatic life.

  7. PERSONAL EXPOSURE TO FINE PARTICLE POLYCYCLIC AROMATIC HYDROCARBONS: OUTDOOR SOURCE TRACERS

    EPA Science Inventory


    The most carcinogenic and toxic polycyclic aromatic hydrocarbons (PAH) are the 4-5 ring PAH found preferentially adsorbed to the fine particles (<2.54u in urban ambient air and personal air. Personal exposure to the carcinogenic particle bound PAH is also highly correlated ...

  8. Fluorescence, Absorption, and Excitation Spectra of Polycyclic Aromatic Hydrocarbons as a Tool for Quantitative Analysis

    ERIC Educational Resources Information Center

    Rivera-Figueroa, A. M.; Ramazan, K. A.; Finlayson-Pitts, B. J.

    2004-01-01

    A quantitative and qualitative study of the interplay between absorption, fluorescence, and excitation spectra of pollutants called polycyclic aromatic hydrocarbons (PAHs) is conducted. The study of five PAH displays the correlation of the above-mentioned properties along with the associated molecular changes.

  9. Moss as bio-indicators of human exposure to polycyclic aromatic hydrocarbons in Portland, OR

    Treesearch

    Geoffrey H. Donovan; Sarah E. Jovan; Demetrios Gatziolis; Vicente J. Monleon

    2015-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are a class of air pollutants linked to a wide range of adverse health outcomes, including asthma, cancers, cardiovascular disease, and fetal growth impairment. PAHs are emitted by combustion of organic matter (e.g. fossil fuels, plant biomass) and can accumulate in plant and animal tissues over time. Compared to criteria...

  10. New SERS Substrates For Polycyclic Aromatic Hydrocarbon (PAH) Detection: Towards Quantitative SERS Sensors For Environmental Analysis

    SciTech Connect

    Peron, O.; Rinnert, E.; Compere, C.; Toury, T.; Lamy de la Chapelle, M.

    2010-08-06

    In the investigation of chemical pollutions, such as PAHs (Polycyclic Aromatic Hydrocarbons) at low concentration in aqueous medium, surface-enhanced Raman scattering (SERS) stands for an alternative to the inherent low cross-section of normal Raman scattering. Indeed, SERS is a very sensitive spectroscopic technique due to the excitation of the surface plasmon modes of the nanostructured metallic film.

  11. PERSONAL EXPOSURES TO POLYCYCLIC AROMATIC HYDROCARBONS ASSOCIATED WITH THE NHEXAS PILOT

    EPA Science Inventory

    Personal exposure monitoring for select polycyclic aromatic hydrocarbons (PAHs) was performed as part of the National Human Exposure Assessment Survey (NHEXAS) Pilot Study in Baltimore, MD. Twenty-four hour PM10 sample collections (~5.7 m3) were performed using personal envi...

  12. "Super-Reducing" Photocatalysis: Consecutive Energy and Electron Transfers with Polycyclic Aromatic Hydrocarbons.

    PubMed

    Brasholz, Malte

    2017-08-21

    Donation welcome: Recent developments in visible-light photocatalysis allow the utilization of increasingly negative reduction potentials. Successive energy and electron transfer with polycyclic aromatic hydrocarbons enables the catalytic formation of strongly reducing arene radical anions, classical stoichiometric reagents for one-electron reduction in organic synthesis. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. POLYCYCLIC AROMATIC HYDROCARBON FORMATION IN OPPOSED FLOW DIFFUSION FLAMES OF ETHANE. (R825412)

    EPA Science Inventory

    Abstract

    The effect of fuel-side carbon density on the levels of polycyclic aromatic hydrocarbon (PAH) formation in atmospheric pressure, opposed flow, ethane diffusion flames has been studied using heated micro-probe sampling and gas chromatography/mass spectrometry (...

  14. Determination of polycyclic aromatic hydrocarbons in biochar and biochar amended soil

    USDA-ARS?s Scientific Manuscript database

    A method for the determination of the 16 USEPA polycyclic aromatic hydrocarbons (PAHs) in biochar and soil amended with biochar was developed. Samples were Soxhlet extracted with acetone:cyclohexane 1:1, and PAHs were analysed by GC-MS after silica gel clean-up. In a comparative study based on reflu...

  15. THE EFFECT OF IRRADIANCE SPECTRA ON THE PHOTOACTIVATED TOXICITY OF THREE POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    Photoinduced toxicity of polycyclic aromatic hydrocarbons (PAHs) is dependent on the concentration of compounds present and the dose of light recieved. Of the light present, only those wavelengths absorbed by the compound have the potential to initiate the photochemical events un...

  16. Toxicity of aromatic polycyclic hydrocarbons. (Latest citations from the Life Sciences Collection database). Published Search

    SciTech Connect

    Not Available

    1994-11-01

    The bibliography contains citations concerning the toxicity and biochemical effects of aromatic polycyclic hydrocarbons. Topics include effects on metabolism and liver activity, cellular responses, binding characteristics, and the occurrence and path of the compounds in food chains. Bioaccumulation studies in specific areas, and isolation and detection techniques are also considered. (Contains 250 citations and includes a subject term index and title list.)

  17. Toxicity of aromatic polycyclic hydrocarbons. (Latest citations from the Life Sciences Collection database). Published Search

    SciTech Connect

    Not Available

    1993-11-01

    The bibliography contains citations concerning the toxicity and biochemical effects of aromatic polycyclic hydrocarbons. Topics include effects on metabolism and liver activity, cellular responses, binding characteristics, and the occurrence and path of the compounds in food chains. Bioaccumulation studies in specific areas, and isolation and detection techniques are also considered. (Contains 250 citations and includes a subject term index and title list.)

  18. COMPARATIVE STUDIES OF THE EFFECT OF POLYCYCLIC AROMATIC HYDROCARBON GEOMETRY ON THE HYDROLYSIS OF DIOL EPOXIDES

    EPA Science Inventory

    Comparative studies of the effect of polycyclic aromatic hydrocarbon geometry on the hydrolysis of diol epoxides

    The interaction of the diol epoxides (DEs) of both planar and non-planar PAHs with water have been examined using quantum mechanical and molecular dynamics. Th...

  19. Polycyclic aromatic hydrocarbon migration from creosote-treated railway ties into ballast and adjacent wetlands

    Treesearch

    Kenneth M. Brooks

    2004-01-01

    Occasionally, creosote-treated railroad ties need to be replaced, sometimes in sensitive environments such as wetlands. To help determine if this is detrimental to the surrounding environment, more information is needed on the extent and pattern of creosote, or more specifically polycyclic aromatic hydrocarbon (PAH), migration from railroad ties and what effects this...

  20. THE PHOTOTOXOICITY OF POLYCYCLIC AROMATIC HYDROCARBONS: A THEORETICAL STUDY OF EXCITED STATES AND CORRELATION TO EXPERIMENT

    EPA Science Inventory



    Investigators using models to determine the phototoxic effects of sunlight on polycyclic aromatic hydrocarbons (PAHS) have invoked the excited states of the molecule as important in elucidating the mechanism of these reactions. Energies of actual excited states were calcu...

  1. Fluorescence, Absorption, and Excitation Spectra of Polycyclic Aromatic Hydrocarbons as a Tool for Quantitative Analysis

    ERIC Educational Resources Information Center

    Rivera-Figueroa, A. M.; Ramazan, K. A.; Finlayson-Pitts, B. J.

    2004-01-01

    A quantitative and qualitative study of the interplay between absorption, fluorescence, and excitation spectra of pollutants called polycyclic aromatic hydrocarbons (PAHs) is conducted. The study of five PAH displays the correlation of the above-mentioned properties along with the associated molecular changes.

  2. Particle in a Disk: A Spectroscopic and Computational Laboratory Exercise Studying the Polycyclic Aromatic Hydrocarbon Corannulene

    ERIC Educational Resources Information Center

    Frey, E. Ramsey; Sygula, Andrzej; Hammer, Nathan I.

    2014-01-01

    This laboratory exercise introduces undergraduate chemistry majors to the spectroscopic and theoretical study of the polycyclic aromatic hydrocarbon (PAH), corannulene. Students explore the spectroscopic properties of corannulene using UV-vis and Raman vibrational spectroscopies. They compare their experimental results to simulated vibrational…

  3. Sources and deposition of polycyclic aromatic hydrocarbons to western US national parks

    EPA Science Inventory

    Seasonal snowpack, lichens, and lake sediment cores were collected from fourteen lake catchments in eight western U.S. National Parks and analyzed for sixteen polycyclic aromatic hydrocarbons (PAHs) to determine their current and historical deposition, as well as to identify thei...

  4. POLYCYCLIC AROMATIC HYDROCARBON BIODEGRADATION AS A FUNCTION OF OXYGEN TENSION IN CONTAMINATED SOIL

    EPA Science Inventory

    Laboratory tests were conducted to determine the effect of soil gas oxygen concentration on the degradation and mineralization of spiked 14C-pyrene and nonspiked 16 priority pollutant polycyclic aromatic hydrocarbons (PAH) present in the soil. The soil used for the evaluation was...

  5. Particle in a Disk: A Spectroscopic and Computational Laboratory Exercise Studying the Polycyclic Aromatic Hydrocarbon Corannulene

    ERIC Educational Resources Information Center

    Frey, E. Ramsey; Sygula, Andrzej; Hammer, Nathan I.

    2014-01-01

    This laboratory exercise introduces undergraduate chemistry majors to the spectroscopic and theoretical study of the polycyclic aromatic hydrocarbon (PAH), corannulene. Students explore the spectroscopic properties of corannulene using UV-vis and Raman vibrational spectroscopies. They compare their experimental results to simulated vibrational…

  6. Enumeration and phylogenetic analysis of polycyclic aromatic hydrocarbon-degrading marine bacteria from Puget Sound sediments

    SciTech Connect

    Geiselbrecht, A.D.; Herwig, R.P.; Deming, J.W.; Staley, J.T.

    1996-09-01

    Polycyclic aromatic hydrocarbons (PAHs) are primarily released into the environment through anthropomorphic sources. PAH degradation has been known to occur in marine sediments. This paper describes the enumeration, isolation, and preliminary characterization of PAH-degrading strains from Puget Sound sediments. 38 refs., 3 figs., 3 tabs.

  7. Bacterial biodegradation of polycyclic aromatic hydrocarbons (PAH) and potential effects of surfactants on PAH bioavailability

    SciTech Connect

    Aitken, M.D.; Grimberg, S.J.; Nagel, J.; Nagel, R.D.; Stringfellow, W.T.

    1996-02-01

    The purposes of this project were to evaluate whether indigenous microorganisms from polycyclic aromatic hydrocarbons (PAH)-contaminated soils produce surfactants (biosurfactants) as a means of enhancing the bioavailability of PAH; to improve the understanding of the general physiology of a diverse group of PAH-degrading bacteria; and to study in general how surfactants influence the biodegradation of hydrophobic chemicals.

  8. POLYCYCLIC AROMATIC HYDROCARBON BIODEGRADATION AS A FUNCTION OF OXYGEN TENSION IN CONTAMINATED SOIL

    EPA Science Inventory

    Laboratory tests were conducted to determine the effect of soil gas oxygen concentration on the degradation and mineralization of spiked 14C-pyrene and nonspiked 16 priority pollutant polycyclic aromatic hydrocarbons (PAH) present in the soil. The soil used for the evaluation was...

  9. EFFECT OF IRRADIANCE SPECTRA ON THE PHOTOINDUCED TOXICITY OF THREE POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    Photoinduced toxicity of polycyclic aromatic hydrocarbons (PAHs) is dependent on the concentration of compounds present and the dose of light received. Of the light present, only those wavelengths absorbed by the compound have the potential to initiate the photochemical events un...

  10. THE EFFECT OF IRRADIANCE SPECTRA ON THE PHOTOACTIVATED TOXICITY OF THREE POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    Photoinduced toxicity of polycyclic aromatic hydrocarbons (PAHs) is dependent on the concentration of compounds present and the dose of light recieved. Of the light present, only those wavelengths absorbed by the compound have the potential to initiate the photochemical events un...

  11. Sediment porewater partitioning of polycyclic aromatic hydrocarbons in three cores from Boston Harbor, Massachusetts

    USGS Publications Warehouse

    Mcgroddy, S.E.; Farrington, J.W.

    1995-01-01

    Polycyclic aromatic hydrocarbon (PAH) concentrations were measured in sediments and porewaters isolated from three cores from Boston Harbor, MA. Measured porewater PAH concentrations were significantly lower than the concentrations predicted by two- and three-phase equilibrium partitioning models. We hypothesize that only a fraction of the measured sediment PAH concentrations was available to partition rapidly into sediment porewaters. ?? 1995 American Chemical Society.

  12. Occupational exposure to aromatic hydrocarbons and polycyclic aromatic hydrocarbons at a coke plant.

    PubMed

    Bieniek, Grażyna; Łusiak, Agnieszka

    2012-08-01

    The objective of this study was to assess the external exposure to aromatic hydrocarbons (AHs) and polycyclic aromatic hydrocarbons (PAHs) of coke-oven workers and by-product workers at a coke plant in Poland. The content of benzene, toluene, xylene, and naphthalene in a gaseous phase and the content of dibenzo[a,h]anthracene, benz[a]anthracene, anthracene, benzo[a]pyrene, benzo[b]fluoranthene, benzo[k]fluoranthene, benz[ghi]perylene, chrysene, and indeno[1,2,3-c,d]pyrene in a particulate phase of coke plant workers were measured in the workers mentioned above. A toxic equivalency factor BaP(eq) was used to estimate human health risk associated with respiratory exposure to PAHs. Time-weighted values of the exposure to AHs in the coke plant were as follows: benzene (range 0.01-2.71 mg m(-3)), toluene (0.01-1.73 mg m(-3)), xylene (0.01-0.78 mg m(-3)), naphthalene (6.0-6079 μg m(-3)), and the concentrations of hydrocarbons did not exceed the exposure limits. The results for particle-bound PAHs were equal to 1.96 μg m(-3) for B(a)P, 0.73 μg m(-3) for DBA, 3.23 μg m(-3) for BaA, 4.35 μg m(-3) for BbF, 3.02 μg m(-3) for BkF, 4.54 μg m(-3) for IND, 4.32 μg m(-3) for CHR, and 0.73 μg m(-3) for Ant. The results of personal air measurements (median values of the sum of nine carcinogenic PAHs) were 2.115 μg m(-3) (coke-oven workers, n = 207), 0.326 μg m(-3) (coke by-product workers, n = 33), and 0.653 μg m(-3) (total area workers, n = 38). The benzo[a]pyrene equivalent concentrations (BaP(eq)) of 10 PAHs were 1.33, 0.183, and 0.284 μg m(-3), respectively. We found out that coke plant workers are simultaneously exposed to a mixture of aromatic and polycyclic hydrocarbons present in the breathing zone air. Exposure levels are significantly influenced by job categories. Coke by-product workers are significantly more exposed to benzene, toluene, and xylene and less to PAHs. Coke-oven workers are mainly exposed to PAHs. Coke-oven workplaces (top side, coke side, and

  13. Applications of electrochemically-modulated liquid chromatography (EMLC): Separations of aromatic amino acids and polycyclic aromatic hydrocarbons

    SciTech Connect

    Deng, Li

    1998-03-27

    The research in this thesis explores the separation capabilities of a new technique termed electrochemically-modulated liquid chromatography (EMLC). The thesis begins with a general introduction section which provides a literature review of this technique as well as a brief background discussion of the two research projects in each of the next two chapters. The two papers which follow investigate the application of EMLC to the separation of a mixture of aromatic amino acids and of a mixture of polycyclic aromatic hydrocarbons (PAHs). The last section presents general conclusions and summarizes the thesis. References are compiled in the reference section of each chapter. The two papers have been removed for separate processing.

  14. Airborne Exposures to Polycyclic Aromatic Compounds Among Workers in Asphalt Roofing Manufacturing Facilities.

    PubMed

    Trumbore, David C; Osborn, Linda V; Johnson, Kathleen A; Fayerweather, William E

    2015-01-01

    We studied exposure of 151 workers to polycyclic aromatic compounds and asphalt emissions during the manufacturing of asphalt roofing products-including 64 workers from 10 asphalt plants producing oxidized, straight-run, cutback, and wax- or polymer-modified asphalts, and 87 workers from 11 roofing plants producing asphalt shingles and granulated roll roofing. The facilities were located throughout the United States and used asphalt from many refiners and crude oils. This article helps fill a gap in exposure data for asphalt roofing manufacturing workers by using a fluorescence technique that targets biologically active 4-6 ring polycyclic aromatic compounds and is strongly correlated with carcinogenic activity in animal studies. Worker exposures to polycyclic aromatic compounds were compared between manufacturing plants, at different temperatures and using different raw materials, and to important external benchmarks. High levels of fine limestone particulate in the plant air during roofing manufacturing increased polycyclic aromatic compound exposure, resulting in the hypothesis that the particulate brought adsorbed polycyclic aromatic compounds to the worker breathing zone. Elevated asphalt temperatures increased exposures during the pouring of asphalt. Co-exposures in these workplaces which act as confounders for both the measurement of total organic matter and fluorescence were detected and their influence discussed. Exposures to polycyclic aromatic compounds in asphalt roofing manufacturing facilities were lower than or similar to those reported in hot-mix paving application studies, and much below those reported in studies of hot application of built-up roofing asphalt. These relatively low exposures in manufacturing are primarily attributed to air emission controls in the facilities, and the relatively moderate temperatures, compared to built-up roofing, used in these facilities for oxidized asphalt. The exposure to polycyclic aromatic compounds was a very

  15. Polycyclic aromatic hydrocarbons in the South American environment.

    PubMed

    Barra, Ricardo; Castillo, Caroline; Torres, Joao Paulo Machado

    2007-01-01

    Pollution of the environment with polycyclic aromatic hydrocarbons (PAHs) should be a global concern, especially in urbanized areas. In South American countries, where notable increase in urban populations has been observed in the past few years, reliable information about the pollution status of these urban environments is not always easily accessible, and therefore an effort to collect updated information is required. This review attempts to contribute by analyzing the existing information regarding environmental levels of PAHs in some South American countries. A regional trend for environmental PAH information is an uneven contribution, because some countries, such as Bolivia, Peru, Paraguay, and Ecuador, have reported no information at all in the scientific literature, reflecting to a certain extent the different patterns of economic, technical, and scientific development. PAH air monitoring is one of the areas that has received the most attention during the last few years, mainly in Brazil, Chile, and Argentina, where data represent a few geographical areas within the region. PAH levels in air from some urban areas in Argentina, Brazil, and Chile, considered moderate to high (100-1000ng/m3), are probably among the highest values reported in the open literature. Urbanization, vehicle pollution, and wood fires are the principal contributors to the high reported levels. In more temperate areas, a clear distinction is observed between summer and winter levels. PAH monitoring in soils is very limited within the region, with few data available, and most information indicates widespread pollution. In Brazil, values for many representative ecosystems were found. In Chile, data from forestry and agricultural areas indicate in general low concentrations, in spite of a relatively high detection frequency. Pollution levels in soils are highly dependent on their closeness to PAH sources and certain cultural practices (agricultural burnings, forest fires, etc.). Water PAH

  16. Polycyclic Aromatic Hydrocarbons in an industrialized urban area

    NASA Astrophysics Data System (ADS)

    Cachada, A.; Pereira, R.; Ferreira da Silva, E.; Duarte, A. C.

    2009-04-01

    Urbanization, agricultural intensification and industrialization are contributing to erosion, local and diffuse contamination and sealing of soil surfaces, resulting in soil quality degradation. Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous in urban environments and considered good markers of anthropogenic activities such as traffic, industry, domestic heating and agriculture. Although they are subject to biodegradation and photodegradation, once in the soil, they tend to bind to the soil organic fraction. Estarreja is a small coastal town in the Northwestern Portuguese coast, with a close relation with the lagoon of Aveiro which supports a variety of biotopes (channels, islands with vegetation, mudflats, salt marshes and agricultural fields) of important ecological value. It supports an intensive and diversified agriculture, a variety of heavy and light industries and a population of about half a million people which is dependent on this resource. This is a very industrialized area, due to its five decades of chemical industry. This study aims to assess the impact of the urbanization and of the chemical industry in PAHs distribution. The survey and sampling method were based on pre-interpreted maps, aerial photographs, and directly checked in the field, in order to get an overall characterization of the area. Topsoils were collected from 34 sites, considering different land uses. Five land uses were chosen: ornamental gardens, parks, roadsides, forest and agricultural. Parameters such as soil pH (ISO method 10390:1994), total C, N, H, S percentages (microanalyser LECO, CNHS-932), organic matter (LOI at 430°), particle size distribution (Micromeritics® Sedigraph 5100), cation exchange capacity and exchangeable bases, were determined in order to have a general characterization of soil. Determination of the 16 EPA PAHs in soils was performed by GC/MS after a Soxhlet extraction and an alumina clean-up of extracts. Procedure blanks, duplicates and reference

  17. Peat fires as source of polycyclic aromatic hydrocarbons in soils

    NASA Astrophysics Data System (ADS)

    Tsibart, Anna

    2013-04-01

    Polycyclic aromatic hydrocarbons (PAHs) arrive from pyrogenic sources including volcanism and the combustion of oil products and plant materials. The production of PAHs during the combustion of plant materials was considered in a number of publications, but their results were mainly obtained in laboratory experiments. Insufficient data are available on the hightemperature production of PAHs in environmental objects. For example, natural fires are frequently related to the PAH sources in landscapes, but very little factual data are available on this topic. On Polistovskii reserve (Russia, Pskov region) the soil series were separated depending on the damage to the plants; these series included soils of plots subjected to fires of different intensities, as well as soils of the background plots. The series of organic and organomineral soils significantly differed in their PAH distributions. In this series, the concentration of PAHs in the upper horizons of the peat soils little varied or slightly decreased, but their accumulation occurred at a depth of 5-10 or 10-20 cm in the soils after the fires. For example, in the series of high moor soils, the content of PAHs in the upper horizons remained almost constant; significant differences were observed in the subsurface horizons: from 2 ng/g in the background soil to 70 ng/g after the fire. In the upper horizons of the oligotrophic peat soils under pine forests, the total PAH content also varied only slightly. At the same time, the content of PAHs in the soil series increased from 15 to 90 ng/g with the increasing pyrogenic damage to the plot. No clear trends of the PAH accumulation were recorded in the organomineral soils. The content of PAHs in the soddy-podzolic soil subjected to fire slightly decreased (from 20 to 10 ng/g) compared to the less damaged soil. In peat fires, the access of oxygen to the fire zone is lower than in forest fires. The oxygen deficit acts as a factor of the organic fragments recombination and

  18. Determination of chlorinated polycyclic aromatic hydrocarbons in water by solid-phase extraction coupled with gas chromatography and mass spectrometry.

    PubMed

    Wang, Xianli; Kang, Haiyan; Wu, Junfeng

    2016-05-01

    Given the potential risks of chlorinated polycyclic aromatic hydrocarbons, the analysis of their presence in water is very urgent. We have developed a novel procedure for determining chlorinated polycyclic aromatic hydrocarbons in water based on solid-phase extraction coupled with gas chromatography and mass spectrometry. The extraction parameters of solid-phase extraction were optimized in detail. Under the optimal conditions, the proposed method showed wide linear ranges (1.0-1000 ng/L) with correlation coefficients ranging from 0.9952 to 0.9998. The limits of detection and the limits of quantification were in the range of 0.015-0.591 and 0.045-1.502 ng/L, respectively. Recoveries ranged from 82.5 to 102.6% with relative standard deviations below 9.2%. The obtained method was applied successfully to the determination of chlorinated polycyclic aromatic hydrocarbons in real water samples. Most of the chlorinated polycyclic aromatic hydrocarbons were detected and 1-monochloropyrene was predominant in the studied water samples. This is the first report of chlorinated polycyclic aromatic hydrocarbons in water samples in China. The toxic equivalency quotients of chlorinated polycyclic aromatic hydrocarbons in the studied tap water were 9.95 ng the toxic equivalency quotient m(-3) . 9,10-Dichloroanthracene and 1-monochloropyrene accounted for the majority of the total toxic equivalency quotients of chlorinated polycyclic aromatic hydrocarbons in tap water.

  19. UV irradiation of polycyclic aromatic hydrocarbons in ices: production of alcohols, quinones, and ethers

    NASA Technical Reports Server (NTRS)

    Bernstein, M. P.; Sandford, S. A.; Allamandola, L. J.; Gillette, J. S.; Clemett, S. J.; Zare, R. N.

    1999-01-01

    Polycyclic aromatic hydrocarbons (PAHs) in water ice were exposed to ultraviolet (UV) radiation under astrophysical conditions, and the products were analyzed by infrared spectroscopy and mass spectrometry. Peripheral carbon atoms were oxidized, producing aromatic alcohols, ketones, and ethers, and reduced, producing partially hydrogenated aromatic hydrocarbons, molecules that account for the interstellar 3.4-micrometer emission feature. These classes of compounds are all present in carbonaceous meteorites. Hydrogen and deuterium atoms exchange readily between the PAHs and the ice, which may explain the deuterium enrichments found in certain meteoritic molecules. This work has important implications for extraterrestrial organics in biogenesis.

  20. Vapor pressures and enthalpies of sublimation of polycyclic aromatic hydrocarbons and their derivatives

    SciTech Connect

    Oja, V.; Suuberg, E.M.

    1998-05-01

    The vapor pressures of a series of polycyclic aromatic hydrocarbons (PAH) and heteroatom-containing PAH have been measured using the Knudsen effusion technique. Aromatic hydrocarbons examined included anthracene, phenanthrene, pyrene, 2,3-benzofluorene, naphthacene, perylene, pentacene, and coronene. Heteroatomic aromatic species examined included phenanthridine, perinaphthenone, 3-hydroxy-1-phenalen-1-one, benz[g]isoquinoline-5,10-dione, 1,2-benzodiphenylene sulfide, 1-hydroxypyrene, and 6,11-dihydroxy-5,12-naphthacenedione. The measurements were all made in the solid sublimation regime, and enthalpies of sublimation were calculated from the Clausius-Clapeyron equation.

  1. Hydroxypropyl cyclic β-(1 → 2)-D-glucans and epichlorohydrin β-cyclodextrin dimers as effective carbohydrate-solubilizers for polycyclic aromatic hydrocarbons.

    PubMed

    Choi, Jae Min; Jeong, Daham; Piao, Jinglan; Kim, Kyoungtea; Nguyen, Andrew Bao Loc; Kwon, Nak-Jung; Lee, Mi-Kyung; Lee, Im Soon; Yu, Jae-Hyuk; Jung, Seunho

    2015-01-12

    The removal of polycyclic aromatic hydrocarbons by soil washing using water is extremely difficult due to their intrinsic hydrophobic nature. In this study, the effective aqueous solubility enhancements of seven polycyclic aromatic hydrocarbons by chemically modified hydroxypropyl rhizobial cyclic β-(1 → 2)-D-glucans and epichlorohydrin β-cyclodextrin dimer have been investigated for the first time. In the presence of hydroxypropyl cyclic β-(1 → 2)-D-glucans, the solubility of benzo[a]pyrene is increased up to 38 fold of its native solubility. The solubility of pyrene and phenanthrene dramatically increased up to 160 and 359. Coronene, chrysene, perylene, and fluoranthene also show an increase of 11, 23, 23, and 97 fold, respectively, of enhanced solubility by complexation with synthetic epichlorohydrin β-cyclodextrin dimer. The physicochemical properties of the complex are characterized by Fourier-transform infrared spectra and differential scanning calorimetry. Utilizing a scanning electron microscopy, the morphological structures of native benzo[a]pyrene, pyrene, phenanthrene, coronene, chrysene, perylene, fluoranthene and their complex with novel carbohydrate-solubilizers are studied. These results elucidate that polycyclic aromatic hydrocarbons are able to form an efficient complex with hydroxypropyl cyclic β-(1 → 2)-D-glucans and β-cyclodextrin dimer, suggesting the potential usage of chemically modified novel carbohydrate-solubilizers.

  2. Hypoxia exacerbates the cardiotoxic effect of the polycyclic aromatic hydrocarbon, phenanthrene in Danio rerio.

    PubMed

    Cypher, Alysha D; Consiglio, Joanna; Bagatto, Brian

    2017-09-01

    The Deepwater Horizon oil spill of 2010 released a mixture of polycyclic aromatic hydrocarbons (PAHs) into the Gulf of Mexico presenting a complex exposure regime for native species. Concurrently, the Gulf has experienced an increase in hypoxic events due to agricultural runoff from the Mississippi River outflow. This combination presents a unique physiological challenge to native species and a challenge for researchers. The purpose of this study was to determine how the cardiotoxic PAH, phenanthrene interacts with hypoxia to affect the cardiovascular system of larval zebrafish (Danio rerio). We exposed zebrafish larvae to 0, 1, 100, and 1000 μg/L of phenanthrene in combination with normoxia and hypoxia. At late hatching, video of hearts and vessels were used to measure heart rate (ƒH), stroke volume (SV), cardiac output (Q), red blood cell velocity, and caudal vessel diameter. We found that the highest concentration of phenanthrene caused a 58, 80, and 84% decrease in ƒH, Q, and arterial red blood cell velocity in normoxia and an 88, 98, and 99% decrease in hypoxia, respectively. Co-exposed larvae also experienced higher rates of edema and lordosis in addition to a 33% increase in mortality rate with co-exposure to hypoxia at the 1000 μg/L concentration of phenanthrene. At 12 dpf, baseline swimming behavior was similar between treatments indicating partial recovery from embryonic exposure. This study shows that phenanthrene decreases cardiac parameters, most significantly heart rate and that this effect is exacerbated by simultaneous exposure to hypoxia. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Release of polycyclic aromatic compounds into a Mediterranean creek (Catalonia, NE Spain) after a forest fire.

    PubMed

    Vila-Escalé, M; Vegas-Vilarrúbia, T; Prat, N

    2007-05-01

    Wildfires produce polycyclic aromatic compounds (PACs), among which polycyclic aromatic hydrocarbons (PAHs) are of environmental concern. After a fire affecting a Mediterranean creek, we studied the distribution and short-term permanence of PACs and of 16 priority PAH pollutants in the aquatic environment. PACs were traced through absorbance and fluorescence emissions and organic carbon concentrations. PAHs were analysed by gas chromatography. High TOC/DOC concentrations and fluorescence/absorbance values reflected abnormal inputs of fire-induced aromatic compounds. Their concentrations decreased gradually but showed sporadic peaks after precipitation. Fifteen months later, values still surpassed background levels. Initially concentrations of individual and total PAH species of the dissolved, particulate and sediment phases were increased. Then they fluctuated with new PAH inputs related with runoff, leaching and soil erosion following precipitation events. All PAH concentrations approached background levels 15 months after the fire, and never reached values of toxicological concern. However, some bioaccumulation may have occurred.

  4. Investigation of the impacts of ethyl lactate based Fenton treatment on soil quality for polycyclic aromatic hydrocarbons (PAHs)-contaminated soils.

    PubMed

    Gan, Suyin; Yap, Chiew Lin; Ng, Hoon Kiat; Venny

    2013-11-15

    This study aims to investigate the impacts of ethyl lactate (EL) based Fenton treatment on soil quality for polycyclic aromatic hydrocarbons (PAHs)-contaminated soils. Accumulation of oxygenated-polycyclic aromatic hydrocarbons (oxy-PAHs) was observed, but quantitative measurement on the most abundant compound 9,10-anthraquinone (ATQ) showed lower accumulation of the compound than that reported for ethanol (ET) based Fenton treatment. In general, as compared to conventional water (CW) based Fenton treatment, the EL based Fenton treatment exerted either a lower or higher negative impact on soil physicochemical properties depending on the property type and shared the main disadvantage of reduced soil pH. For revegetation, EL based Fenton treatment was most appropriately adopted for soil with native pH >/~ 6.2 in order to obtain a final soil pH >/~ 4.9 subject to the soil buffering capacity.

  5. Nitrated polycyclic aromatic hydrocarbons in urban air particles

    SciTech Connect

    Ramdahl, T.; Becher, G.; Bjorseth, A.

    1982-12-01

    The organic extract of urban air particles from St. Louis, MO, was fractionated by high-performance liquid chromatography. The moderately polar fraction was characterized by gas chromatography-electron impact and methane negative ion chemical ionization mass spectrometry. The compounds identified in the sample included nitronaphthalene, 9-nitroanthracene, 3-nitrofluoranthene, 1-nitropyrene, arenecarbonitriles, and several polycyclic ketones, quinones, and anhydrides. These studies represent the first mass spectrometric evidence of nitroaromatics in urban air particles.

  6. IMPORTANCE OF MATERNAL TRANSFER OF THE PHOTOREACTIVE POLYCYCLIC AROMATIC HYDROCARBON FLUORANTHENE FROM BENTHIC ADULT BIVALVES TO THEIR PELAGIC LARVAE

    EPA Science Inventory

    Laboratory experiments were conducted to determine if maternal transfer of polycyclic aromatic hydrocarbons (PAHs) from benthic adult bivalves could result in phototoxicity to their pelagic larvae when exposed to ultraviolet light (UV). In these experiments, adult bivalves were e...

  7. COMPARISON OF IMMUNOASSAY AND GAS CHROMATOGRAPHY/MASS SPECTROMETRY FOR MEASUREMENT OF POLYCYCLIC AROMATIC HYDROCARBONS IN CONTAMINATED SOIL

    EPA Science Inventory

    Polycyclic aromatic hydrocarbons (PAHs) are frequently encountered in the environment and may pose health concerns due to their carcinogenicity. A commercial enzyme-linked immunosorbent assay (ELISA), was evaluated as a screening method for monitoring PAHs at contaminated site...

  8. CROSS-INDUCTION OF PYRENE AND PHENANTHRENE IN MYCOBACTERIUM SP. ISOLATED FROM POLYCYCLIC AROMATIC HYDROCARBON CONTAMINATED RIVER SEDIMENTS

    EPA Science Inventory

    A polycyclic aromatic hydrocarbon (PAH)-degrading culture enriched from contaminated river sediments and a Mycobacterium sp. isolated from the enrichment were tested to investigate the possible synergistic and antagonistic interactions affecting the degradation of pyrene in the p...

  9. FORMATION OF POLYCYCLIC AROMATIC HYDROCARBONS AND THEIR GROWTH TO SOOT -A REVIEW OF CHEMICAL REACTION PATHWAYS. (R824970)

    EPA Science Inventory

    The generation by combustion processes of airborne species of current health concern such as polycyclic aromatic hydrocarbons (PAH) and soot particles necessitates a detailed understanding of chemical reaction pathways responsible for their formation. The present review discus...

  10. FORMATION OF POLYCYCLIC AROMATIC HYDROCARBONS AND THEIR GROWTH TO SOOT -A REVIEW OF CHEMICAL REACTION PATHWAYS. (R824970)

    EPA Science Inventory

    The generation by combustion processes of airborne species of current health concern such as polycyclic aromatic hydrocarbons (PAH) and soot particles necessitates a detailed understanding of chemical reaction pathways responsible for their formation. The present review discus...

  11. PHOTOACTIVATED POLYCYCLIC AROMATIC HYDROCARBON TOXICITY IN MEDAKA (ORYZIAS LATIPES) EMBRYOS: RELEVANCE TO ENVIRONMENTAL RISK IN CONTAMINATED SITES

    EPA Science Inventory

    The hazard for photoactivated toxicity of polycyclic aromatic hydrocarbons (PAHs) has been clearly demonstrated; however, to our knowledge, the risk in contaminated systems has not been characterized. To address this question, a median lethal dose (LD50) for fluoranthene photoa...

  12. IMPORTANCE OF MATERNAL TRANSFER OF THE PHOTOREACTIVE POLYCYCLIC AROMATIC HYDROCARBON FLUORANTHENE FROM BENTHIC ADULT BIVALVES TO THEIR PELAGIC LARVAE

    EPA Science Inventory

    Laboratory experiments were conducted to determine if maternal transfer of polycyclic aromatic hydrocarbons (PAHs) from benthic adult bivalves could result in phototoxicity to their pelagic larvae when exposed to ultraviolet light (UV). In these experiments, adult bivalves were e...

  13. IMPORTANCE OF BLACK CARBON IN DISTRIBUTION AND BIOACCUMULATION MODELS OF POLYCYCLIC AROMATIC HYDROCARBONS IN CONTAMINATED MARINE SEDIMENTS

    EPA Science Inventory

    The roles and relative importance of nonpyrogenic organic carbon (NPOC) and black carbon (BC) as binding phases of polycyclic aromatic hydrocarbons (PAHs) were assessed by their ability to estimate pore water concentrations and biological uptake in various marine sediments. Sedim...

  14. PHOTOACTIVATED POLYCYCLIC AROMATIC HYDROCARBON TOXICITY IN MEDAKA (ORYZIAS LATIPES) EMBRYOS: RELEVANCE TO ENVIRONMENTAL RISK IN CONTAMINATED SITES

    EPA Science Inventory

    The hazard for photoactivated toxicity of polycyclic aromatic hydrocarbons (PAHs) has been clearly demonstrated; however, to our knowledge, the risk in contaminated systems has not been characterized. To address this question, a median lethal dose (LD50) for fluoranthene photoa...

  15. Polycyclic Aromatic Hydrocarbons in Fine Particulate Matter Emitted from Burning Kerosene, Liquid Petroleum Gas, and Wood Fuels in Household Cookstoves

    EPA Science Inventory

    This study measured polycyclic aromatic hydrocarbon (PAH) composition in particulate matter emissions from residential cookstoves. A variety of fuel and cookstove combinations were examined, including: (i) liquid petroleum gas (LPG), (ii) kerosene in a wick stove, (iii) wood (10%...

  16. COMPARISON OF IMMUNOASSAY AND GAS CHROMATOGRAPHY/MASS SPECTROMETRY FOR MEASUREMENT OF POLYCYCLIC AROMATIC HYDROCARBONS IN CONTAMINATED SOIL

    EPA Science Inventory

    Polycyclic aromatic hydrocarbons (PAHs) are frequently encountered in the environment and may pose health concerns due to their carcinogenicity. A commercial enzyme-linked immunosorbent assay (ELISA), was evaluated as a screening method for monitoring PAHs at contaminated site...

  17. CROSS-INDUCTION OF PYRENE AND PHENANTHRENE IN MYCOBACTERIUM SP. ISOLATED FROM POLYCYCLIC AROMATIC HYDROCARBON CONTAMINATED RIVER SEDIMENTS

    EPA Science Inventory

    A polycyclic aromatic hydrocarbon (PAH)-degrading culture enriched from contaminated river sediments and a Mycobacterium sp. isolated from the enrichment were tested to investigate the possible synergistic and antagonistic interactions affecting the degradation of pyrene in the p...

  18. Δg: The new aromaticity index based on g-factor calculation applied for polycyclic benzene rings

    NASA Astrophysics Data System (ADS)

    Ucun, Fatih; Tokatlı, Ahmet

    2015-02-01

    In this work, the aromaticity of polycyclic benzene rings was evaluated by the calculation of g-factor for a hydrogen placed perpendicularly at geometrical center of related ring plane at a distance of 1.2 Å. The results have compared with the other commonly used aromatic indices, such as HOMA, NICSs, PDI, FLU, MCI, CTED and, generally been found to be in agreement with them. So, it was proposed that the calculation of the average g-factor as Δg could be applied to study the aromaticity of polycyclic benzene rings without any restriction in the number of benzene rings as a new magnetic-based aromaticity index.

  19. Milk and urine excretion of polycyclic aromatic hydrocarbons and their hydroxylated metabolites after a single oral administration in ruminants.

    PubMed

    Lapole, D; Rychen, G; Grova, N; Monteau, F; Le Bizec, B; Feidt, C

    2007-06-01

    The aim of this study was to establish the transfer of phenanthrene, pyrene, and benzo[a]pyrene and their major hydroxylated metabolites to milk and to urine after a single oral administration (100 mg per animal of each compound) in 4 lactating goats. Detection and identification of the analytes (native compounds, 1-OH pyrene, 3-OH phenanthrene, 3-OH benzo[a]pyrene) were achieved using gas chromatography-mass spectrometry. Benzo[a]pyrene, phenanthrene, and pyrene were rapidly detected in the plasma stream, whereas 1-OH pyrene and 3-OH phenanthrene appeared later in plasma. These data suggest that pyrene and phenanthrene are progressively metabolized within the organism. Recovery rates of pyrene and phenanthrene in milk over a 24-h period appeared to be very low (0.014 and 0.006%, respectively), whereas the transfer rates of their corresponding metabolites were significantly higher: 0.44% for 1-OH pyrene and 0.073% for 3-OH phenanthrene. Recovery rates in urine were found to be higher (1 to 10 times) than recovery rates in milk. The 1-OH pyrene was found to be the main metabolite in urine as well as in milk. Thus, as has been established for humans, 1-OH pyrene could be considered as a marker of ruminant exposure to polycyclic aromatic hydrocarbons. Because 1-OH pyrene and 3-OH phenanthrene were measured in milk (unlike their corresponding native molecules), metabolites of polycyclic aromatic hydrocarbons should be taken into consideration when evaluating the safety of milk. Benzo[a]pyrene and 3-OH benzo[a]pyrene were (less than 0.005%) transferred to milk and urine in very slight amounts. This very limited transfer rate of both compounds suggests a low risk of exposure by humans to benzo[a]pyrene or its major metabolite from milk or milk products.

  20. [Effects of smoking on the concentrations of urinary 10 metabolites of polycyclic aromatic hydrocarbons in coke oven workers].

    PubMed

    He, Yun-feng; Zhang, Wang-zhen; Kuang, Dan; Deng, Hua-xin; Li, Xiao-hai; Lin, Da-feng; Deng, Qi-fei; Huang, Kun; Wu, Tang-chun

    2012-12-01

    To explore the effects of smoking on urinary 10 metabolites of polycyclic aromatic hydrocarbons (PAHs) in the coke oven workers. Occupational health examination was performed on 1401 coke oven workers in one coking plant, their urine were collected respectively. The concentrations of the ten monohydroxy polycyclic aromatic hydrocarbons in urine were detected by gas chromatography/mass spectrometry. The 1401 workers were divided into four groups, namely control, adjunct workplaces, bottom and side, top group according to their workplaces and the different concentrations of PAHs in the environment. The concentrations of the ten monohydroxy polycyclic aromatic hydrocarbons between smokers and nonsmokers in each workplace group were compared using analysis of covariance, respectively. The levels of concentrations of the sixteen polycyclic aromatic hydrocarbons we detected at control were significantly higher than those at other areas (P < 0.05). Comparing the ten monohydroxy polycyclic aromatic hydrocarbons levels between smokers and nonsmokers, the levels of 1-hydroxynaphthalene and 2-hydroxynaphthalene among smokers were higher than nonsmokers with statistically significance in control, adjunct workplaces, bottom and side and top groups (P < 0.05). However, the levels of 1-hydroxypyrene had no statistically significant differences between the four areas. Urinary 1-hydroxynaphthalene and 2-hydroxynaphthalene may be used as biomarkers for the impact of smoking on monohydroxy polycyclic aromatic hydrocarbons in the coke oven workers.

  1. Renal cancer risk and occupational exposure to polycyclic aromatic hydrocarbons and plastics

    PubMed Central

    Karami, Sara; Boffetta, Paolo; Brennan, Paul; Stewart, Patricia A.; Zaridze, David; Matveev, Vsevolod; Janout, Vladimir; Kollarova, Helena; Bencko, Vladimir; Navratilova, Marie; Szeszenia-Dabrowska, Neonila; Mates, Dana; Gromiec, Jan P.; Sobotka, Roman; Chow, Wong-Ho; Rothman, Nathaniel; Moore, Lee E.

    2011-01-01

    Objective To investigate whether occupational exposure to polycyclic aromatic hydrocarbons and certain plastic monomers increased renal cell carcinomas (RCC) risk. Methods Unconditional logistic regression was used to calculate RCC risk in relation to exposure. Results No association between RCC risk and having ever been occupationally exposed to any polycyclic aromatic hydrocarbons or plastics was observed. Duration of exposure and average exposure also showed no association with risk. Suggestive positive associations between RCC risk and cumulative exposure to styrene (P-trend = 0.02) and acrylonitrile (P-trend = 0.06) were found. Cumulative exposure to petroleum/gasoline engine emissions was inversely associated with risk (P-trend = 0.02). Conclusions Results indicate a possible association between occupational styrene and acrylonitrile exposure and RCC risk. Additional studies are needed to replicate findings, as this is the first time these associations have been reported and they may be due to chance. PMID:21270648

  2. Characterization of subsurface polycyclic aromatic hydrocarbons at the Deepwater Horizon site

    NASA Astrophysics Data System (ADS)

    Diercks, Arne-R.; Highsmith, Raymond C.; Asper, Vernon L.; Joung, DongJoo; Zhou, Zhengzhen; Guo, Laodong; Shiller, Alan M.; Joye, Samantha B.; Teske, Andreas P.; Guinasso, Norman; Wade, Terry L.; Lohrenz, Steven E.

    2010-10-01

    Here, we report the initial observations of distributions of polycyclic aromatic hydrocarbons (PAH) in subsurface waters near the Deepwater Horizon oil well site (also referred to as the Macondo, Mississippi Canyon Block 252 or MC252 well). Profiles of in situ fluorescence and beam attenuation conducted during 9-16 May 2010 were characterized by distinct peaks at depths greater than 1000 m, with highest intensities close to the wellhead and decreasing intensities with increasing distance from the wellhead. Gas chromatography/mass spectrometry (GC/MS) analyses of water samples coinciding with the deep fluorescence and beam attenuation anomalies confirmed the presence of polycyclic aromatic hydrocarbons (PAH) at concentrations reaching 189 μg L-1 (ppb). Subsurface exposure to PAH at levels considered to be toxic to marine organisms would have occurred in discrete depth layers between 1000 and 1400 m in the region southwest of the wellhead site and extending at least as far as 13 km.

  3. PRESSURE EFFECTS IN POLYCYCLIC AROMATIC NITROGENATED HETEROCYCLES (PANHs): DIAGNOSTIC QUALITIES AND COSMOBAROMETRY POTENTIAL

    SciTech Connect

    Montgomery, Wren; Sephton, Mark A.

    2016-03-01

    The influence of polycyclic aromatic nitrogen heterocycles (PANHs), which have been suggested as contributors to the interstellar IR emission bands, on interstellar emission features is difficult to constrain because their infrared characteristics are strongly similar to those for polycyclic aromatic hydrocarbons (PAHs). One possible solution is to seek a means of visualizing the presence of PANHs that provides information that is distinct from that for PAHs. Although PANHs and PAHs have similar infrared characteristics in many settings, this relationship may not be universally maintained. We have used in situ high-pressure synchrotron-source Fourier transform infrared spectroscopy to determine that the responses of two representative molecules, acridine and anthracene, differ at high pressures (>ca. 1 GPa). Because there are a number of high-pressure environments that can be remotely observed by infrared spectroscopy, they represent a potential to glimpse the distribution of PANHs across the cosmos.

  4. Pressure Effects in Polycyclic Aromatic Nitrogenated Heterocycles (PANHs): Diagnostic Qualities and Cosmobarometry Potential

    NASA Astrophysics Data System (ADS)

    Montgomery, Wren; Sephton, Mark A.

    2016-03-01

    The influence of polycyclic aromatic nitrogen heterocycles (PANHs), which have been suggested as contributors to the interstellar IR emission bands, on interstellar emission features is difficult to constrain because their infrared characteristics are strongly similar to those for polycyclic aromatic hydrocarbons (PAHs). One possible solution is to seek a means of visualizing the presence of PANHs that provides information that is distinct from that for PAHs. Although PANHs and PAHs have similar infrared characteristics in many settings, this relationship may not be universally maintained. We have used in situ high-pressure synchrotron-source Fourier transform infrared spectroscopy to determine that the responses of two representative molecules, acridine and anthracene, differ at high pressures (>ca. 1 GPa). Because there are a number of high-pressure environments that can be remotely observed by infrared spectroscopy, they represent a potential to glimpse the distribution of PANHs across the cosmos.

  5. Soot formation from polycyclic aromatics. Technical progress report, September 1, 1980-February 28, 1981

    SciTech Connect

    Frenklach, M.

    1981-03-01

    The initial phase of this study has been focused on determining the accuracy of the absolute values of soot conversion and the reliability of the experimental techniques employed to determine soot formation from polycyclic aromatics in various shock tube experiments. The LSU experimental results have demonstrated consistency between the present observations and results reported by other research groups, thus eliminating the controversies suggested by a number of researchers. Analysis of the preliminary experimental data has resulted in the postulation of a new conceptual mechanistic model for soot formation from polycyclic aromatics. Preliminary analysis using the model offers an explanation of various experimental trends. Additional work with this conceptual model may subsequently lead to a more systematic approach for determination and classification of the soot formation data.

  6. Factors affecting elimination of polycyclic aromatic hydrocarbons from traditional smoked common carp meat

    NASA Astrophysics Data System (ADS)

    Babić, J.; Vidaković, S.; Škaljac, S.; Kartalović, B.; Ljubojević, D.; Ćirković, M.; Teodorović, V.

    2017-09-01

    Smoking techniques have been progressively improved and different procedures have been developed in different regions for treating fish. In these times, the technology is mainly used for enrichment of fish with specific taste and odour, to extend the shelf-life of these perishable products and appearance required widely on the market. A lot of chemical contaminants such as polycyclic aromatic hydrocarbons (PAHs) are formed during the combustion of fuel in the smoking process. PAHs are a group of compounds that have been the subject of great concern in the recent years due to their toxic, mutagenic and/or carcinogenic potentials to humans. These fact can have a significant impact on the acceptance of these products by consumers. In this review article, the objective is to describe factors affecting elimination of polycyclic aromatic hydrocarbons from traditional smoked common carp meat.

  7. Bioremoval of priority polycyclic aromatic hydrocarbons by a microbial community with high sorption ability.

    PubMed

    Sanches, Sandra; Martins, Mónica; Silva, Ana F; Galinha, Claudia F; Santos, Maria A; Pereira, Inês A C; Crespo, Maria Teresa Barreto

    2017-02-01

    The treatment of large volumes of wastewater during oil refining is presently a challenge. Bioremediation has been considered an eco-friendly approach for the removal of polycyclic aromatic hydrocarbons (PAHs), which are one of the most hazardous groups of organic micropollutants. However, it is crucial to identify native PAH-removing microorganisms for the development of an effective bioremediation process. This study reports the high potential of an anaerobic microbial consortium enriched from a petrochemical refinery wastewater to remove two priority PAHs-acenaphthene and phenanthrene. Seventy-seven percent of acenaphthene was removed within 17 h, whereas phenanthrene was no longer detected after 15 h. Bioremoval rates were extremely high (0.086 and 0.156 h(-1) for acenaphthene and phenanthrene, respectively). The characterization of the microbial communities by next-generation sequencing and fluorescence in situ hybridization showed that the PAH-removing consortium was mainly composed by bacteria affiliated to Diaphorobacter and Paracoccus genera, independently of the PAH tested. Moreover, besides biodegradation, biosorption was a relevant mechanism involved in the removal of both PAHs, which is an important finding since biosorption is less expensive than biodegradation and can be carried out with dead biomass. Although biodegradation is the most commonly reported biological mechanism for PAH removal, this study demonstrated that biosorption by this microbial community may be extremely efficient for their removal. Given the outstanding ability of this microbial consortium to quickly remove the compounds addressed, it could be further applied for the bioremediation of PAHs in refinery wastewaters and other contaminated environments.

  8. NMR solution structures of adducts derived from the binding of polycyclic aromatic diol epoxides to DNA

    SciTech Connect

    Cosman, M.; Patel, D.J.; Hingerty, B.E.; Amin, S.; Broyde, S.; Geacintov, N.E.

    1995-12-31

    Site-specifically modified oligonucleotides were derived from the reactions of stereoisomeric polycyclic aromatic diol epoxide metabolite model compounds with oligonucleotides of defined base composition and sequence. The NMR solution structures of ten different adducts studied so far are briefly described, and it is shown that stereochemical factors and the nature of the oligonucleotide context of the complementary strands, exert a powerful influence on the conformational features of these adducts.

  9. Geochemistry of polycyclic aromatic hydrocarbons in Columbia River and Washington coastal sediments

    SciTech Connect

    Prahl, F.G.

    1982-01-20

    A field investigation was conducted to determine the origins, dispersal pathways and fates of polycyclic aromatic hydrocarbons (PAH) in a river-influenced coastal marine environment. Complete PAH characterizations were combined with analyses of aliphatic hydrocarbons, organic carbon and nitrogen, lignin, lead-210 and several other parameters to clarify the geochemistry of this class of compounds in the Columbia River basin and the southern Washington continental shelf and slope. 94 references, 18 figures, 24 tables.

  10. Shape-persistent elliptic macrocycles composed of polycyclic aromatic hydrocarbons: synthesis and photophysical properties.

    PubMed

    Liu, Wen-Jun; Zhou, Yan; Zhou, Qi-Feng; Ma, Yuguo; Pei, Jian

    2008-06-05

    Bimolecular coupling/unimolecular cyclization strategies, including McMurry- and Glaser-type homocoupling reactions, were utilized to synthesize two shape-persistent elliptic macrocycles, which consist of polycyclic aromatic hydrocarbon units. The identity and purity of both macrocycles MC1 and MC2 were verified by 1H and 13C NMR, elemental analysis, as well as MALDI-TOF MS. The photophysical properties of MC1 and MC2 in dilute solution were also investigated.

  11. Synergism in the desorption of polycyclic aromatic hydrocarbons from soil models by mixed surfactant solutions.

    PubMed

    Sales, Pablo S; Fernández, Mariana A

    2016-05-01

    This study investigates the effect of a mixed surfactant system on the desorption of polycyclic aromatic hydrocarbons (PAHs) from soil model systems. The interaction of a non-ionic surfactant, Tween 80, and an anionic one, sodium laurate, forming mixed micelles, produces several beneficial effects, including reduction of adsorption onto solid of the non-ionic surfactant, decrease in the precipitation of the fatty acid salt, and synergism to solubilize PAHs from solids compared with individual surfactants.

  12. Degradation of Polycyclic Aromatic Hydrocarbons by a Newly Discovered Enteric Bacterium, Leclercia adecarboxylata

    PubMed Central

    Sarma, Priyangshu Manab; Bhattacharya, Dhruva; Krishnan, S.; Lal, Banwari

    2004-01-01

    A bacterial strain, PS4040, capable of degrading polycyclic aromatic hydrocarbons for use as the sole carbon source was isolated from oily-sludge-contaminated soil. The 16S rRNA gene showed 98.8% homology to that of Leclercia adecarboxylata. Comparative molecular typing with the clinical strain of L. adecarboxylata revealed that there were few comigrating and few distinct amplimers among them. PMID:15128584

  13. Phototoxicity of non-carcinogenic polycyclic aromatic hydrocarbons in aquatic organisms

    SciTech Connect

    Kagan, J.; Kagan, E.D.; Kagan, I.A.; Kagan, P.A.; Quigley, S.

    1985-01-01

    Anthracene, fluoranthene, and pyrene are phototoxic in Daphnia magna, Artemia salina, first instar larvae of Aedes aegypti, late embryonic forms of Rana pipiens, and fish (Pimephales promelas). Since polycyclic aromatic hydrocarbons are generated in the combustion processes held responsible for the damages of acid rain, and they are introduced into the environment through other means as well, the high phototoxicity of the major pollutants, which are not carcinogenic, suggests that greater attention must be given to their environmental significance.

  14. [Distribution of various polycyclic aromatic hydrocarbons in reservoir water of Estonia].

    PubMed

    Veldre, I A; Itra, A R; Paal'me, L P; Urbas, E R

    1985-01-01

    The paper presents experimental data on different polycyclic aromatic hydrocarbons (PAH) in water, bottom sediments and algae as well as evidence available in literature on their content in exhausts of automobiles, oil shale industry and power station. Attempts are made to reveal differences in sources of the environment pollution with allowance for different PAH/benzo(a)pyrene percentage ratio, but as the PAH ratios are relatively similar in different pollution sources this attempt was a failure.

  15. Toxicity of aromatic polycyclic hydrocarbons. (Latest citations from the Life Sciences Collection database). Published Search

    SciTech Connect

    1997-04-01

    The bibliography contains citations concerning the toxicity and biochemical effects of aromatic polycyclic hydrocarbons. Topics include effects on metabolism and liver activity, cellular responses, binding characteristics, and the occurrence and path of the compounds in food chains. Bioaccumulation studies in specific areas, and isolation and detection techniques are also considered. (Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)

  16. Toxicity of polycyclic aromatic hydrocarbons. (Latest citations from Pollution abstracts). Published Search

    SciTech Connect

    Not Available

    1994-06-01

    The bibliography contains citations concerning the toxicity and biochemical effects of aromatic polycyclic hydrocarbons. Topics include effects on metabolism and liver activity, cellular responses, binding characteristics, and the occurrence and path of the compounds in food chains. Bioaccumulation studies in specific areas, and isolation and detection techniques are also considered. (Contains a minimum of 242 citations and includes a subject term index and title list.)

  17. Toxicity of aromatic polycyclic hydrocarbons. (Latest citations from the Life Sciences Collection database). Published Search

    SciTech Connect

    1995-12-01

    The bibliography contains citations concerning the toxicity and biochemical effects of aromatic polycyclic hydrocarbons. Topics include effects on metabolism and liver activity, cellular responses, binding characteristics, and the occurrence and path of the compounds in food chains. Bioaccumulation studies in specific areas, and isolation and detection techniques are also considered. (Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)

  18. Fingerprint of polycyclic aromatic hydrocarbons in two populations of southern sea lions (Otaria flavescens).

    PubMed

    Marsili, L; Fossi, M C; Casini, S; Savelli, C; Jimenez, B; Junin, M; Castello, H

    1997-02-01

    The fingerprint of 14 polycyclic aromatic hydrocarbons (PAHs) was investigated in biopsy, fur, blood, liver and faeces of live and dead specimens of two Argentinian population of southern sea lion (Otaria flavescens). One colony lives in Mar del Plata harbour which is particularly polluted with petroleum, the second (control) colony lives at Punta Bermeja (Patagonia). The highest concentrations of the five carcinogenic PAHs were found in the Mar del Plata sea lions.

  19. The possible existence of interstellar Polycyclic Aromatic Hydrocarbons (PAHs) in collected interplanetary dust particles

    NASA Technical Reports Server (NTRS)

    Sandford, S. A.

    1986-01-01

    Extraterrestrial dust particles which are 3 to 50 microns in size are routinely collected in the stratosphere and are now available for general laboratory study. These grains represent true Interplanetary Dust Particles (IDPs). Issues associated with the carbon containing components of IDPs which occur in a variety of physical forms, including amorphous mantles and matrix materials, are addressed. The observed properties of the hydrocarbon phase in IDPs are compared with those expected for polycyclic aromatic hydrocarbons (PAHs).

  20. Biosurfactant production by a soil Pseudomonas strain growing on polycyclic aromatic hydrocarbons

    SciTech Connect

    Deziel, E.; Paquette, G.; Villemur, R.; Lepine, F.

    1996-06-01

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous pollutants occurring mostly as a result of fossil fuel combustion and as by-products of industrial activities. The bioremediation of soils contaminated with PAHs is limited by the poor availability of dyrophobic contaminants to microorganisms. Surfactants can help. Recent studies indicate that addition of surfactants can enhance hydrocarbon biodegradation. This study examines whether production of surfactants by PAH-metabolizing microorganisms is part of their strategy for growing on such poorly available substrates.

  1. Emission characteristics of polycyclic aromatic hydrocarbons and nitro-polycyclic aromatic hydrocarbons from diesel trucks based on on-road measurements

    NASA Astrophysics Data System (ADS)

    Cao, Xinyue; Hao, Xuewei; Shen, Xianbao; Jiang, Xi; Wu, Bobo; Yao, Zhiliang

    2017-01-01

    Polycyclic aromatic hydrocarbon (PAH) and nitro-polycyclic aromatic hydrocarbon (NPAH) emissions from 18 diesel trucks of different sizes and with different emission standards were tested in Beijing using a portable emission measurement system (PEMS). Both the gaseous- and particulate-phase PAHs and NPAHs were quantified by high-performance liquid chromatography (HPLC) in the laboratory. The emission factors (EFs) of the total PAHs from light-duty diesel trucks (LDDTs), medium-duty diesel trucks (MDDTs) and heavy-duty diesel trucks (HDDTs) were 82229.11 ± 41906.06, 52867.43 ± 18946.47 and 93837.35 ± 32193.14 μg/km, respectively, much higher than the respective values of total NPAHs from their counterpart vehicles. The gaseous phase had an important contribution to the total PAHs and NPAHs, with a share rate of approximately 69% and 97% on average, respectively. The driving cycle had important impacts on the emissions of PAHs and NPAHs, especially for LDDTs and HDDTs. Higher emissions of PAHs and NPAHs were detected on non-highway roads compared to that on highways for these two types of vehicles. Compared to the results of different studies, the difference in the EFs of PAHs and NPAHs can reach several orders of magnitudes, which would introduce errors in the development of an emission inventory of PAHs and NPAHs.

  2. [Halogenated polycyclic aromatic hydrocarbons in surface sediments of Maozhou River, Shenzhen].

    PubMed

    Sun, Jian-Lin; Ni, Hong-Gang; Ding, Chao; Zeng, Hui

    2012-09-01

    Surface sediments collected from the Maozhou River watershed in Shenzhen were analyzed for the concentration levels and spatial distribution characteristics of halogenated polycyclic aromatic hydrocarbons (HPAHs) using GC-MS. Total concentrations of three chlorinated polycyclic aromatic hydrocarbons (ClPAHs) and six brominated polycyclic aromatic hydrocarbons (BrPAHs) of concern ranged from 3.00 to 301 ng x g(-1) and 7.52 to 285 ng x g(-1), respectively. Source appointments indicated that the HPAHs in these surface sediments were mainly derived from waste incineration, fossil fuel combustion, vehicle emission, and burning of crop straw, accounting for 40%, 20.5% 11.9%, and 11.7% of the total loading, respectively. Additionally, the toxic equivalency quotients (TEQ) of total ClPAHs and BrPAHs ranged from 7.95 to 38.1 pg x g(-1) and 38.1 to 105 pg x g(-1) respectively. Finally, the relationships between the HPAHs levels and different land use types were examined. Results indicated that the levels of HPAHs in surface sediments showed a decreasing trend after the first increase to the peak with the density of industrial land, but inversely proportional to the density of agricultural land.

  3. Processing of atmospheric polycyclic aromatic hydrocarbons by fog in an urban environment.

    PubMed

    Ehrenhauser, Franz S; Khadapkar, Kalindi; Wang, Youliang; Hutchings, James W; Delhomme, Olivier; Kommalapati, Raghava R; Herckes, Pierre; Wornat, Mary J; Valsaraj, Kalliat T

    2012-10-26

    Polycyclic aromatic hydrocarbons (PAH) are ubiquitous pollutants in the atmosphere, predominantly known for their toxicity. Although there has been substantial work on the atmospheric degradation of PAH, little is known about how the presence of atmospheric droplets (e.g., a fog cloud) affects the fate of PAH. In order to assess the processing of PAH and their corresponding oxidation products during a fog event, two field-sampling campaigns in Fresno, CA and Davis, CA were conducted. The simultaneous evaluation of concentrations of the PAH and oxygenated polycyclic aromatic compounds (OPAC) in the gas phase, particulate matter and fog water droplets before, during and after fog allows for the characterization of transformative and transport processes in a fog cloud. By tracking the ratio of OPAC to PAH in the individual atmospheric phases, two major polycyclic aromatic compounds-processing pathways can be identified: (i) the dissolution of OPAC from particulate matter and (ii) the uptake and oxidation of PAH in the fog water droplets. Wet deposition steadily decreases the pollutant concentration in the fog cloud droplets during a fog event; however, uptake and concentration via evaporative water loss upon the dissipation of a fog cloud cause an increase in the atmospheric pollutant concentration.

  4. Assessment of the bioavailability and phytotoxicity of sediment spiked with polycyclic aromatic hydrocarbons.

    PubMed

    Rončević, Srđan; Spasojević, Jelena; Maletić, Snežana; Jazić, Jelena Molnar; Isakovski, Marijana Kragulj; Agbaba, Jasmina; Grgić, Marko; Dalmacija, Božo

    2016-02-01

    Large amounts of sediment are dredged globally every year. This sediment is often contaminated with low concentrations of metals, polycyclic aromatic hydrocarbons, pesticides and other organic pollutants. Some of this sediment is disposed of on land, creating a need for risk assessment of the sediment disposal method, to minimize the degradation of environmental quality and prevent risks to human health. Evaluating the available fractions of certain polycyclic aromatic hydrocarbons is very important, as in the presence of various organisms, they are believed to be easily subject to the processes of bioaccumulation, biosorption and transformation. In order to determine the applicability of applying these methods for the evaluation of pollutant bioavailability in sediments, the desorption kinetics from the sediment of various polycyclic aromatic hydrocarbons in the presence of Tenax and XAD4 were examined over the course of 216 h. Changes in the PAH concentrations in dredged sediments using five different seed plants during a short time of period (10 days) were also followed. Using chemical extraction techniques with Tenax and XAD4, a time of around 24 h is enough to achieve equilibrium for all four PAHs. Results showed good agreement between the seed accumulation and PAH extraction methods with both agents. If we compare the two extraction techniques, XAD4 gave better results for phenanthrene, pyrene and benzo(a)pyrene, and Tenax gave better results for chrysene.

  5. Polycyclic aromatic hydrocarbons and heavy metals in the Cispata Bay, Colombia: A marine tropical ecosystem.

    PubMed

    Burgos-Núñez, Saudith; Navarro-Frómeta, Amado; Marrugo-Negrete, José; Enamorado-Montes, Germán; Urango-Cárdenas, Iván

    2017-07-15

    The concentrations of polycyclic aromatic hydrocarbons and heavy metals were evaluated in shallow sediments, water, fish and seabird samples from the Cispata Bay, Colombia. The heavy metals concentrations in the sediment was in the following order: Cu>Pb>Hg>Cd. The heavy metal concentration was different (p<0.05) in juvenile and adult birds. High concentrations of mercury were registered in the seabird (10.19±4.99mgkg(-1)) and fish (0.67μgg(-1)) samples. The total concentration of polycyclic aromatic hydrocarbons ranged from 7.0-41ngg(-1) in sediment, 0.03-0.34ngmL(-1) in water samples, 53.24ngg(-1) in fish, and 66ngg(-1) in seabirds. The high concentrations of heavy metals in seabirds may be explained by their feeding habits. The presence of polycyclic aromatic hydrocarbons in the Cispata Bay may be due to hydrocarbon spills during oil transport at the nearby oil port. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Impact of polychlorinated biphenyl and polycyclic aromatic hydrocarbon sequestration in sediment on bioaccumulation in aquatic food webs.

    PubMed

    Moermond, Caroline T A; Roessink, Ivo; Jonker, Michiel T O; Meijer, Thijs; Koelmans, Albert A

    2007-04-01

    It is not clear whether sequestration or aging of organic chemicals like polychlorinated biphenyls (PCBs) and polycyclic aromatic hydrocarbons (PAHs) limits accumulation in higher levels of aquatic food chains. Therefore, the effect of aging on accumulation was studied in 1(-m3) model ecosystems that mimicked fish-dominated, macrophyte-dominated, and fish- and macrophyte-dominated shallow lakes. Also treatments without fish and macrophytes were included. General characteristics, biomasses, total (Soxhlet-extractable), and labile (6-h Tenax-extractable) PCB and PAH concentrations in sediment and biota were monitored over time. Accumulation data for PCB 28, PCB 149, and fluoranthene (native to the sediment taken from the field) were compared to those for spiked analogues PCB 29, PCB 155, and fluoranthene-d10. Labile fractions for spiked compounds were higher than for their native analogues and decreased over time, suggesting sequestration in the sediment. In the majority of cases, 6-h Tenax-extractable concentrations correlated better with concentrations in biota than Soxhlet-extractable concentrations. Ecosystem structure affected food web accumulation, but replicate variability was too high to detect clear treatment effects. Differences in accumulation between spiked compounds and their native analogues indicated an effect of aging for invertebrates, macrophytes, and benthivorous fish. Thus, aging may translate directly into reduced uptake at higher trophic levels.

  7. Combined effects of prenatal polycyclic aromatic hydrocarbons and material hardship on child IQ.

    PubMed

    Vishnevetsky, Julia; Tang, Deliang; Chang, Hsin-Wen; Roen, Emily L; Wang, Ya; Rauh, Virginia; Wang, Shuang; Miller, Rachel L; Herbstman, Julie; Perera, Frederica P

    2015-01-01

    Polycyclic aromatic hydrocarbons are common carcinogenic and neurotoxic urban air pollutants. Toxic exposures, including air pollution, are disproportionately high in communities of color and frequently co-occur with chronic economic deprivation. We examined whether the association between child IQ and prenatal exposure to polycyclic aromatic hydrocarbons differed between groups of children whose mothers reported high vs. low material hardship during their pregnancy and through child age 5. We tested statistical interactions between hardships and polycyclic aromatic hydrocarbons, as measured by DNA adducts in cord blood, to determine whether material hardship exacerbated the association between adducts and IQ scores. Prospective cohort. Participants were recruited from 1998 to 2006 and followed from gestation through age 7 years. Urban community (New York City) A community-based sample of 276 minority urban youth EXPOSURE MEASURE: Polycyclic aromatic hydrocarbon-DNA adducts in cord blood as an individual biomarker of prenatal polycyclic aromatic hydrocarbon exposure. Maternal material hardship self-reported prenatally and at multiple timepoints through early childhood. Child IQ at 7 years assessed using the Wechsler Intelligence Scale for Children. Significant inverse effects of high cord PAH-DNA adducts on full scale IQ, perceptual reasoning and working memory scores were observed in the groups whose mothers reported a high level of material hardship during pregnancy or recurring high hardship into the child's early years, and not in those without reported high hardship. Significant interactions were observed between high cord adducts and prenatal hardship on working memory scores (β = -8.07, 95% CI (-14.48, -1.66)) and between high cord adducts and recurrent material hardship (β = -9.82, 95% CI (-16.22, -3.42)). The findings add to other evidence that socioeconomic disadvantage can increase the adverse effects of toxic physical "stressors" like air pollutants

  8. Fingerprints of polycyclic aromatic hydrocarbons (PAHs) in infrared absorption spectroscopy.

    PubMed

    Tommasini, Matteo; Lucotti, Andrea; Alfè, Michela; Ciajolo, Anna; Zerbi, Giuseppe

    2016-01-05

    We have analyzed a set of 51 PAHs whose structures have been hypothesized from mass spectrometry data collected on samples extracted from carbon particles of combustion origin. We have obtained relationships between infrared absorption signals in the fingerprint region (mid-IR) and the chemical structures of PAHs, thus proving the potential of IR spectroscopy for the characterization of the molecular structure of aromatic combustion products. The results obtained here for the spectroscopic characterization of PAHs can be also of interest in Materials Science and Astrophysics.

  9. THE EFFECTS OF EQUIVALENCE RATIO ON THE FORMATION OF POLYCYCLIC AROMATIC HYDROCARBONS AND SOOT IN PREMIXED ETHANE FLAMES. (R825412)

    EPA Science Inventory

    Abstract

    The formation of polycyclic aromatic hydrocarbons (PAH) and soot has been investigated in atmospheric-pressure, laminar, ethane/oxygen/argon premixed flames as a function of mixture equivalence ratio. Mole fraction profiles of major products, trace aromatics, ...

  10. THE EFFECTS OF EQUIVALENCE RATIO ON THE FORMATION OF POLYCYCLIC AROMATIC HYDROCARBONS AND SOOT IN PREMIXED ETHANE FLAMES. (R825412)

    EPA Science Inventory

    Abstract

    The formation of polycyclic aromatic hydrocarbons (PAH) and soot has been investigated in atmospheric-pressure, laminar, ethane/oxygen/argon premixed flames as a function of mixture equivalence ratio. Mole fraction profiles of major products, trace aromatics, ...

  11. Impact of Inoculation Protocols, Salinity, and pH on the Degradation of Polycyclic Aromatic Hydrocarbons (PAHs) and Survival of PAH-Degrading Bacteria Introduced into Soil

    PubMed Central

    Kästner, Matthias; Breuer-Jammali, Maren; Mahro, Bernd

    1998-01-01

    Degradation of polycyclic aromatic hydrocarbons (PAHs) and survival of bacteria in soil was investigated by applying different inoculation protocols. The soil was inoculated with Sphingomonas paucimobilis BA 2 and strain BP 9, which are able to degrade anthracene and pyrene, respectively. CFU of soil bacteria and of the introduced bacteria were monitored in native and sterilized soil at different pHs. Introduction with mineral medium inhibited PAH degradation by the autochthonous microflora and by the strains tested. After introduction with water (without increase of the pore water salinity), no inhibition of the autochthonous microflora was observed and both strains exhibited PAH degradation. PMID:9435090

  12. Deuterium enrichment of polycyclic aromatic hydrocarbons by photochemically induced exchange with deuterium-rich cosmic ices

    NASA Technical Reports Server (NTRS)

    Sandford, S. A.; Bernstein, M. P.; Allamandola, L. J.; Gillette, J. S.; Zare, R. N.

    2000-01-01

    The polycyclic aromatic hydrocarbon (PAH) coronene (C24H12) frozen in D2O ice in a ratio of less than 1 part in 500 rapidly exchanges its hydrogen atoms with the deuterium in the ice at interstellar temperatures and pressures when exposed to ultraviolet radiation. Exchange occurs via three different chemical processes: D atom addition, D atom exchange at oxidized edge sites, and D atom exchange at aromatic edge sites. Observed exchange rates for coronene (C24H12)-D2O and d12-coronene (C24D12)-H2O isotopic substitution experiments show that PAHs in interstellar ices could easily attain the D/H levels observed in meteorites. These results may have important consequences for the abundance of deuterium observed in aromatic materials in the interstellar medium and in meteorites. These exchange mechanisms produce deuteration in characteristic molecular locations on the PAHs that may distinguish them from previously postulated processes for D enrichment of PAHs.

  13. Deuterium enrichment of polycyclic aromatic hydrocarbons by photochemically induced exchange with deuterium-rich cosmic ices

    NASA Technical Reports Server (NTRS)

    Sandford, S. A.; Bernstein, M. P.; Allamandola, L. J.; Gillette, J. S.; Zare, R. N.

    2000-01-01

    The polycyclic aromatic hydrocarbon (PAH) coronene (C24H12) frozen in D2O ice in a ratio of less than 1 part in 500 rapidly exchanges its hydrogen atoms with the deuterium in the ice at interstellar temperatures and pressures when exposed to ultraviolet radiation. Exchange occurs via three different chemical processes: D atom addition, D atom exchange at oxidized edge sites, and D atom exchange at aromatic edge sites. Observed exchange rates for coronene (C24H12)-D2O and d12-coronene (C24D12)-H2O isotopic substitution experiments show that PAHs in interstellar ices could easily attain the D/H levels observed in meteorites. These results may have important consequences for the abundance of deuterium observed in aromatic materials in the interstellar medium and in meteorites. These exchange mechanisms produce deuteration in characteristic molecular locations on the PAHs that may distinguish them from previously postulated processes for D enrichment of PAHs.

  14. Role of source matrix in the bioavailability of polycyclic aromatic hydrocarbons to deposit-feeding benthic invertebrates.

    PubMed

    Rust, Aaron J; Burgess, Robert M; McElroy, Anne E; Cantwell, Mark G; Brownawell, Bruce J

    2004-11-01

    The bioavailability of polycyclic aromatic hydrocarbons (PAHs) to benthic organisms is complicated by the variety of ways that they are introduced to coastal waters (dissolved, as nonaqueous phase liquids, and tightly bound to soot, coal, tire rubber, and eroded shale). In order to better understand the controlling variables that affect chemical and biological availability of PAHs, a study was conducted in which three deposit-feeding infaunal benthic invertebrate species (Cirriformia grandis, Clymenella torquata, and Macoma balthica) were exposed to sediments amended with PAH-rich materials (coal dust, tire rubber, diesel soot, creosote, crude oil, and fuel oil). Lipid and organic carbon normalized bioaccumulation factors (BAF(1oc)s) were calculated after 20 d of exposure and PAH bioavailability from the different treatments was assessed. Bioaccumulation of coal-derived PAHs usually was too low to be measured, though PAHs associated with soot and tire rubber showed significant accumulation in organism tissues. Polycyclic aromatic hydrocarbons from the fuel oil, creosote, and crude oil treatments were more bioavailable than PAHs bound in solid carbonaceous matrices (soot, coal, and tire rubber). Desorption of PAHs from the amended sediments into seawater also was measured using XAD resin. As was observed with bioaccumulation, PAHs in coal were desorbed the least; tire rubber and diesel soot were intermediate; and creosote, fuel oil, and crude oil desorbed to the greatest extent. In only one out of the three species evaluated was PAH bioaccumulation related to extent of desorption after 20 d. Decoupling between biological and chemical availability may be due to species-specific factors such as surfactant-mediated solubilization in the guts of some deposit-feeding organisms. A significant finding of this work was the demonstration that PAHs associated with soot and tire rubber in their native state (rather than experimentally added) are available to some benthic biota.

  15. Polar polycyclic aromatic compounds from different coal types show varying mutagenic potential, EROD induction and bioavailability depending on coal rank.

    PubMed

    Meyer, Wiebke; Seiler, Thomas-Benjamin; Schwarzbauer, Jan; Püttmann, Wilhelm; Hollert, Henner; Achten, Christine

    2014-10-01

    Investigations of the bioavailability and toxicity of polycyclic aromatic compounds (PAC) have rarely considered the heterogeneity of coals and the impact of more polar PAC besides polycyclic aromatic hydrocarbons (PAH). Earlier, we investigated the toxicity of eight heterogeneous coals and their extracts. In the present study, the hazard potential with respect to mechanism-specific toxicity of polar fractions of dichloromethane extracts from coals was studied. Polar extract fractions of all coal types except for anthracite induced EROD activity (determined in RTL-W1 cells), independent of coal type (Bio-TEQs between 23 ± 16 and 52 ± 22 ng/g). The polar fractions of all bituminous coal extracts revealed mutagenic activity (determined using the Ames Fluctuation test). No significant mutation induction was detected for the polar extract fractions from the lignite, sub-bituminous coal and anthracite samples, which indicates a higher dependency on coal type for polar PAC here. Additionally, information on bioavailability was derived from a bioaccumulation test using the deposit-feeding oligochaete Lumbriculus variegatus which was exposed for 28 days to ground coal samples. Despite the high toxic potential of most coal extracts and a reduced biomass of Lumbriculus in bituminous coal samples, bioaccumulation of PAH and mortality after 28 days were found to be low. Limited bioaccumulation of PAH (up to 3.6 ± 3.8 mg/kg EPA-PAH) and polar PAC were observed for all coal samples. A significant reduction of Lumbriculus biomass was observed in the treatments containing bituminous coals (from 0.019 ± 0.004 g to 0.046 ± 0.011 g compared to 0.080 ± 0.025 g per replicate in control treatments). We conclude that bioavailability of native PAC from coals including polar PAC is low for all investigated coal types. In comparison to lignite, sub-bituminous coals and anthracite, the bioavailability of PAC from bituminous coals is slightly increased.

  16. Comparison of low-level polycyclic aromatic hydrocarbons in sediment revealed by Soxhlet extraction, microwave-assisted extraction, and pressurized liquid extraction.

    PubMed

    Itoh, Nobuyasu; Numata, Masahiko; Aoyagi, Yoshie; Yarita, Takashi

    2008-03-31

    We analyzed polycyclic aromatic hydrocarbons (PAHs) present in lake sediment at low levels (<1 microg g(-1)) by using Soxhlet extraction (Soxhlet), microwave-assisted extraction (MAE), and pressurized liquid extraction (PLE) in combination with gas chromatography and isotope-dilution mass spectrometry. Although all extraction techniques showed good repeatability for five target PAHs (relative standard deviation <5.2%, n=3), the results decreased in the order PLE>MAE>Soxhlet. Differences in the results originated mainly from differences in the extraction efficiencies of the techniques for native PAHs, because all techniques gave comparable recovery yields of corresponding 13C-labeled PAHs (13C-PAHs) (51-84%). Since non-negligible amounts of both native PAHs and 13C-PAHs were re-adsorbed on matrix in MAE, not only recovery yields of 13C-PAHs but also efficiencies of extraction of native PAHs should be examined to evaluate the appropriateness of any analytical procedures.

  17. Infrared spectra of protonated polycyclic aromatic hydrocarbon molecules: Azulene

    NASA Astrophysics Data System (ADS)

    Zhao, Dawei; Langer, Judith; Oomens, Jos; Dopfer, Otto

    2009-11-01

    The infrared (IR) spectrum of protonated azulene (AzuH+, C10H9+) has been measured in the fingerprint range (600-1800 cm-1) by means of IR multiple photon dissociation (IRMPD) spectroscopy in a Fourier transform ion cyclotron resonance mass spectrometer equipped with an electrospray ionization source using a free electron laser. The potential energy surface of AzuH+ has been characterized at the B3LYP/6-311G∗∗ level in order to determine the global and local minima and the corresponding transition states for interconversion. The energies of the local and global minima, the dissociation energies for the lowest-energy fragmentation pathways, and the proton affinity have been evaluated at the CBS-QB3 level. Comparison with calculated linear IR absorption spectra supports the assignment of the IRMPD spectrum to C4-protonated AzuH+, the most stable of the six distinguishable C-protonated AzuH+ isomers. Comparison between Azu and C4-AzuH+ reveals the effects of protonation on the geometry, vibrational properties, and the charge distribution of these fundamental aromatic molecules. Calculations at the MP2 level indicate that this technique is not suitable to predict reliable IR spectra for this type of carbocations even for relatively large basis sets. The IRMPD spectrum of protonated azulene is compared to that of isomeric protonated naphthalene and to an astronomical spectrum of the unidentified IR emission bands.

  18. Polycyclic aromatic hydrocarbons in rock oysters: a baseline study.

    PubMed

    Kagi, R; Alexander, R; Cumbers, M

    1985-01-01

    Coral-rock oysters were collected in September 1982 from six locations in the area of Mermaid Sound in North-Western Australia. Analysis was carried out by digestion of the samples, followed by solvent extraction and analysis of the extracts using HPLC-UVF and GC-MS. The levels of two- and three-ring aromatics ranged from very low for the site outside Mermaid Sound and for one site within the Sound, to low for the four other sites within the Sound. The PAH values at the latter four sites are attributed to occasional petroleum release episodes related to small boat activities and large-scale salt and iron ore shipping and general cargo activities of the Port of Dampier. The levels of PAHs with four or more rings were found to be low or very low at all sites; in fact, in most cases values measured for specific PAHs were below the limits of detection of even the very sensitive methods used in this study. Samples from sites within Mermaid Sound closest to the town and port of Dampier showed noticeably higher levels than those from outside; the present study does not allow the source of the PAHs to be determined. It is interesting to note, however, that the parent PAHs appear to form a greater proportion of the total PAH assemblage in these cases, indicating contributions from material which has been subjected to high temperature processing prior to release into the Sound.

  19. Effect of interlayer cations of montmorillonite on the biodegradation and adsorption of crude oil polycyclic aromatic compounds.

    PubMed

    Ugochukwu, Uzochukwu C; Manning, David A C; Fialips, Claire I

    2014-09-01

    Cation exchange capacity, surface acidity and specific surface area are surface properties of clay minerals that make them act as catalysts or supports in most biogeochemical processes hence making them play important roles in environmental control. However, the role of homoionic clay minerals during the biodegradation of polycyclic aromatic compounds is not well reported. In this study, the effect of interlayer cations of montmorillonites in the removal of some crude oil polycyclic aromatic compounds during biodegradation was investigated in aqueous clay/oil microcosm experiments with a hydrocarbon degrading microorganism community. The homoionic montmorillonites were prepared via cation exchange reactions by treating the unmodified montmorillonite with the relevant metallic chloride. The study indicated that potassium-montmorillonite and zinc-montmorillonite did not enhance the biodegradation of the polycyclic aromatic hydrocarbons whereas calcium-montmorillonite, and ferric-montmorillonite enhanced their biodegradation significantly. Adsorption of polycyclic aromatic hydrocarbons was significant during biodegradation with potassium- and zinc-montmorillonite where there was about 45% removal of the polycyclic aromatic compounds by adsorption in the experimental microcosm containing 5:1 ratio (w/w) of clay to oil.

  20. Biotransformation of nitro-polycyclic aromatic compounds by vegetable and fruit cell extracts*

    PubMed Central

    Xie, Bo; Yang, Jun; Yang, Qing

    2012-01-01

    Extracts from various vegetables and fruits were investigated for their abilities to reduce nitro-polycyclic aromatic hydrocarbons (NPAHs). The extracts from grape and onion exhibited an interesting selectivity, yielding corresponding hydroxylamines or amines as major products under mild conditions of 30 °C and pH 7.0. Grape extracts reduced the 4-nitro-1,8-naphthalic anhydride with the highest conversion rate (>99%) and the highest ratio of hydroxylamine to amine (95:5). In contrast, the onion extracts reduced 4-nitro-1,8-naphthalic anhydride with a conversion rate of 94% and a ratio of hydroxylamine to amine of 8:92. The thiol-reducing agent, β-mercaptoethanol, and metal cations, Ca2+ and Mg2+, greatly increased the reductive efficiency. This work provides an alternative strategy for biotransformation of nitro-polycyclic compounds. PMID:22467365

  1. Enzymatic and genetic profiles in environmental strains grown on polycyclic aromatic hydrocarbons.

    PubMed

    Cavalca, Lucia; Guerrieri, Nicoletta; Colombo, Milena; Pagani, Silvia; Andreoni, Vincenza

    2007-05-01

    The possible generation of oxidative stress induced by aromatic hydrocarbon degradation suggests that ancillary enzyme activities could facilitate the utilization of polycyclic aromatic hydrocarbons as sole carbon source. To investigate the metabolic profiles of low molecular weight polycyclic aromatic hydrocarbon-degrading strains of Sphingobium chlorophenolicum, Rhodococcus aetherovorans, Rhodococcus opacus and Mycobacterium smegmatis, the determination of the activity of putative detoxifying enzymes (rhodanese-like and glutathione S-transferase proteins) was combined with genetic analyses. All the studied strains were able to utilize phenanthrene or naphthalene. Glutathione S-transferase activity was found in S. chlorophenolicum strains grown on phenanthrene and it was related to the presence of the bphK gene, since modulation of glutathione S-transferase activity by phenanthrene paralleled the induction of glutathione S-transferase transcript in the S. chlorophenolicum strains. No glutathione S-transferase activity was detectable in R. aetherovorans, R. opacus and in M. smegmatis strains. All strains showed 3-mercaptopyruvate:cyanide sulfurtransferase activity. A rhodanese-like SseA protein was immunodetected in R. aetherovorans, R. opacus and in M. smegmatis strains, where increase of 3-mercaptopyruvate:cyanide sulfurtransferase activity was significantly induced by growth on phenanthrene.

  2. Biodegradation of Various Aromatic Compounds by Enriched Bacterial Cultures: Part A-Monocyclic and Polycyclic Aromatic Hydrocarbons.

    PubMed

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

    2015-08-01

    Present study focused on the screening of bacterial consortium for biodegradation of monocyclic aromatic hydrocarbon (MAH) and polycyclic aromatic hydrocarbons (PAHs). Target compounds in the present study were naphthalene, acenaphthene, phenanthrene (PAHs), and benzene (MAH). Microbial consortia enriched with the above target compounds were used in screening experiments. Naphthalene-enriched consortium was found to be the most efficient consortium, based on its substrate degradation rate and its ability to degrade other aromatic pollutants with significantly high efficiency. Substrate degradation rate with naphthalene-enriched culture followed the order benzene > naphthalene > acenaphthene > phenanthrene. Chryseobacterium and Rhodobacter were discerned as the predominant species in naphthalene-enriched culture. They are closely associated to the type strain Chryseobacterium arthrosphaerae and Rhodobacter maris, respectively. Single substrate biodegradation studies with naphthalene (PAH) and benzene (MAH) were carried out using naphthalene-enriched microbial consortium (NAPH). Phenol and 2-hydroxybenzaldehyde were identified as the predominant intermediates during benzene and naphthalene degradation, respectively. Biodegradation of toluene, ethyl benzene, xylene, phenol, and indole by NAPH was also investigated. Monod inhibition model was able to simulate biodegradation kinetics for benzene, whereas multiple substrate biodegradation model was able to simulate biodegradation kinetics for naphthalene.

  3. Current-voltage characteristics of a homologous series of polycyclic aromatic hydrocarbons.

    PubMed

    Böhme, Thilo; Simpson, Christopher D; Müllen, Klaus; Rabe, Jürgen P

    2007-01-01

    A novel alkyl-substituted polycyclic aromatic hydrocarbon (PAH) with D(2h) symmetry and 78 carbon atoms in the aromatic core (C78) was synthesized, thereby completing a homologous series of soluble PAH compounds with increasing size of the aromatic pi system (42, 60, and 78 carbon atoms). The optical band gaps were determined by UV/Vis and fluorescence spectroscopy in solution. Scanning tunneling microscopy (STM) and spectroscopy (STS) revealed diode-like current versus voltage (I-V) characteristics through individual aromatic cores in monolayers at the interface between the solution and the basal plane of graphite. The asymmetry of the current-voltage (I-V) characteristics increases with the increasing size of the aromatic core, and the concomitantly decreasing HOMO-LUMO gap. This is attributed to resonant tunneling through the HOMO of the adsorbed molecule, and an asymmetric position of the molecular species in the tunnel junction. Consistently, submolecularly resolved STM images at negative substrate bias are in good agreement with the calculated pattern for the electron densities of the HOMOs. The analysis provides the basis for tailoring rectification with a single molecule in an STM junction.

  4. Determination of total and polycyclic aromatic hydrocarbons in aviation jet fuel.

    PubMed

    Bernabei, M; Reda, R; Galiero, R; Bocchinfuso, G

    2003-01-24

    The aviation jet fuel widely used in turbine engine aircraft is manufactured from straight-run kerosene. The combustion quality of jet fuel is largely related to the hydrocarbon composition of the fuel itself; paraffins have better burning properties than aromatic compounds, especially naphthalenes and light polycyclic aromatic hydrocarbons (PAHs), which are characterised as soot and smoke producers. For this reason the burning quality of fuel is generally measured as smoke fermation. This evaluation is carried out with UV spectrophotometric determination of total naphthalene hydrocarbons and a chromatographic analysis to determine the total aromatic compounds. These methods can be considered insufficient to evaluate the human health impact of these compounds due to their inability to measure trace (ppm) amounts of each aromatic hyrcarbon and each PAH in accordance with limitations imposed because of their toxicological properties. In this paper two analytical methods are presented. Both are based on a gas chromatographic technique with a mass detector operating in be selected ion monitoring mode. The first method was able to determine more than 60 aromatic hydrocarbons in a fuel sample in a 35-min chromatographic run, while the second was able to carry out the analysis of more than 30 PAHs in a 40-min chromatographic run. The linearity and sensitivity of the methods in measuring these analytes at trace levels are described.

  5. Biodegradation aspects of polycyclic aromatic hydrocarbons (PAHs): a review.

    PubMed

    Haritash, A K; Kaushik, C P

    2009-09-30

    PAHs are aromatic hydrocarbons with two or more fused benzene rings with natural as well as anthropogenic sources. They are widely distributed environmental contaminants that have detrimental biological effects, toxicity, mutagenecity and carcinogenicity. Due to their ubiquitous occurrence, recalcitrance, bioaccumulation potential and carcinogenic activity, the PAHs have gathered significant environmental concern. Although PAH may undergo adsorption, volatilization, photolysis, and chemical degradation, microbial degradation is the major degradation process. PAH degradation depends on the environmental conditions, number and type of the microorganisms, nature and chemical structure of the chemical compound being degraded. They are biodegraded/biotransformed into less complex metabolites, and through mineralization into inorganic minerals, H(2)O, CO(2) (aerobic) or CH(4) (anaerobic) and rate of biodegradation depends on pH, temperature, oxygen, microbial population, degree of acclimation, accessibility of nutrients, chemical structure of the compound, cellular transport properties, and chemical partitioning in growth medium. A number of bacterial species are known to degrade PAHs and most of them are isolated from contaminated soil or sediments. Pseudomonas aeruginosa, Pseudomons fluoresens, Mycobacterium spp., Haemophilus spp., Rhodococcus spp., Paenibacillus spp. are some of the commonly studied PAH-degrading bacteria. Lignolytic fungi too have the property of PAH degradation. Phanerochaete chrysosporium, Bjerkandera adusta, and Pleurotus ostreatus are the common PAH-degrading fungi. Enzymes involved in the degradation of PAHs are oxygenase, dehydrogenase and lignolytic enzymes. Fungal lignolytic enzymes are lignin peroxidase, laccase, and manganese peroxidase. They are extracellular and catalyze radical formation by oxidation to destabilize bonds in a molecule. The biodegradation of PAHs has been observed under both aerobic and anaerobic conditions and the rate

  6. Magnetic ionic liquids as non-conventional extraction solvents for the determination of polycyclic aromatic hydrocarbons.

    PubMed

    Trujillo-Rodríguez, María J; Nacham, Omprakash; Clark, Kevin D; Pino, Verónica; Anderson, Jared L; Ayala, Juan H; Afonso, Ana M

    2016-08-31

    This work describes the applicability of magnetic ionic liquids (MILs) in the analytical determination of a group of heavy polycyclic aromatic hydrocarbons. Three different MILs, namely, benzyltrioctylammonium bromotrichloroferrate (III) (MIL A), methoxybenzyltrioctylammonium bromotrichloroferrate (III) (MIL B), and 1,12-di(3-benzylbenzimidazolium) dodecane bis[(trifluoromethyl)sulfonyl)]imide bromotrichloroferrate (III) (MIL C), were designed to exhibit hydrophobic properties, and their performance examined in a microextraction method for hydrophobic analytes. The magnet-assisted approach with these MILs was performed in combination with high performance liquid chromatography and fluorescence detection. The study of the extraction performance showed that MIL A was the most suitable solvent for the extraction of polycyclic aromatic hydrocarbons and under optimum conditions the fast extraction step required ∼20 μL of MIL A for 10 mL of aqueous sample, 24 mmol L(-1) NaOH, high ionic strength content of NaCl (25% (w/v)), 500 μL of acetone as dispersive solvent, and 5 min of vortex. The desorption step required the aid of an external magnetic field with a strong NdFeB magnet (the separation requires few seconds), two back-extraction steps for polycyclic aromatic hydrocarbons retained in the MIL droplet with n-hexane, evaporation and reconstitution with acetonitrile. The overall method presented limits of detection down to 5 ng L(-1), relative recoveries ranging from 91.5 to 119%, and inter-day reproducibility values (expressed as relative standard derivation) lower than 16.4% for a spiked level of 0.4 μg L(-1) (n = 9). The method was also applied for the analysis of real samples, including tap water, wastewater, and tea infusion.

  7. Speciation of atmospheric polycyclic aromatic hydrocarbons (PAHs) present during fog time collected submicron particles.

    PubMed

    Singh, Dharmendra Kumar; Sharma, Swati; Habib, Gazala; Gupta, Tarun

    2015-08-01

    Airborne submicron particles (PM1) were collected using PM1 sampler during the fog-dominated days (December 2013-January 2014). PM1 values varied between 58.12 μg/m(3) and 198.75 μg/m(3), and average mass concentration was 162.33 ± 38.25 μg/m(3) while total average concentration of particle-associated polycyclic aromatic hydrocarbon (PAHs) determined was 616.31 ± 30.31 ng/m(3). This is a signal for an alarming high pollution level at this site situated in the Indo-Gangetic Plain (IGP). PAHs were extracted from filters using toluene and acetonitrile. Quantitative measurements of polycyclic aromatic hydrocarbons (PAHs) were carried out using the high performance liquid chromatography (HPLC) technique. The extracts were analyzed for 16 target polycyclic aromatic hydrocarbons (PAHs) including carcinogenic compound benzo(a)pyrene (19.86 ± 38.98 ng/m(3)). Fluoranthene, benzo(a)anthracene, anthracene, and fluorene were the predominant compounds found in the samples collected during foggy days. Based on number of rings, four-ring PAH compounds had maximum contribution (43%) in this fog time collected submicron particles followed by three-ring (21%), five-ring (20%), six-ring (13%), and two-ring (3%), respectively. In winter and foggy days, wood and coal combustion and biomass burning also significantly contribute to the PAH levels. However, diagnostic ratio suggests diesel emissions as the prime source of PAHs at this sampling site.

  8. Spectral studies of polycyclic aromatic hydrocarbon interaction with human blood plasma

    NASA Astrophysics Data System (ADS)

    Melnikov, A. G.; Pravdin, A. B.; Kochubey, V. I.; Melnikov, G. V.

    2006-08-01

    Analysis of fluorescence spectra of polycyclic aromatic hydrocarbons in human blood plasma and human serum albumin solution allowed one to conclude that pyrene and also anthracene are predominantly distributed in the hydrophobic micro-phase of blood plasma proteins. In the solution of human blood plasma containing pyrene the nonmonotonic dependence of both the intensity of pyrene fluorescence and the index of polarity on the concentration of sodium dodecylsulfate added was observed. This should be connected with the reconstruction of the structure of protein globule under the surfactant action and cannot be explained only by the solubilization of pyrene in sodium dodecylsulfate micelles.

  9. THE FAR-INFRARED SPECTROSCOPY OF VERY LARGE NEUTRAL POLYCYCLIC AROMATIC HYDROCARBONS

    SciTech Connect

    Ricca, Alessandra; Bauschlicher, Charles W.; Mattioda, Andrew L.; Boersma, Christiaan; Allamandola, Louis J.

    2010-01-20

    Here we report the computed far-infrared (FIR) spectra of neutral polycyclic aromatic hydrocarbon (PAH) molecules containing at least 82 carbons up to 130 carbons and with shapes going from compact round and oval-type structures to rectangular and to trapezoidal. The effects of size and shape on the FIR band positions and intensities are discussed. Using FIR data from the NASA Ames PAH IR Spectroscopic Database Version 1.1, we generate synthetic spectra that support the suggestion that the 16.4, 17.4, and 17.8 mum bands arise from PAHs.

  10. Measurement of particulate phase polycyclic aromatic hydrocarbon (PAHs) around a petroleum refinery.

    PubMed

    Rao, Padma S; Ansari, M Faiyaz; Pipalatkar, P; Kumar, A; Nema, P; Devotta, S

    2008-02-01

    A study on concentrations of ambient particulates viz. total suspended particulate matters (TSP), respirable suspended particulate matter (RSPM) and polycyclic aromatic hydrocarbons (PAH) were carried out at six sites around the Asia's largest, 12 MMTPA, petroleum refinery in west coast of India. PAH concentrations are correlated with each other in these sites, suggesting that they have related sources and sinks. The present article discusses the monitoring aspects such as sample collection, pretreatment and analytical methods and compares the monitored levels for assessing the source receptor distribution pattern. The main sources of RSPM and PAHs in urban air are automobile exhaust (CPCB, Polycyclic aromatic hydrocarbons (PAHs) in air and their effects on human health. " http://www.cpcb.nic.in/ph/ch21103.htm ", 2003; Manuel et al., Environmental Science and Technology, 13: 227-231, 2004) and industrial emissions like petroleum refinery (Vo-Dinh, Chemical analysis of polycyclic aromatic hydrocarbons, Wiley: New York, 1989; Wagrowaski and Hites, Environmental Science and Technology, 31: 279-282, 1997). Polycyclic aromatic hydrocarbons (PAH) are ubiquitous constituents of urban airborne particulate mostly generated by anthropogenic activities (Li et al., Environmental Science and Technology, 37:1958-2965, 2003; Thorsen et al., Environmental Science and Technology, 38: 2029-2037, 2004; Ohura et al., Environmental Science and Technology, 32: 450-455, 2004) and some of them are of major health concern mainly due to their well-known carcinogenic and mutagenic properties (Soclo et al., Marine Pollution Bulletin, 40: 387-396, 2000; Chen et al., Environment International, 28: 659-668, 2003; Larsen and Baker, Environmental Science and Technology, 32: 450-455, 2003). Limited information is available on PAHs contributions from refineries to ambient air. Hence this study would not only create a database but also provide necessary inputs towards dose-response relationship for

  11. Contamination of soils in the urbanized areas of Belarus with polycyclic aromatic hydrocarbons

    NASA Astrophysics Data System (ADS)

    Kukharchyk, T. I.; Khomich, V. S.; Kakareka, S. V.; Kurman, P. V.; Kozyrenko, M. I.

    2013-02-01

    The content of polycyclic aromatic hydrocarbons (PAHs) in the soils of urbanized areas, including the impact zones of Belarus, were studied. The concentrations of 16 PAHs in the soils were determined for individual and high-rise building zones, forests, and forest parks of Belarus. The levels of the PAH accumulation in the soils of different industrial enterprises and boiler stations were analyzed. Possible sources of soil contamination with PAHs were considered, and the structure of the PAHs in the soils was shown. The levels of the soil contamination were determined from the regulated parameters for individual compounds and the sum of 16 PAHs.

  12. Characterization and source apportionment of polycyclic aromatic hydrocarbons (PAHs) in Sediments from the Bohai Sea, China

    NASA Astrophysics Data System (ADS)

    Liu, Jihua; Hu, Ningjing; Shi, Xuefa

    2015-04-01

    Characterization and source apportionment of polycyclic aromatic hydrocarbons (PAHs) in Sediments from the Bohai Sea, China Liu Jihua, Hu Ningjing, Shi Xuefa First Institute of Oceanography, State Oceanic Administration, Qingdao 266061, China Polycyclic aromatic hydrocarbons (PAHs) are a class of ubiquitous organic contaminants in the environment. Indeed, 16 PAH compounds have been listed as priority pollutants by the United States Environmental Protection Agency and the European Union because of their potential toxicity to humans and ecosystems. As POPs are released or escape into the environment, their global accumulation in marine sediments generates a complex balance between inputs and outputs. Furthermore, PAHs in coastal sediments can serve as effective tracers of materials transport from land-to-sea (Fang et al., 2009). Hence, investigations of PAHs in sediments can provide useful information for further understanding of environmental processes and material transport. In this study, sixteen polycyclic aromatic hydrocarbons (PAHs) were extracted from a total of 112 surface sediment samples collected across the entire territory of the Bohai Sea. The detectable concentrations of PAHs ranged from 97.2 to 300.7 ng/g across all samples, indicating low contamination levels of PAHs compared with reported values for other coastal sediments in China and developed countries. The highest concentrations were found within three belts in the vicinity of Luan River Estuary-Qinhuangdao Harbor, the Cao River Estuary-Bohai Sea Center, and north of the Yellow River Estuary. The distribution patterns of PAHs and source identification implied that PAH contamination in the Bohai Sea mainly originates from offshore oil exploration, sewage discharge from rivers and shipping activities. Further Principal components analysis (PCA)/multivariate linear regression (MLR) analysis suggested that the contributions of spilled oil products (petrogenic), coal combustion and traffic

  13. Biotransformation of polycyclic aromatic hydrocarbons by yeasts isolated from coastal sediments

    SciTech Connect

    MacGillivray, A.R.; Shiaris, M.P. )

    1993-05-01

    The environmental significance of fungal transformation of polycyclic aromatic hydrocarbons (PAHs) is of increasing interest. Filamentous fungi and yeast are common in marine environments. However, PAH-degrading marine yeast isolates have not been evaluated for their ability to oxidize PAHs in the presence of alternative carbon sources, though this may be significant in marine environments. In this study phenanthrene and benz[a]anthracese were used as model PAH compounds. The investigation quantified the presence of yeasts in coastal sediments and evaluated their potential to biodegrade PAHs. 50 refs., 4 tabs.

  14. Detection of Medium-Sized Polycyclic Aromatic Hydrocarbons via Fluorescence Energy Transfer

    PubMed Central

    Serio, Nicole; Prignano, Lindsey; Peters, Sean; Levine, Mindy

    2015-01-01

    Reported herein is the use of proximity-induced non-covalent energy transfer for the detection of medium-sized polycyclic aromatic hydrocarbons (PAHs). This energy transfer occurs within the cavity of γ-cyclodextrin in various aqueous environments, including human plasma and coconut water. Highly efficient energy transfer was observed, and the efficiency of the energy transfer is independent of the concentration of γ-cyclodextrin used, demonstrating the importance of hydrophobic binding in facilitating such energy transfer. Low limits of detection were also observed for many of the PAHs investigated, which is promising for the development of fluorescence-based detection schemes. PMID:25821390

  15. Characteristics of wintertime polycyclic aromatic hydrocarbon assemblage in aerosol of the Southern Adriatic

    NASA Astrophysics Data System (ADS)

    Jovanović, V. Ž.; Pfendt, P. A.; Filipović, A. J.

    2007-09-01

    Features of polycyclic aromatic hydrocarbon (PAH) assemblage in aerosol samples collected from the atmosphere of Herceg Novi during the winter months of two successive years were studied. The results showed almost the same concentration profiles of identified PAHs for samples from the two periods analyzed, generally suggesting a similar origin. Diagnostic ratios indicated combustion of wood and coal, emissions from petrol and diesel engines, and dust resuspension as sources that predominantly contributed to the atmospheric PAH concentrations. Statistical analysis, principal component analysis (PCA) in particular, allowed us to identify the impact of meteorological parameters on PAH abundance.

  16. Assessment of polycyclic aromatic hydrocarbon input to urban wetlands in relation to adjacent land use.

    PubMed

    Kimbrough, K L; Dickhut, R M

    2006-11-01

    The relationship between polycyclic aromatic hydrocarbons (PAHs) in wetland surface sediments and adjacent land use was assessed in the Elizabeth River, VA, an urbanized sub-estuary of the Chesapeake Bay. Significant differences (p<0.05) in surface sediment PAH concentration between sites indicated adjacent land use had a substantial influence on PAH concentration in wetland sediments. Wetlands adjacent to parking lots and petroleum industrial sites exhibited the highest PAH concentrations of all wetlands examined. Overall, commercial land uses had the highest PAH concentrations and automotive sources dominated (52-69%) PAH input to wetland surface sediments irrespective of adjacent land use.

  17. Modeling the charge transfer between alkali metals and polycyclic aromatic hydrocarbons using electronic structure methods.

    PubMed

    Baker, Thomas A; Head-Gordon, Martin

    2010-09-23

    The interaction of alkali metals-specifically, lithium-with polycyclic aromatic hydrocarbons (PAHs) was studied using a variety of electronic structure methods. Electron transfer from lithium to a PAH depends on the size and structure of the PAH and the electronic structure method used. In some cases, we observe an artificial transfer when using density functional theory (DFT) due to the self-interaction error, whereas Hartree-Fock underestimates the amount of charge transfer due to overlocalization. Our results have interesting implications for the validity of DFT calculations on the alkali metal-PAH interaction in Li batteries, hydrogen storage devices, and alkali-metal-doped superconductors.

  18. A comparative study on the recovery of polycyclic aromatic hydrocarbons from fly ash and lignite coal.

    PubMed

    Arditsoglou, Anastasia; Terzi, Eleni; Kalaitzoglou, Maria; Samara, Constantini

    2003-01-01

    The recovery of polycyclic aromatic hydrocarbons (PAHs) from lignite coal burnt in Greek power stations and the fly ash produced is examined comparatively using Soxhlet, ultrasonic and accelerated solvent extraction procedures with various organic solvents. Soxhlet using toluene/methanol mixture and accelerated solvent extraction/toluene were found to be the most efficient methods for fly ash PAHs, yielding average recoveries of about 80%. The accelerated solvent extraction/toluene procedure was superior for lignite PAHs, yielding 96% average recovery, whereas ultrasonic and Soxhlet extraction yielded relatively lower recoveries (75% and 67%, respectively).

  19. Theoretical and experimental study of polycyclic aromatic compounds as β-tubulin inhibitors.

    PubMed

    Olazarán, Fabian E; García-Pérez, Carlos A; Bandyopadhyay, Debasish; Balderas-Rentería, Isaias; Reyes-Figueroa, Angel D; Henschke, Lars; Rivera, Gildardo

    2017-03-01

    In this work, through a docking analysis of compounds from the ZINC chemical library on human β-tubulin using high performance computer cluster, we report new polycyclic aromatic compounds that bind with high energy on the colchicine binding site of β-tubulin, suggesting three new key amino acids. However, molecular dynamic analysis showed low stability in the interaction between ligand and receptor. Results were confirmed experimentally in in vitro and in vivo models that suggest that molecular dynamics simulation is the best option to find new potential β-tubulin inhibitors. Graphical abstract Bennett's acceptance ratio (BAR) method.

  20. Phase distribution of PAH (polycyclic aromatic hydrocarbons) in Great Lakes waters and sediments

    SciTech Connect

    Eadie, B.J.; Faust, W.; Morehead, N.; Robbins, J. )

    1990-01-01

    Freshly collected Great Lakes waters were innoculated with radiolabelled polycyclic aromatic hydrocarbons (PAH) and, after equilibration, separated into particle bound, dissolved organic matter bound and freely dissolved phases. Solubility controls the constituent distribution between particle bound and freely dissolved but plays a much smaller role in mediating the binding to dissolved organic matter. The results of these experiments yield the same equilibrium particle distribution coefficients (Kd) as those using freshly collected sediment trap material as the substrate. The results for field measurement of sediment Kds in a core from Lake Erie and surface sediments from several lakes are generally significantly lower.

  1. Interstellar polycyclic aromatic hydrocarbons and carbon in interplanetary dust particles and meteorites

    NASA Astrophysics Data System (ADS)

    Allamandola, L. J.; Sandford, S. A.; Wopenka, B.

    1987-07-01

    Raman spectra of interplanetary dust particles (IDPs) and meteorites containing material similar to polycyclic aromatic hydrocarbons (PAHs) show features that are similar in position and relative strength to interstellar IR emission features attributable to vibrational transitions in free molecular-sized PAHs. In addition, these spectra sometimes show red photoluminescence that has elsewhere been attributed to PAHs, and a part of the carbonaceous phase in IDPs and meteorites contain a degree of deuterium enrichment anticipated in small, free PAHs that are exposed to ISM UV radiation. These observations suggest that some of the IDPs' carbonaceous material may have been produced in circumstellar dust shells, and only slightly modified in interstellar space.

  2. Air pollution from a large steel factory: polycyclic aromatic hydrocarbon emissions from coke-oven batteries.

    PubMed

    Liberti, Lorenzo; Notarnicola, Michele; Primerano, Roberto; Zannetti, Paolo

    2006-03-01

    A systematic investigation of solid and gaseous atmospheric emissions from some coke-oven batteries of one of Europe's largest integrated steel factory (Taranto, Italy) has been carried out. In air monitoring samples, polycyclic aromatic hydrocarbons (PAHs) were consistently detected at concentrations largely exceeding threshold limit values. By means of PAHs speciation profile and benzo(a)pyrene (BaP) equivalent dispersion modeling from diffuse sources, the study indicated that serious health risks exist not only in working areas, but also in a densely populated residential district near the factory.

  3. Source apportionment of atmospheric aliphatic and polycyclic aromatic hydrocarbons using compound-specific radiocarbon analysis

    NASA Astrophysics Data System (ADS)

    Gustafsson, Ö.; Mandalakis, M.; Zencak, Z.; Sheesley, R.; Kruså, M.

    2009-04-01

    Recent development in compound-specific radiocarbon analysis (CSRA) now allows application of this analytical dimension toward source apportionment of natural and anthropogenic compounds in the atmosphere. CSRA studies of semi-volatile n-alkanes and polycyclic aromatic hydrocarbons (PAHs) in air collected at various locations throughout Europe combine to reveal both inter-compound, inter-regional and inter-seasonal variations in sources. For instance, modern biogenic sources contribute a significant portion (frequently up to 50%) of the atmospheric load of priority pollutant PAHs and long-chained n-alkanes, suggesting that such sources should be scrutinized for effective reduction.

  4. A new emission feature in IRAS spectra and the polycyclic aromatic hydrocarbon spectrum

    NASA Technical Reports Server (NTRS)

    Cohen, M.; Tielens, A. G. G. M.; Allamandola, L. J.

    1985-01-01

    IRAS spectra of those sources which show strong 7.7 and 11.3 micron emission features also show a plateau of emission extending from 11.3 to about 13.0 microns. Like the 11.3 micron feature, this new feature is attributed to the CH out-of-plane bending mode in polycyclic aromatic hydrocarbons (PAHs). Its discovery reinforces the identification of the 'unidentified infrared emission features' as emission from PAHs. The wavelength of this new feature suggests that interstellar PAHs are not as partially hydrogenated as hitherto thought. It also constrains their molecular structure.

  5. Emission of polycyclic aromatic hydrocarbons from light-duty diesel vehicles exhaust

    NASA Astrophysics Data System (ADS)

    de Abrantes, Rui; de Assunção, João V.; Pesquero, Célia R.

    Standardised tests were performed on four light-duty diesel vehicles running in a chassis dynamometer at a vehicular emission laboratory, using the FTP-75 test cycle procedure. The aim was to characterise emissions of Polycyclic Aromatic Hydrocarbons (PAHs), substances that create health hazards and are, as yet, unregulated. The pollutants were analysed in both solid and gaseous phases using high-performance liquid chromatography. Total PAH values ranged from 1.133 to 5.801 mg km -1. Naphthalene, phenanthrene, fluoranthene, pyrene and chrysene were detected in all tests. In addition, PAH emission was observed to be inversely related to emission of CO 2.

  6. Polycyclic aromatic hydrocarbons in smoke particles from wood and duff burning

    NASA Astrophysics Data System (ADS)

    Tan, Yulin L.; Quanci, John F.; Borys, Randolf D.; Quanci, Martin J.

    Smoke particles from wood burning and duff burning were analysed for polycyclic aromatic hydrocarbons (PAH) by gas chromatography/mass spectrometry. PAH composition in smoke particles from wood burning was found to resemble those from other environmental samples, such as air particles and sediments where parental PAH are the predominant species. A catalytic combustor retrofitted on the wood-burning stove reduced the PAH concentrations significantly. The reduction was more pronounced for parental PAH than their alkylated homologs. Probably, the molecular configuration affects the catalytic efficiency. Smoke particles from duff burning contained a strikingly different PAH composition, with phenanthrene, alkylated phenanthrenes, alkylated cycolopenta( def)phenanthrene and dodecahydrochrysene as the predominant species.

  7. Polycyclic aromatic hydrocarbons study in Taichung, Taiwan, during 2002-2003

    NASA Astrophysics Data System (ADS)

    Fang, Guor-Cheng; Wu, Yuh-Shen; Chen, Ming-Hsiang; Ho, Tse-Tsung; Huang, Shih-Han; Rau, Jui-Yeh

    The concentrations of ambient air polycyclic aromatic hydrocarbons were measured simultaneously from August 2002 to July 2003 in an industrial area (Taichung Industrial Park) and a suburban area (Tunghai University) in central Taiwan. Particle-bound PAH were collected on quartz filters and gas-phase PAH on glass cartridges using polyurethane foam sampler. Both types of samples used soxhlet analytical method and were subjected to gas chromatography-mass spectrometric analysis. Diagnostic ratios and principal component analysis were also used to characterize and identify PAH emission source in this study.

  8. Influence of peanut oil on microbial degradation of polycyclic aromatic hydrocarbons.

    PubMed

    Pannu, Jasvir K; Singh, Ajay; Ward, Owen P

    2003-08-01

    Peanut oil amendment (0.1%-0.2% (v/v)) increased the biodegradation of various polycyclic aromatic hydrocarbons (PAHs) by 15%-80% with a mixed bacterial culture and a pure culture of Comamonas testosteroni in aqueous media and in PAH-contaminated weathered soil slurry systems. The stimulatory effect on biodegradation was more pronounced with the high molecular weight PAHs (e.g., >3 rings). The presence of peanut oil also accelerated the biodegradation of PAHs sorbed onto activated carbon, indicating its potential application in the bioregeneration of activated carbon.

  9. Interrelationship of Pyrogenic Polycyclic Aromatic Hydrocarbon (PAH) Contamination in Different Environmental Media

    PubMed Central

    Kim, Seung-Kyu; Lee, Dong Soo; Shim, Won Joon; Yim, Un Hyuk; Shin, Yong-Seung

    2009-01-01

    Interrelationships between pyrogenic polycyclic aromatic hydrocarbons (PAHs) were assessed in air, soil, water, sediment, and tree leaves by using multi-media monitoring data. Concurrent concentration measurements were taken bimonthly for a year for the multi-media at urban and suburban sites. PAH level correlations between air and other media were observed at the urban site but were less clear at the suburban site. Considering a closer PAHs distribution/fate characteristics to soil than suspended solids, contamination in sediment seemed to be governed primarily by that in soil. The partitioning of PAHs in waters could be better accounted for by sorption onto black carbon and dissolved organic carbon. PMID:22303141

  10. Evidence that Polycyclic Aromatic Hydrocarbons in Two Carbonaceous Chondrites Predate Parent-Body Formation

    NASA Technical Reports Server (NTRS)

    Plows, F. L.; Elsila, J. E.; Zare, R. N.; Buseck, P. R.

    2003-01-01

    Organic material in meteorites provides insight into the cosmochemistry of the early solar system. The distribution of polycyclic aromatic hydrocarbons (PAHs) in the Allende and Murchison carbonaceous chondrites was investigated using spatially resolved microprobe laser-desorption laser-ionization mass spectrometry. Sharp chemical gradients of PAHs are associated with specific meteorite features. The ratios of various PAH intensities relative to the smallest PAH, naphthalene, are nearly constant across the sample. These findings suggest a common origin for PAHs dating prior to or contemporary with the formation of the parent body, consistent with proposed interstellar formation mechanisms.

  11. Evidence that Polycyclic Aromatic Hydrocarbons in Two Carbonaceous Chondrites Predate Parent-Body Formation

    NASA Technical Reports Server (NTRS)

    Plows, F. L.; Elsila, J. E.; Zare, R. N.; Buseck, P. R.

    2003-01-01

    Organic material in meteorites provides insight into the cosmochemistry of the early solar system. The distribution of polycyclic aromatic hydrocarbons (PAHs) in the Allende and Murchison carbonaceous chondrites was investigated using spatially resolved microprobe laser-desorption laser-ionization mass spectrometry. Sharp chemical gradients of PAHs are associated with specific meteorite features. The ratios of various PAH intensities relative to the smallest PAH, naphthalene, are nearly constant across the sample. These findings suggest a common origin for PAHs dating prior to or contemporary with the formation of the parent body, consistent with proposed interstellar formation mechanisms.

  12. First detection of an ultraviolet transition in an ionized polycyclic aromatic hydrocarbon

    NASA Astrophysics Data System (ADS)

    Chillier, Xavier D. F.; Stone, Bradley M.; Salama, Farid; Allamandola, Louis J.

    1999-07-01

    We report the first measurement of a polycyclic aromatic hydrocarbon cation electronic transition in the ultraviolet spectral region. The UV excitation spectrum of the Dn-XD0 transition of the perylene cation (C20H12+) isolated in an argon matrix was pumped with tunable, coherent radiation and monitored using the vibronic bands of the D1(2B3g)→(2Au)D0 system. The two component band peaks at 244 and 250.2 nm, close to the S2(1B3u)←(1Ag)S0 transition in neutral perylene.

  13. Qsars for photoinduced toxicity: 1. acute lethality of polycyclic aromatic hydrocarbons to daphnia magna'

    SciTech Connect

    Mekenyan, O.G.; Ankley, G.T.; Veith, G.D.; Call, D.J.

    1994-01-01

    Research with a variety of aquatic species has shown that while polycyclic aromatic hydrocarbons (PAHs) are generally not acutely toxic in conventional laboratory tests, many are extremely toxic in the presence of sunlight. In an effort to develop a model for predicting which PAHs may exhibit photo-induced toxicity, Newsted and Giesy (1987) reported a parabolic relationship between the toxicity and the energy of the triplet state of a variety of PAHs. The authors have reexamined these data and propose a more mechanistic explanation for the prediction of photo-induced PAH toxicity. They sought a molecular descriptor which could be computed from structure rather than measured empirically.

  14. Genotoxicity of nitrated polycyclic aromatic hydrocarbons and related structures on Escherichia coli PQ37 (SOS chromotest)

    SciTech Connect

    Mersch-Sundermann, V.; Kern, S.; Wintermann, F. )

    1991-01-01

    To determine the genotoxicity of nitrated polycyclic aromatic hydrocarbons and related molecules (nPAH) the authors examined 24 compounds representative of nitroanthracenes, nitrofluorenes, nitronaphthalenes, nitropyrenes, and nitroquinolines for genotoxicity in Escherichia coli PQ37 (SOS-chromotest). To enhance the sensitivity of the tester strain and optimize metabolic activation they used a modified test protocol and S9-mix composition. As expected from previously referred mutagenicity studies, the highest SOS inducing potencies (SOSIP) were exhibited by the dinitropyrenes, 4-nitroquinoline-N-oxide, and 3-nitrofluoranthese. The results were compared to those reported for the bacterial mutagenicity of these substances in Salmonella typhimurium TA98.

  15. THE EFFECT OF ROUTE OF ADMINISTRATION OF POLYCYCLIC AROMATIC HYDROCARBONS ON DNA ADDUCTION AND CYTOGENETIC DAMAGE IN PERIPHERAL BLOOD LYMPHOCYTES OF MICE AND RATS

    EPA Science Inventory

    The effect of route of administration of polycyclic aromatic hydrocarbons on DNA adduction and cytogenetic damage in peripheral blood lymphocytes of mice and rats

    Experiments were designed to investigate how the route of exposure to polycyclic
    aromatic hydrocarbons (PA...

  16. THE EFFECT OF ROUTE OF ADMINISTRATION OF POLYCYCLIC AROMATIC HYDROCARBONS ON DNA ADDUCTION AND CYTOGENETIC DAMAGE IN PERIPHERAL BLOOD LYMPHOCYTES OF MICE AND RATS

    EPA Science Inventory

    The effect of route of administration of polycyclic aromatic hydrocarbons on DNA adduction and cytogenetic damage in peripheral blood lymphocytes of mice and rats

    Experiments were designed to investigate how the route of exposure to polycyclic
    aromatic hydrocarbons (PA...

  17. Use of constant wavelength synchronous spectrofluorimetry for identification of polycyclic aromatic hydrocarbons in air particulate samples

    NASA Astrophysics Data System (ADS)

    Sharma, Homdutt; Jain, V. K.; Khan, Zahid H.

    2013-05-01

    We have developed a simple, rapid, inexpensive method for the identification of fluoranthene (Flan), benz(a)anthracene (BaA), benzo(a)pyrene (BaP), benzo(k)fluoranthene (BkF), pyrene (Pyr), benz(ghi)perylene (BghiP) in suspended particulate matter in an urban environment of Delhi. Suspended particulate matter samples of 24 h duration were collected on glass fiber filter papers. Polycyclic aromatic hydrocarbons (PAHs) were extracted from the filter papers using dichloromethane (DCM) and hexane with ultrasonication method. Comparison of the characteristic emission of spectra of PAHs with standard spectra indicated the degree of condensation of aromatic compounds present in investigated mixtures. It was also possible to identify some individual compounds. However, this identification could be more effective with the use of the respective values of Δλ parameter for each particular component of the mixture.

  18. Natural mediators in the oxidation of polycyclic aromatic hydrocarbons by laccase mediator systems

    SciTech Connect

    Johannes, C.; Majcherczyk, A.

    2000-02-01

    The oxidation of polycyclic aromatic compounds was studied in systems consisting of laccase from Trametes versicolor and so-called mediator compounds. The enzymatic oxidation of acenaphthene, acenaphthylene, anthracene, and fluorene was mediated by various laccase substrates (phenols and aromatic amines) or compounds produced and secreted by white rot fungi. The best natural mediators, such as phenol, aniline, 4-hydroxybenzoic acid, and 4-hydroxybenzyl alcohol were as efficient as the previously described synthetic compounds ABTS [2,2{prime}-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid)] and 1-hydroxybenzotriazole. The oxidation efficiency increased proportionally with the redox potentials of the phenolic mediators up to a maximum value of 0.9 V and decreased thereafter with redox potentials exceeding this value. Natural compounds such as methionine, cysteine, and reduced glutathione, containing sulfhydryl groups, were also active as mediator compounds.

  19. Carbon-13 Chemical-Shift Tensors in Polycyclic Aromatic Compounds: Fluoranthene and Decacyclene

    SciTech Connect

    Barich, Dewey H.; Hu, Jian Zhi; Pugmire, Ronald J.; Grant, David M.

    2002-06-18

    The measurement of 13C chemical-shift tensors (CSTs) of polycyclic aromatic hydrocarbons (PAHs) has received considerable attention in recent years.1-7 Challenges to measuring CSTs in aromatic microcrystalline powders include spectral complexity due to the spinning sideband patterns, the relatively close isotropic chemical shifts of the various carbons in the molecule (typically 120-140 ppm), and coincidental overlap of equivalent molecular positions in crystallographically inequivalent sites. Spectral complexity is reduced in this work by application of the FIREMAT experiment, a two-dimensional (2D) magic angle turning (MAT) experiment that isolates individual sideband patterns associated with different isotropic chemical shifts.8 Recent advances in such methods have made possible the isolation of several dozen sideband patterns from a composite spectrum.

  20. Determination of thiaarenes and polycyclic aromatic hydrocarbons in workplace air of an aluminum reduction plant

    SciTech Connect

    Becker, G.; Colmsjoe, A.; Oestman, C.

    1999-05-01

    Quantitation of a variety of tetra-, penta-, and hexacyclic aromatic sulfur heterocycles (thiaarenes) in workplace air of an aluminum reduction plant has been made by help of gas chromatography with atomic emission detection (GC-AED). Personal exposure to those thiaarenes and to polycyclic aromatic hydrocarbons depending on work categories has been evaluated. Summarized concentrations of the thiaarenes investigated have been found to be 0.4--19.0 {micro}g/m{sup 3}. When using sulfur selective AED, samples could be analyzed without a prior separation of the thiaarenes from the PAH. The present data indicate a contribution of thiaarenes to the overall toxicity of coal tar pitch volatiles in this work environment.

  1. Sorption of polycyclic aromatic hydrocarbons (PAHs) to lignin: effects of hydrophobicity and temperature.

    PubMed

    Zhang, Ming; Ahmad, Mahtab; Lee, Sang Soo; Xu, Li Heng; Ok, Yong Sik

    2014-07-01

    The study of the sorption of contaminants to lignin is significant for understanding the migration of contaminants in the environment as well as developing low cost sorbent. In this study, sorption of three polycyclic aromatic hydrocarbons (PAHs), naphthalene, acenaphthene and phenanthrene, to lignin was investigated. Sorption isotherms were well described by both linear and Freundlich sorption models. Sorption coefficients of PAHs to lignin from water obtained from regression of both linear model (K d) and Freundlich model (K f) were highly positively correlated with hydrophobicity of PAHs. The amorphous structure of lignin provided sufficient sorption domain for partitioning of PAHs, and the attraction between PAHs molecules and aromatic fractions in lignin via π-π electron-donor-acceptor (π-π EDA) interaction is hypothesized to provide a strong sorption force. Thermodynamic modeling revealed that sorption of PAHs to lignin was a spontaneous and exothermic process.

  2. Promising approaches towards biotransformation of polycyclic aromatic hydrocarbons with Ascomycota fungi.

    PubMed

    Aranda, Elisabet

    2016-04-01

    The bioremediation of hazardous aromatic pollutants such as polycyclic aromatic hydrocarbons (PAHs) has been extensively studied in recent decades, including the potential use of different phyla of fungi for this purpose. Molecular technologies are starting to reveal that the real players in polluted environments are mainly represented by the phylum Ascomycota and the subphylum Mucoromycotina and, to a lesser extent, the phylum Basidiomycota. Paradoxically, despite their key involvement, these groups of fungi are often treated as a black box, and their potential roles in the transformation of xenobiotics and catabolic pathways remain poorly understood. The complex intracellular metabolism seems to play a major role in the ability of these fungi to transform or remove PAHs, and their associated enzymes are encoded in the xenome. Functional genomics offers novel information about this enzymatic system, which is widely distributed among all phyla.

  3. POLYCYCLIC AROMATIC HYDROCARBONS WITH ARMCHAIR EDGES AND THE 12.7 μm BAND

    SciTech Connect

    Candian, A.; Tielens, A. G. G. M.; Sarre, P. J.

    2014-08-10

    In this Letter, we report the results of density functional theory calculations on medium-sized neutral polycyclic aromatic hydrocarbon (PAH) molecules with armchair edges. These PAH molecules possess strong C-H stretching and bending modes around 3 μm and in the fingerprint region (10-15 μm), and also strong ring deformation modes around 12.7 μm. Perusal of the entries in the NASA Ames PAHs Database shows that ring deformation modes of PAHs are common, although generally weak. Therefore, we propose that armchair PAHs with N{sub C} > 65 are responsible for the 12.7 μm aromatic infrared band in H II regions and discuss the astrophysical implications in the context of the PAH life cycle.

  4. Reflectance spectroscopy (350-2500 nm) of solid-state polycyclic aromatic hydrocarbons (PAHs)

    NASA Astrophysics Data System (ADS)

    Izawa, M. R. M.; Applin, D. M.; Norman, L.; Cloutis, E. A.

    2014-07-01

    Polycyclic aromatic hydrocarbons (PAHs) are organic compounds based on fused aromatic rings, and are formed in a variety of astrophysical, solar nebula and planetary processes. Polycyclic aromatic hydrocarbons are known or suspected to occur in a wide variety of planetary settings including icy satellites, Titan’s hazes, carbonaceous meteorites, comet nuclei, ring particles; and terrestrial organic-rich lithologies such as coals, asphaltites, and bituminous sands. Relatively few measurements of the visible and near-infrared spectra of PAHs exist, yet this wavelength region (350-2500 nm) is widely used for remote sensing. This study presents detailed analyses of the 350-2500 nm reflectance spectra of 47 fine-grained powders of different high-purity solid-state PAHs. Spectral properties of PAHs change with variations in the number and connectivity of linked aromatic rings and the presence and type of side-groups and heterocycles. PAH spectra are characterized by three strong features near ∼880 nm, ∼1145 nm, and ∼1687 nm due to overtones of νCH fundamental stretching vibrations. Some PAHs are amenable to remote detection due to the presence of diagnostic spectral features, including: Nsbnd H stretching overtones at 1490-1515 nm in NH- and NH2-bearing PAHs, aliphatic or saturated bond Csbnd H overtone vibrations at ∼1180-1280 nm and ∼1700-1860 nm; a broad asymmetric feature between ∼1450 nm and ∼1900 nm due to Osbnd H stretching overtones in aromatic alcohols, Csbnd H and Cdbnd O combinations near ∼2000-2010 nm and ∼2060-2270 nm in acetyl and carboxyl-bearing PAHs. Other substituents such as sulphonyl, thioether ether and carboxyl heterocycles, or cyano, nitrate, and aromatic side groups, do not produce well-resolved diagnostic spectral features but do cause shifts in the positions of the aromatic Csbnd H vibrational overtone features. Fluorescence is commonly suppressed by the presence of heterocycles, side-groups and in many non-alternant PAHs

  5. Analysis of the impregnation of ZnO:Mn2+ nanoparticles on cigarette filters for trapping polycyclic aromatic hydrocarbons (PAHs)

    NASA Astrophysics Data System (ADS)

    Estrada-Izquierdo, Irma; Sánchez-Espindola, Esther; Uribe-Hernández, Raúl; Ramón-Gallegos, Eva

    2012-10-01

    Each cigarette can generate 1149 ng of a mixture of 14 polycyclic aromatic hydrocarbons, of which there are a lot of information about its harmful effects on the environment and human health, they are considered mutagenic, teratogenic and carcinogenic. In this paper we tested ZnO:Mn2+ nanoparticles, attached to the filters of cigarettes. The first results showed that the filtration system was able to catch the Benzo(a)pyrene contained in cigarette smoke; but more tests are needed to quantify the efficiency with greater accuracy over other polycyclic aromatic hydrocarbons.

  6. Single-molecule nanosized polycyclic aromatics with alternant five- and six-membered rings: synthesis and optical properties.

    PubMed

    Zhang, Wei; Cao, Xiao-Yu; Zi, Hong; Pei, Jian

    2005-03-17

    [structure: see text] A synthetic protocol for a novel family of symmetric polycyclic aromatics with a benzene or cyclooctatetraene (COT) ring as the core and alternant fused benzene and cyclopentadiene rings as branches has been developed. The TiCl(4)-promoted cyclizations construct both planar trimers and tubelike tetramers via the "in situ" generation of the benzene or COT skeleton. The structures of 6b, 7a, 7b, and 10 have been characterized by (1)H and (13)C NMR spectra and MALDI-TOF mass spectroscopy. These polycyclic aromatics also exhibit interesting optical properties.

  7. Actions of a versatile fluorene-degrading bacterial isolate on polycyclic aromatic compounds.

    PubMed Central

    Grifoll, M; Selifonov, S A; Gatlin, C V; Chapman, P J

    1995-01-01

    Pseudomonas cepacia F297 grew with fluorene as a sole source of carbon and energy; its growth yield corresponded to an assimilation of about 40% of fluorene carbon. The accumulation of a ring meta-cleavage product during growth and the identification of 1-indanone in growth media and washed-cell suspensions suggest that strain F297 metabolizes fluorene by mechanisms analogous to those of naphthalene degradation. In addition to fluorene, strain F297 utilized for growth a wide variety of polycyclic aromatic compounds (PACs), including naphthalene, 2,3-dimethylnaphthalene, phenanthrene, anthracene, and dibenzothiophene. Fluorene-induced cells of the strain also transformed 2,6-dimethylnaphthalene, biphenyl, dibenzofuran, acenaphthene, and acenaphthylene. The identification of products formed from those substrates (by gas chromatography-mass spectrometry) in washed-cell suspensions indicates that P. cepacia F297 carries out the following reactions: (i) aromatic ring oxidation and cleavage, apparently using the pyruvate released for growth, (ii) methyl group oxidations, (iii) methylenic oxidations, and (iv) S oxidations of aromatic sulfur heterocycles. Strain F297 grew with a creosote-PAC mixture, producing an almost complete removal of all aromatic compounds containing 2 to 3 rings in 14 days, as demonstrated by gas chromatography analysis of the remaining PACs recovered from cultures. The identification of key chemicals confirmed that not only are certain compounds depleted but also the anticipated reaction products are found. PMID:7487007

  8. Actions of a versatile fluorene-degrading bacterial isolate on polycyclic aromatic compounds

    SciTech Connect

    Grifoll, M.; Selifonov, S.A.; Gatlin, C.V.; Chapman, P.J.

    1995-10-01

    Pseudomonas cepacia F297 grew with fluorene as a sole source of carbon and energy; its growth yield corresponded to an assimilation of about 40% of fluorene carbon. The accumulation of a ring meta-cleavage product during growth and the identification of 1-indanone in growth media and washed-cell suspensions suggest that strain F297 metabolizes fluorene by mechanisms analogous to those of naphthalene degradation. In addition to fluorene, strain F297 utilized for growth a wide variety of polycyclic aromatic compounds (PACs), including naphthalene, 2,3-dimethylnaphthalene, phenanthrene, anthracene, and dibenzothiophene. Fluorene-induced cells of the strain also transformed 2,6-dimethylnaphthalene, biphenyl, dibenzofuran, acenaphthene, and acenaphthlene. The identification of products formed from those substrates (by gas chromatography-mass spectrometry) in washed-cell suspensions indicates that P. cepacia F297 carries out the following reactions: (1) aromatic ring oxidation and cleavage, apparently using the pyruvate released for growth; (2) methyl group oxidations; (3) methylenic oxidations; and (4) S oxidations of aromatic sulfur heterocycles. Strain F297 grew with a creosote-PAC mixture, producing an almost complete removal of all aromatic compounds containing 2 to 3 rings in 14 days, as demonstrated by gas chromatography analysis of the remaining PACs recovered from cultures. The identification of key chemicals confirmed that not only are certain compounds depleted but also the anticipated reaction products are found. 54 refs., 9 figs., 4 tabs.

  9. A THEORETICAL STUDY ON THE VIBRATIONAL SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBON MOLECULES WITH ALIPHATIC SIDEGROUPS

    SciTech Connect

    Sadjadi, SeyedAbdolreza; Zhang, Yong; Kwok, Sun

    2015-03-01

    The role of aliphatic side groups in the formation of astronomical unidentified infrared emission (UIE) features is investigated by applying the density functional theory to a series of molecules with mixed aliphatic-aromatic structures. The effects of introducing various aliphatic groups to a fixed polycyclic aromatic hydrocarbon (PAH) core (ovalene) are studied. Simulated spectra for each molecule are produced by applying a Drude profile at T = 500 K while the molecule is kept at its electronic ground state. The vibrational normal modes are classified using a semi-quantitative method. This allows us to separate the aromatic and aliphatic vibrations, and therefore provides clues to what types of vibrations are responsible for the emissions bands at different wavelengths. We find that many of the UIE bands are not pure aromatic vibrational bands but may represent coupled vibrational modes. The effects of aliphatic groups on the formation of the 8 μm plateau are quantitatively determined. The vibrational motions of methyl (–CH{sub 3}) and methylene (–CH{sub 2} –) groups can cause the merging of the vibrational bands of the parent PAH and the forming of broad features. These results suggest that aliphatic structures can play an important role in the UIE phenomenon.

  10. Application of solid-phase microextraction to the determination of polycyclic aromatic sulfur heterocycles in Bohai Sea crude oils.

    PubMed

    Yang, Baijuan; Hou, Wei; Zhang, Kuiying; Wang, Xiaoru

    2013-08-01

    A simple and rapid solid-phase microextraction approach for the isolation of polycyclic aromatic sulfur heterocycles from the aromatic fraction of crude oil is described. 8-Hydroxyquinoline silica gel impregnated with palladium chloride was used as a sorbent material for extraction. Operational parameters of the extraction solvents have been evaluated and optimized. Benzothiophene, dibenzothiophene, and benzo[b]naphtho[1,2-d]thiophene and their C1-C4 alkyl derivatives were identified and quantified by GC-MS. Under optimum conditions, the limits of detection for benzothiophene, dibenzothiophene, and benzo[b]naphtho[1,2-d]thiophene were 0.277, 0.193, and 0.597 μg/g oil, respectively. The recoveries for the polycyclic aromatic sulfur heterocycles ranged from 81.5 to 92.1%, and the linear dynamic range was from 10 to 1000 ng/mL. The developed methodology was tested in the characterization of crude oil samples collected at the DY, SZ, ZH, and HC petroleum oil fields of the Bohai Sea. The results proved that SPE coupled with GC-MS is a promising tool for the quantitative analysis of polycyclic aromatic sulfur heterocycles in crude oils, especially for oil samples with low concentrations of polycyclic aromatic sulfur heterocycles.

  11. Biodegradation of aged polycyclic aromatic hydrocarbons (PAHs) by microbial consortia in soil and slurry phases.

    PubMed

    Li, Xiaojun; Li, Peijun; Lin, Xin; Zhang, Chungui; Li, Qi; Gong, Zongqiang

    2008-01-15

    Microbial consortia isolated from aged oil-contaminated soil were used to degrade 16 polycyclic aromatic hydrocarbons (15.72 mgkg(-1)) in soil and slurry phases. The three microbial consortia (bacteria, fungi and bacteria-fungi complex) could degrade polycyclic aromatic hydrocarbons (PAHs), and the highest PAH removals were found in soil and slurry inoculated with fungi (50.1% and 55.4%, respectively). PAHs biodegradation in slurry was lower than in soil for bacteria and bacteria-fungi complex inoculation treatments. Degradation of three- to five-ring PAHs treated by consortia was observed in soil and slurry, and the highest degradation of individual PAHs (anthracene, fluoranthene, and benz(a)anthracene) appeared in soil (45.9-75.5%, 62-83.7% and 64.5-84.5%, respectively) and slurry (46.0-75.8%, 50.2-86.1% and 54.3-85.7%, respectively). Therefore, inoculation of microbial consortia (bacteria, fungi and bacteria-fungi complex) isolated from in situ contaminated soil to degrade PAHs could be considered as a successful method.

  12. Retention behavior of isomeric polycyclic aromatic sulfur heterocycles in reversed-phase liquid chromatography.

    PubMed

    Wilson, Walter B; Sander, Lane C; de Alda, Miren Lopez; Lee, Milton L; Wise, Stephen A

    2016-08-26

    Retention indices for 70 polycyclic aromatic sulfur heterocycles (PASHs) were determined using reversed-phase liquid chromatography (LC) on a monomeric and a polymeric C18 stationary phase. Molecular shape parameters [length, breadth, thickness (T), and length-to-breadth ratio (L/B)] were calculated for all the compounds studied. Correlations between the retention on the polymeric C18 phase and PASH geometry (L/B and T) were investigated for six specific PASH isomer groups with molecular mass (MM) 184Da, 234Da, 258Da, 284Da, 334Da, and 384Da. Similar to previous studies for polycyclic aromatic hydrocarbons (PAHs), PASH elution order on the polymeric C18 phase was generally found to follow increasing L/B values. Correlation coefficients for retention vs L/B ranged from r=0.45 (MM 184Da) to r=0.89 (MM 284Da). In the case of smaller PASHs (MM≤258Da), the location of the sulfur atom in the bay-region of the structure resulted in later than expected elution of these isomers based on L/B. In the case of the larger PASHs (MM≥284Da), nonplanarity had a significant influence on earlier than predicted elution based on L/B values.

  13. Retention behavior of alkyl-substituted polycyclic aromatic sulfur heterocycles in reversed-phase liquid chromatography.

    PubMed

    Wilson, Walter B; Sander, Lane C; de Alda, Miren Lopez; Lee, Milton L; Wise, Stephen A

    2016-08-26

    Retention indices for 79 alkyl-substituted polycyclic aromatic sulfur heterocycles (PASHs) were determined by using reversed-phase liquid chromatography (LC) on a monomeric and polymeric octadecylsilane (C18) stationary phase. Molecular shape parameters [length, breadth, thickness (T), and length-to-breadth ratio (L/B)] were calculated for all the compounds studied. Based on separations of isomeric methylated polycyclic aromatic hydrocarbons on polymeric C18 phases, alkyl-substituted PASHs are expected to elute based on increasing L/B ratios. However, the correlation coefficients had a wide range of values from r=0.43 to r=0.93. Several structural features besides L/B ratios were identified to play an important role in the separation mechanism of PASHs on polymeric C18 phases. First, the location of the sulfur atom in a bay-like-region results in alkylated-PASHs being more retentive than non-bay-like-region alkylated-PASHs, and they elute later than expected based on L/B value. Second, the placement of the alkyl group in the k region of the structure resulted in a later elution than predicted by L/B. Third, highly nonplanar methyl-PASHs (i.e., 1-Me and 11-MeBbN12T) elute prior to the parent PASH (BbN12T).

  14. Gene biomarkers in diatom Thalassiosira pseudonana exposed to polycyclic aromatic hydrocarbons from contaminated marine surface sediments.

    PubMed

    Carvalho, Raquel N; Burchardt, Alina D; Sena, Fabrizio; Mariani, Giulio; Mueller, Anne; Bopp, Stephanie K; Umlauf, Gunther; Lettieri, Teresa

    2011-01-17

    Marine diatoms have a key role in the global carbon fixation and therefore in the ecosystem. We used Thalassiosira pseudonana as a model organism to assess the effects of exposure to environmental pollutants at the gene expression level. Diatoms were exposed to polycyclic aromatic hydrocarbons mixture (PAH) from surface sediments collected at a highly PAH contaminated area of the Mediterranean Sea (Genoa, Italy), due to intense industrial and harbor activities. The gene expression data for exposure to the sediment-derived PAH mixture was compared with gene expression data for in vitro exposure to specific polycyclic aromatic hydrocarbons. The data shows that genes involved in stress response, silica uptake, and metabolism were regulated both upon exposure to the sediment-derived PAH mixture and to the single component. Complementary monitoring of silica in the diatom cultures provide further evidence of a reduced cellular uptake of silica as an end-point for benzo[a]pyrene exposure that could be linked with the reduced gene and protein expression of the silicon transporter protein. However some genes showed differences in regulation indicating that mixtures of structurally related chemical compounds can elicit a slightly different gene expression response compared to that of a single component. The paper provides indications on the specific pathways affected by PAH exposure and shows that selected genes (silicon transporter, and silaffin 3) involved in silica uptake and metabolism could be suitable molecular biomarkers of exposure to PAHs.

  15. Semivolatile and particulate polycyclic aromatic hydrocarbons in environmental tobacco smoke. Cleanup, speciation, and emission factors

    SciTech Connect

    Gundel, L.A.; Mahanama, K.R.R.; Daisey, J.M. |

    1995-06-01

    Studies of phase distributions and emission factors for polycyclic aromatic hydrocarbons (PAH) in environmental tobacco smoke (ETS) require collection and analysis of very small samples. To achieve the necessary selectivity and sensitivity, a method has been devised and tested for extraction and cleanup of gas- and particulate-phase ETS samples. Gas-phase species were trapped by polymeric sorbents, and particles were trapped on filters. The samples were extracted with hot cyclohexane, concentrated, and passed through silica solid-phase extraction columns for cleanup. After solvent change, the PAH were determined by high-performance liquid chromatography with two programmed fluorescence detectors. PAH concentrations in 15-mg aliquots of National Institute of Standards and Technology Standard Reference Material (SRM) 1649 (urban dust/organics) agreed well with published values. Relative precision at the 95% confidence level was 8% for SRM 1649 and 20% for replicate samples (5-mg) of ETS particles. Emission factors have been measured for a range of gas- and particulate-phase polycyclic aromatic hydrocarbons in ETS. The emission factors per cigarette were 13.0 {+-} 0.5 mg of particulate matter, 11.2 + 0.9 {mu}g for gas-phase napthalene, and 74 {+-} 10 ng for particulate benzo[a]pyrene. 21 refs., 5 figs., 7 tabs.

  16. Suspended particulate matter collection methods influence the quantification of polycyclic aromatic compounds in the river system.

    PubMed

    Abuhelou, Fayez; Mansuy-Huault, Laurence; Lorgeoux, Catherine; Catteloin, Delphine; Collin, Valéry; Bauer, Allan; Kanbar, Hussein Jaafar; Gley, Renaud; Manceau, Luc; Thomas, Fabien; Montargès-Pelletier, Emmanuelle

    2017-08-16

    In this study, we compared the influence of two different collection methods, filtration (FT) and continuous flow field centrifugation (CFC), on the concentration and the distribution of polycyclic aromatic compounds (PACs) in suspended particulate matter (SPM) occurring in river waters. SPM samples were collected simultaneously with FT and CFC from a river during six sampling campaigns over 2 years, covering different hydrological contexts. SPM samples were analyzed to determine the concentration of PACs including 16 polycyclic aromatic hydrocarbons (PAHs), 11 oxygenated PACs (O-PACs), and 5 nitrogen PACs (N-PACs). Results showed significant differences between the two separation methods. In half of the sampling campaigns, PAC concentrations differed from a factor 2 to 30 comparing FT and CFC-collected SPMs. The PAC distributions were also affected by the separation method. FT-collected SPM were enriched in 2-3 ring PACs whereas CFC-collected SPM had PAC distributions dominated by medium to high molecular weight compounds typical of combustion processes. This could be explained by distinct cut-off threshold of the two separation methods and strongly suggested the retention of colloidal and/or fine matter on glass-fiber filters particularly enriched in low molecular PACs. These differences between FT and CFC were not systematic but rather enhanced by high water flow rates.

  17. Docosahexaenoic acid regulates gene expression in HUVEC cells treated with polycyclic aromatic hydrocarbons.

    PubMed

    Gdula-Argasińska, Joanna; Czepiel, Jacek; Totoń-Żurańska, Justyna; Jurczyszyn, Artur; Perucki, William; Wołkow, Paweł

    2015-07-16

    The molecular mechanism of inflammation and carcinogenesis induced by exposure of polycyclic aromatic hydrocarbons (PAHs) is not clearly understood. Our study was undertaken due to the strong pro-carcinogenic potential and reactivity of PAH-metabolites, as well as the susceptibility of polyunsaturated fatty acids to oxidation. The aim of this study was to evaluate the pro- or anti-inflammatory impact of n-3 docosahexaenoic acid on human primary umbilical vein endothelial cells (HUVEC) exposed to polycyclic aromatic hydrocarbons. We analysed the influence of docosahexaenoic acid (DHA) and/or PAHs supplementation on the fatty acid profile of cell membranes, on cyclooxygenase-2 (COX-2), aryl hydrocarbon receptor (AHR), and glutathione S transferase Mu1 (GSTM1) protein expression as well as on the prostaglandin synthase 2 (PTGS2), AHR, GSTM1, PLA2G4A, and cytochrome P450 CYP1A1 gene expression. We observed that COX-2 and AHR protein expression was increased while GSTM1 expression was decreased in cells exposed to DHA and PAHs. Docosahexaenoic acid down-regulated CYP1A1 and up-regulated the AHR and PTGS2 genes. Our findings suggested that DHA contributes significantly to alleviate the harmful effects caused by PAHs in endothelial cells. Moreover, these results suggest that a diet rich in n-3 fatty acids is helpful to reduce the harmful effects of PAHs exposure on human living in heavily polluted areas.

  18. Mutagenic hazards of complex polycyclic aromatic hydrocarbon mixtures in contaminated soil

    SciTech Connect

    Lemieux, C.L.; Lambert, A.B.; Lundstedt, S.; Tysklind, M.; White, P.A.

    2008-04-15

    The objective of the present study was to evaluate hazard/risk assessment methods for complex environmental mixtures that involve a targeted, priority chemical approach based on the cumulative hazard/risk of known mixture components or analyses of sufficiently similar mixtures. Ten polycyclic aromatic hydrocarbon (PAH)-contaminated soils were separated into nonpolar and semipolar fractions, and both fractions elicited positive responses on the Salmonella reverse mutation assay. Targeted and nontargeted methods of hazard prediction routinely overestimated mutagenic activities for the nonpolar soil fractions, suggesting nonadditive interactions of PAHs in complex mixtures. This suggests that current risk assessment methods for complex mixtures may provide conservative estimates regarding soils contaminated with priority PAHs alone. Significant underestimations of total risk, however, will be obtained if the soils also contain unidentified PAHs as well as polycyclic aromatic compounds and related compounds that contribute to the total mutagenic activity. Furthermore, estimates of excess lifetime cancer risk associated with the nondietary ingestion of the PAH-contaminated soils studied here indicate that a traditional risk assessment model based on identified priority PAHs and an assumption of additivity generally underestimates the risk associated with the nonpolar soil fractions (in comparison to bioassay-derived risk estimates). Additional cancer risk may be associated with the more polar compounds that also are found at these contaminated sites and that rarely are included in the standard risk assessment methodology.

  19. Bile metabolites of polycyclic aromatic hydrocarbons (PAHs) in three species of fish from Morocco.

    PubMed

    Baali, Ayoub; Kammann, Ulrike; Hanel, Reinhold; El Qoraychy, Ikram; Yahyaoui, Ahmed

    2016-01-01

    Polycyclic aromatic hydrocarbons (PAH) are environmental contaminants that pose significant risk to health of fish. Environmental pollution of fish is a topic of rising attention in Morocco. However, only few studies have been carried out so far, describing the potential threat of organic pollution to Moroccan aquatic ecosystem. Two polycyclic aromatic hydrocarbon (PAH) metabolites, 1-hydroxypyrene (1-OH-Pyr) and 1-hydroxyphenanthrene (1-OH-Phen), were identified and quantified from the bile of 18 European eels (Anguilla anguilla), 7 Moray (Muraenidae), and 28 Conger eels (Conger conger) collected from Moulay Bousselham lagoon and Boujdour coast. The bile metabolites were separated by high-performance liquid chromatography with fluorescence detection. The present study aims to compare the levels of PAH metabolites in fish from the lagoon and the open sea and to compare levels of PAH metabolites in different fish species. The major metabolite present in all fish was 1-hydroxypyrene (

  20. [Simultaneous determination of 15 polycyclic aromatic hydrocarbons additives in vegetable oil by ultra performance liquid chromatography].

    PubMed

    Dong, Guixian; Wang, Zhaoxia; Zhou, Xiaoge; Zhang, Xiaoyu; Wang, Ying; Zhang, Guifang

    2014-07-01

    To establish a rapid method for simultaneous determination of 15 polycyclic aromatic hydrocarbons (PAHs) in vegetable oil by ultra performance liquid chromatography with fluorescence detection. The vegetable oils were extracted with acetonitrile and acetone (1:1), purified with Oasis HLB and Sep-Pak Florsil column, separated on Waters PAH C18 (4.6 mm x 250 mm, 3 microm) special column for the analysis of polycyclic aromatic hydrocarbons with a mobile phase of acetonitrile, methanol and water for gradient elution, the column temperature was 35 degrees C, and the injection was 10 microl. The concentration of PAHs in samples were determined with fluorescence detector, and quantitative analysis was carried out by external standard. The 15 PAHs were completely separated within 9 min. Within 2 to 200 microg/L, the peak area and content was in a good linear relationship (r > or = 0.9990). The average recoveries of three spiked levels (10, 50 and 100 microg/kg) were 75.8% and 96.4%, with RSDs of 3.42% - 8.03% (n = 5). The limits of detection were 0.025 - 0.8 microg/kg and the limits of quantification were 0.08 - 3.0 microg/kg. This method is simple and quick with high sensitivity, and it is suitable for the determination of 15 PAHs in vegetable oil.

  1. Standard Chemical Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons and Their Isomer Groups I. Benzene Series

    NASA Astrophysics Data System (ADS)

    Alberty, Robert A.; Reif, Andrea K.

    1988-01-01

    The polycyclic aromatic hydrocarbons can be organized into an infinite number of series in each of which successive isomer groups differ by C4H2. The first series starts with benzene, and chemical thermodynamic tables are presented here for C6H6, C10H8, C14H10, C18H12, C22H14, and C26H16 in the ideal gas phase. Since chemical thermodynamic properties are known for only several polycyclic aromatic hydrocarbons, the properties of individual species have been estimated using Benson group values of Stein and Fahr for temperatures from 298.15 to 3000 K. Values of C○P, S°, ΔfH°, and ΔfG° have been calculated in joules for a standard state pressure of 1 bar. The chemical thermodynamic properties of the isomer groups have also been calculated. This provides a basis for extrapolating to higher carbon numbers where it is not feasible to consider individual molecular species.

  2. Polycyclic aromatic hydrocarbon-DNA adducts and the CYP1A1 restriction fragment length polymorphism

    SciTech Connect

    Shields, P.G.; Bowman, E.D.; Weston, A.; Harris, C.C.; Sugimura, H.; Caporaso, N.E.; Petruzzelli, S.F. ); Trump, B.F. )

    1992-11-01

    Human cancer risk assessment at a genetic level involves the investigation of carcinogen metabolism and DNA adduct formation. Wide interindividual differences in metabolism result in different DNA adduct levels. For this and other reasons, many laboratories have considered DNA adducts to be a measure of the biologically effective dose of a carcinogen. Techniques for studying DNA adducts using chemically specific assays are becoming available. A modification of the [sup 32]P-postlabeling assay for polycyclic aromatic hydrocarbon DNA adducts described here provides potential improvements in quantification. DNA adducts, however, reflect only recent exposure to carcinogens; in contrast, genetic testing for metabolic capacity indicates the extent to which carcinogens can be activated and exert genotoxic effects. Such studies may reflect both separate and integrated risk factors together with DNA adduct levels. A recently described restriction fragment length polymorphism for the CYP1A1, which codes for the cytochrome P450 enzyme primarily responsible for the metabolic activation of carcinogenic polycyclic aromatic hydrocarbons, has been found to be associated with lung cancer risk in a Japanese population. In a subset of individuals enrolled in a US lung cancer case-control study, no association with lung cancer was found. 17 refs., 3 figs.

  3. Characterization and source identification of polycyclic aromatic hydrocarbons (PAHs) in the urban environment of Delhi.

    PubMed

    Sharma, Homdutt; Jain, V K; Khan, Zahid H

    2007-01-01

    This paper reports on polycyclic aromatic hydrocarbons (PAHs) in the atmospheric particulate matter of Jawaharlal Nehru University campus, an urbanized site of New Delhi, India. Suspended particulate matter samples of 24h duration were collected on glass-fiber filter paper for four representative days in each month during January 2002 to December 2003. PAHs were extracted from filter papers using toluene with ultrasonication method and analysed. Quantitative measurements of polycyclic aromatic hydrocarbons (PAHs) were carried out using the gas chromatography technique. The annual average concentration of total PAHs were found to be 668+/-399 and 672+/-388 ng/m3 in the years 2002 and 2003, respectively. The seasonal average concentrations were found to be maximum in winter and minimum during in the monsoon. The results of principal component analysis (PCA) indicate that diesel and gasoline driven vehicles are the principal sources of PAHs in all the seasons. In winter coal and wood combustion also significantly contribute to the PAH levels.

  4. Distributions of nitrated polycyclic aromatic hydrocarbons in the sediment of Osaka Bay, Japan.

    PubMed

    Uno, Seiichi; Tanaka, Hiroyuki; Kokushi, Emiko; Bacolod, Eugene T; Koyama, Jiro

    2017-03-05

    The distributions of 15 nitrated polycyclic aromatic hydrocarbons (NPAHs) in sediments collected at 44 sites throughout Osaka Bay, Japan were examined. The highest total NPAHs, with a concentration of 1949ng/kg dry weight, were detected near the city of Amagasaki. Some sites near the cities of Osaka, Kishiwada, sand Sakai registered ng/kg levels of NPAHs, but individual NPAH concentrations were relatively lower than those in previous studies. The sources were estimated using principal component analysis, and NPAHs were derived from exhaust gases of automobiles and industries at some sites. However, our results suggest that it is difficult to estimate the source, especially in coastal areas near big cities and large industrial areas, because the generation pathways between parent polycyclic aromatic hydrocarbons (PAHs) and nitrated PAHs are slightly different, and the ratio of PAHs and NPAHs could not be accurately reflect the characters of sources in sediments especially at coastal areas with large-scale industrial zones. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Polycyclic Aromatic Hydrocarbons (PAHs) in urban atmospheric particulate of NCR, Delhi, India

    NASA Astrophysics Data System (ADS)

    Sonwani, Saurabh; Amreen, Hassan; Khillare, P. S.

    2016-07-01

    The present study identifies the particulate Polycyclic Aromatic hydrocarbons (PAHs) and their sources in ambient atmosphere of Delhi, India. PM10 (aerodynamic diameter, ≤10 μm) samples were collected weekly at two residential areas from July 2013 to January 2014. First sampling site was located in centre of the city, while other was at city's background (located in South-East direction of the Delhi). PM10 was collected on Whatman GF/A (8"x10") glass fibre filters using High-Volume sampler having a constant flow rate of 1.10 m3/min. A total of 55 samples, 27 from city centre and 28 from background site were collected during sampling period, covering two different seasons. The samples were analysed for determination of 16 Polycyclic Aromatic Hydrocarbons by using High Performance Liquid Chromatography (HPLC) system (Waters, USA). A source apportionment study using Molecular Diagnostic Ratio (MDR) and Principal Component Analysis (PCA) were conducted for both sampling sites in order to identify the potential PAHs sources in Delhi. MDR was used for the preliminary identification of sources and PCA was used for further confirmation of the PAH sources at both the sites in Delhi. Results indicated towards traffic and coal combustion related sources as dominant contributors of urban atmospheric PAHs in Delhi.

  6. Firefighting instructors' exposures to polycyclic aromatic hydrocarbons during live fire training scenarios.

    PubMed

    Kirk, Katherine M; Logan, Michael B

    2015-01-01

    Cumulative exposures of firefighting instructors to toxic contaminants generated from live-fire training potentially far exceed firefighter exposures arising from operational fires. This study measured the atmospheric concentrations of polycyclic aromatic hydrocarbons (PAHs) outside and inside the structural firefighting ensembles worn by instructors during five live fire training evolutions. In addition, the contamination of ensembles by deposition of PAHs was characterized. Concentrations of polycyclic aromatic hydrocarbons outside the instructors' structural firefighting ensembles during the training evolutions ranged from 430 μg/m(3) to 2700 μg/m(3), and inside the structural firefighting ensembles from 32 μg/m(3) to 355 μg/m(3). Naphthalene, phenanthrene and acenaphthylene dominated the PAHs generated in the live fire evolutions, but benzo[a]pyrene was the greatest contributor to the toxicity of the PAH mixture both inside and outside the structural firefighting ensembles. Deposition of PAHs onto the structural firefighting ensembles was measured at between 69 and 290 ng/cm(2), with phenanthrene, fluoranthene, pyrene, and benzo[a]anthracene detected on all samples. These findings suggest that firefighting instructor exposures to PAHs during a single live-fire training evolution are comparable with exposures occurring in industrial settings over a full shift. Further research is required to investigate the importance of various potential routes of exposure to PAHs as a result of ingress and deposition of PAHs in/on structural firefighting ensembles.

  7. Effects of co-occurring aromatic hydrocarbons on degradation of individual polycyclic aromatic hydrocarbons in marine sediment slurries

    SciTech Connect

    Bauer, J.E.; Capone, D.G.

    1988-07-01

    Rates of polycyclic aromatic hydrocarbon (PAH) degradation and mineralization were influenced by preexposure to alternate PAHs and a monoaromatic hydrocarbon at relatively high (100 ppm) concentrations in organic-rich aerobic marine sediments. Prior exposure to three PAHs and benzene resulted in enhanced (/sup 14/C)naphthalene mineralization, while (/sup 14/C)anthracene mineralization was stimulated only by benzene and anthracene preexposure. Preexposure of sediment slurries to phenanthrene stimulated the initial degradation of anthracene. Prior exposure to naphthalene stimulated the initial degradation of phenanthrene but had no effect on either the initial degradation of mineralization of anthracene. For those compounds which stimulated (/sup 14/C)anthracene of (/sup 14/C)naphthalene mineralization, longer preexposures (2 weeks) to alternative aromatic hydrocarbons resulted in an even greater stimulation response. Enrichment with individual PAHs followed by subsequent incubation with one or two PAHs showed no alteration in degradation patterns due to the simultaneous presence of PAHs. The evidence suggests that exposure of marine sediments to a particular PAH or benzene results in the enhanced ability of these sediments to subsequently degrade that PAH as well as certain other PAHs. The enhanced degradation of a particular PAH after sediments have been exposed to it may result from the selection and proliferation of specific microbial populations capable of degrading it.

  8. Atmospheric behaviors of particulate-bound polycyclic aromatic hydrocarbons and nitropolycyclic aromatic hydrocarbons in Beijing, China from 2004 to 2010

    NASA Astrophysics Data System (ADS)

    Tang, Ning; Suzuki, Genki; Morisaki, Hiroshi; Tokuda, Takahiro; Yang, Xiaoyang; Zhao, Lixia; Lin, Jinming; Kameda, Takayuki; Toriba, Akira; Hayakawa, Kazuichi

    2017-03-01

    Airborne particulates were collected at an urban site (site 1) from 2004 to 2010 and at a suburban site (site 2) in 2010 in Beijing. Nine polycyclic aromatic hydrocarbons (PAHs) and five nitropolycyclic aromatic hydrocarbons (NPAHs) in the airborne particulates were determined by HPLC with fluorescence and chemiluminescence detection, respectively. The concentrations of PAHs and NPAHs were higher in heating season than in non-heating season at the two sites. Both the concentrations of PAHs and NPAHs decreased in the non-heating season but only the concentrations of NPAHs decreased in heating season at site 1, from 2004 to 2010. These findings suggest that source control measures implemented by the city of Beijing helped to reduce air pollution in Beijing. The concentrations of PAHs increased at site 1 in 2010, possibly because of the transport of emissions from windward other areas, such as Shanxi province. Several diagnostic ratios of PAHs and NPAHs showed that the different sources contributed to Beijing's air pollution, although coal combustion was the main source in the heating season and vehicle emission was the main source in the non-heating season. An analysis of physical parameters at Beijing showed that high wind speed can remove atmospheric PAHs and NPAHs in the heating season and that high relative humidity can remove them in the non-heating season.

  9. Comparison of polycyclic aromatic hydrocarbons and nitropolycyclic aromatic hydrocarbons in airborne particulates collected in downtown and suburban Kanazawa, Japan

    NASA Astrophysics Data System (ADS)

    Hayakawa, Kazuichi; Tang, Ning; Akutsu, Kazuhiko; Murahashi, Tsuyoshi; Kakimoto, Hitoshi; Kizu, Ryoichi; Toriba, Akira

    In this study, airborne particulates were collected at three sites, two in a downtown area and the other in a suburban area of Kanazawa, Japan in each season for 7 years. Two polycyclic aromatic hydrocarbons (PAHs), pyrene (Py) and benzo[ a]pyrene (BaP) and four nitropolycyclic aromatic hydrocarbons (NPAHs), 1-nitropyrene (NP) and 1,3-, 1,6-, and 1,8-dinitropyrenes (DNP) were determined by high-performance liquid chromatography with fluorescence and chemiluminescence detection. At the downtown sites, the mean concentration of each DNP was about two orders of magnitude lower than that of 1-NP and more than three orders of magnitude lower than those of Py and BaP. This tendency reflected the composition of PAHs and NPAHs in diesel-engine exhaust particulates. Concentrations of these PAHs and NPAHs were higher at the downtown sites than at the suburban site, suggesting the dilution of these compounds during the transportation from the downtown to the suburban area. The concentration ratios of NPAHs to PAHs were larger at the downtown sites than at the suburban site. Studies using UV light and sunlight showed that degradation of NPAHs was faster than that of PAHs. Thus, the lower concentrations of NPAHs in the suburban sites may be due to their being photodegraded faster than PAHs during the atmospheric transportation from the downtown area to the suburban area.

  10. Effects of co-occurring aromatic hydrocarbons on degradation of individual polycyclic aromatic hydrocarbons in marine sediment slurries.

    PubMed Central

    Bauer, J E; Capone, D G

    1988-01-01

    Rates of polycyclic aromatic hydrocarbon (PAH) degradation and mineralization were influenced by preexposure to alternate PAHs and a monoaromatic hydrocarbon at relatively high (100 ppm) concentrations in organic-rich aerobic marine sediments. Prior exposure to three PAHs and benzene resulted in enhanced [14C]naphthalene mineralization, while [14C]anthracene mineralization was stimulated only by benzene and anthracene preexposure. Preexposure of sediment slurries to phenanthrene stimulated the initial degradation of anthracene. Prior exposure to naphthalene stimulated the initial degradation of phenanthrene but had no effect on either the initial degradation or mineralization of anthracene. For those compounds which stimulated [14C]anthracene or [14C]naphthalene mineralization, longer preexposures (2 weeks) to alternative aromatic hydrocarbons resulted in an even greater stimulation response. Enrichment with individual PAHs followed by subsequent incubation with one or two PAHs showed no alteration in degradation patterns due to the simultaneous presence of PAHs. The evidence suggests that exposure of marine sediments to a particular PAH or benzene results in the enhanced ability of these sediments to subsequently degrade that PAH as well as certain other PAHs. The enhanced degradation of a particular PAH after sediments have been exposed to it may result from the selection and proliferation of specific microbial populations capable of degrading it. The enhanced degradation of other PAHs after exposure to a single PAH suggests that the populations selected have either broad specificity for PAHs, common pathways of PAH degradation, or both. PMID:3415231

  11. Polytetrafluoroethylene-jacketed stirrer modified with graphene oxide and polydopamine for the efficient extraction of polycyclic aromatic hydrocarbons.

    PubMed

    Zhang, Zinxin; Mwadini, Mwadini Ahmada; Chen, Zilin

    2016-10-01

    Steel stirrers jacketed with polytetrafluoroethylene can be regarded as an ideal substrate for stirrer bar sorptive extraction. However, it is still a great challenge to immobilize graphene onto a polytetrafluoroethylene stirrer due to the high chemical resistance of the surface of a polytetrafluoroethylene stirrer. We describe here a method to modify the surface of polytetrafluoroethylene stirrers with graphene. In this work, graphene was used as the sorbent due to its excellent adsorption capability for aromatic compounds, such as polycyclic aromatic compounds. Graphene was successfully immobilized onto polytetrafluoroethylene-stirrer by a bio-inspired polydopamine functionalization method. The graphene-modified polytetrafluoroethylene-stirrer shows good stability and tolerance to stirring, ultrasonication, strong acidic and basic solutions, and to organic solvents. The multilayer coating was characterized by scanning electronic microscopy and Fourier transform infrared spectroscopy. After the optimization of some experimental conditions, the graphene-modified polytetrafluoroethylene stirrer was used for the stirrer bar sorptive extraction of polycyclic aromatic hydrocarbons, in which the binding between the polycyclic aromatic hydrocarbons and the graphene layer was mainly based on π-π stacking and hydrophobic interactions. The graphene-modified polytetrafluoroethylene-stirrer-based stirrer bar sorptive extraction and high-performance liquid chromatography method was developed for the determination of polycyclic aromatic hydrocarbons with great extraction efficiency, with enrichment factors from 18 to 62. The method has low limits of detection of 1-5 pg/mL, wide linear range (5-100 and 10-200 pg/mL), good linearity (R ≥ 0.9957) and good reproducibility (RSD ≤ 6.45%). The proposed method has been applied to determine polycyclic aromatic hydrocarbons in real dust samples. Good recoveries were obtained, ranging from 88.53 to 109.43%.

  12. Hydrous pyrolysis of polycyclic aromatic hydrocarbons and implications for the origin of PAH in hydrothermal petroleum

    NASA Technical Reports Server (NTRS)

    McCollom, T. M.; Simoneit, B. R.; Shock, E. L.

    1999-01-01

    Polycyclic aromatic hydrocarbons (PAH) are found at high concentrations in thermally altered organic matter and hydrothermally generated petroleum from sediment-covered seafloor hydro-thermal systems. To better understand the factors controlling the occurrence of PAH in thermally altered environments, the reactivities of two PAH, phenanthrene and anthracene, were investigated in hydrothermal experiments. The compounds were heated with water at 330 degrees C in sealed reaction vessels for durations ranging from 1 to 17 days. Iron oxide and sulfide minerals, formic acid, or sodium for-mate were included in some experiments to vary conditions within the reaction vessel. Phenanthrene was unreactive both in water alone and in the presence of minerals for up to 17 days, while anthracene was partially hydrogenated (5-10%) to di- and tetrahydroanthracene. In the presence of 6-21 vol % formic acid, both phenanthrene and anthracene reacted extensively to form hydrogenated and minor methylated derivatives, with the degree of hydrogenation and methylation increasing with the amount of formic acid. Phenanthrene was slightly hydrogenated in sodium formate solutions. The hydrogenation reactions could be readily reversed; heating a mixture of polysaturated phenanthrenes resulted in extensive dehydrogenation (aromatization) after 3 days at 330 degrees C. While the experiments demonstrate that reaction pathways for the hydrogenation of PAH under hydrothermal conditions exist, the reactions apparently require higher concentrations of H2 than are typical of geologic settings. The experiments provide additional evidence that PAH may be generated in hydrothermal systems from progressive aromatization and dealkylation of biologically derived polycyclic precursors such as steroids and terpenoids. Furthermore, the results indicate that PAH initially present in sediments or formed within hydrothermal systems are resistant to further thermal degradation during hydrothermal alteration.

  13. Hydrous pyrolysis of polycyclic aromatic hydrocarbons and implications for the origin of PAH in hydrothermal petroleum.

    PubMed

    McCollom, T M; Simoneit, B R; Shock, E L

    1999-01-01

    Polycyclic aromatic hydrocarbons (PAH) are found at high concentrations in thermally altered organic matter and hydrothermally generated petroleum from sediment-covered seafloor hydro-thermal systems. To better understand the factors controlling the occurrence of PAH in thermally altered environments, the reactivities of two PAH, phenanthrene and anthracene, were investigated in hydrothermal experiments. The compounds were heated with water at 330 degrees C in sealed reaction vessels for durations ranging from 1 to 17 days. Iron oxide and sulfide minerals, formic acid, or sodium for-mate were included in some experiments to vary conditions within the reaction vessel. Phenanthrene was unreactive both in water alone and in the presence of minerals for up to 17 days, while anthracene was partially hydrogenated (5-10%) to di- and tetrahydroanthracene. In the presence of 6-21 vol % formic acid, both phenanthrene and anthracene reacted extensively to form hydrogenated and minor methylated derivatives, with the degree of hydrogenation and methylation increasing with the amount of formic acid. Phenanthrene was slightly hydrogenated in sodium formate solutions. The hydrogenation reactions could be readily reversed; heating a mixture of polysaturated phenanthrenes resulted in extensive dehydrogenation (aromatization) after 3 days at 330 degrees C. While the experiments demonstrate that reaction pathways for the hydrogenation of PAH under hydrothermal conditions exist, the reactions apparently require higher concentrations of H2 than are typical of geologic settings. The experiments provide additional evidence that PAH may be generated in hydrothermal systems from progressive aromatization and dealkylation of biologically derived polycyclic precursors such as steroids and terpenoids. Furthermore, the results indicate that PAH initially present in sediments or formed within hydrothermal systems are resistant to further thermal degradation during hydrothermal alteration.

  14. Polycyclic Aromatic Hydrocarbon Metabolic Network in Mycobacterium vanbaaleniiPYR-1 ▿ †

    PubMed Central

    Kweon, Ohgew; Kim, Seong-Jae; Holland, Ricky D.; Chen, Hongyan; Kim, Dae-Wi; Gao, Yuan; Yu, Li-Rong; Baek, Songjoon; Baek, Dong-Heon; Ahn, Hongsik; Cerniglia, Carl E.

    2011-01-01

    This study investigated a metabolic network (MN) from Mycobacterium vanbaaleniiPYR-1 for polycyclic aromatic hydrocarbons (PAHs) from the perspective of structure, behavior, and evolution, in which multilayer omics data are integrated. Initially, we utilized a high-throughput proteomic analysis to assess the protein expression response of M. vanbaaleniiPYR-1 to seven different aromatic compounds. A total of 3,431 proteins (57.38% of the genome-predicted proteins) were identified, which included 160 proteins that seemed to be involved in the degradation of aromatic hydrocarbons. Based on the proteomic data and the previous metabolic, biochemical, physiological, and genomic information, we reconstructed an experiment-based system-level PAH-MN. The structure of PAH-MN, with 183 metabolic compounds and 224 chemical reactions, has a typical scale-free nature. The behavior and evolution of the PAH-MN reveals a hierarchical modularity with funnel effects in structure/function and intimate association with evolutionary modules of the functional modules, which are the ring cleavage process (RCP), side chain process (SCP), and central aromatic process (CAP). The 189 commonly upregulated proteins in all aromatic hydrocarbon treatments provide insights into the global adaptation to facilitate the PAH metabolism. Taken together, the findings of our study provide the hierarchical viewpoint from genes/proteins/metabolites to the network via functional modules of the PAH-MN equipped with the engineering-driven approaches of modularization and rationalization, which may expand our understanding of the metabolic potential of M. vanbaaleniiPYR-1 for bioremediation applications. PMID:21725022

  15. Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Compounds and Their Ions. 7; Phenazine, a Dual Substituted Polycyclic Aromatic Nitrogen Heterocycle

    NASA Technical Reports Server (NTRS)

    Mattioda, A. L.; Hudgins, D. M.; Bauschlicher, C. W., Jr.; Allamandola, L. J.

    2004-01-01

    The matrix-isolation technique has been employed to measure the mid-infrared spectra of phenazine (C12H8N2), a dual substituted Polycyclic Aromatic Nitrogen Heterocycle (PANH), in the neutral, cationic and anionic forms. The experimentally measured band frequencies and intensities are tabulated and compared with their calculated values as well as those of the non-substituted parent molecule, anthracene. The theoretical band positions and intensities were calculated using both the 3-31 G as well as the larger 6-3lG* Basis Sets. A comparison of the results can be found in the tables. The spectroscopic properties of phenazine and its cation are similar to those observed in mono-substituted PANHs, with one exception. The presence of a second nitrogen atom results in an additional enhancement of the cation's total integrated intensity, for the 1500-1000 cm(sup -1) (6.7 to 10 micron) region, over that observed for a mono-substituted PANH cation. The significance of this enhancement and the astrobiological implications of these results are discussed.

  16. Identification and Quantification of Six-Ring C26H16 Cata-Condensed Polycyclic Aromatic Hydrocarbons in a Complex Mixture of Polycyclic Aromatic Hydrocarbons from Coal Tar

    PubMed Central

    Oña-Ruales, Jorge O.; Sharma, Arun K.; Wise, Stephen A.

    2015-01-01

    We applied a combination of normal-phase liquid chromatography (NPLC) with ultraviolet-visible spectroscopy and gas chromatography with mass spectrometry (GC/MS) for the fractionation, identification, and quantification of six ring C26H16 cata-condensed polycyclic aromatic hydrocarbons, PAHs, in the Standard Reference Material 1597a, Complex Mixture of PAHs from Coal Tar. For the characterization analysis, we calculated the GC retention indices of 17 C26H16 PAH authentic reference standards using the Rxi-PAH and DB-5 GC columns. Then, we used NPLC with ultraviolet-visible spectroscopy to isolate the fractions containing the C26H16 PAHs, and subsequently, we used GC/MS to establish the identity and quantity of the C26H16 PAHs using authentic reference standards. Following this procedure, 12 C26H16 cata-condensed PAHs benzo[c]pentaphene, dibenzo[f,k]tetraphene, benzo[h]pentaphene, dibenzo[a,l]tetracene, dibenzo[c,k]tetraphene, naphtho[2,3-c]tetraphene, dibenzo[a,c]tetracene, benzo[b]picene, dibenzo[a,j]tetracene, naphtho[2,1-a]tetracene, dibenzo[c,p]chrysene, and dibenzo[a,f]tetraphene were identified and quantified for the first time, and benzo[c]picene was quantified for the first time in an environmental combustion sample. PMID:26449848

  17. Polycyclic aromatic hydrocarbons, polychlorinated biphenyls, and chlorinated pesticides in background air in central Europe - investigating parameters affecting wet scavenging of polycyclic aromatic hydrocarbons

    NASA Astrophysics Data System (ADS)

    Shahpoury, P.; Lammel, G.; Holubová Šmejkalová, A.; Klánová, J.; Přibylová, P.; Váňa, M.

    2014-10-01

    Concentrations of polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), and chlorinated pesticides (CPs) were measured in air and precipitation at a background site in central Europe. Σ PAH concentrations in air and rainwater ranged from 0.7 to 327.9 ng m-3 and below analytical method detection limit (< MDL) to 2.1 × 103 ng L-1. The concentrations of PCBs and CPs in rainwater were < MDL. Σ PCB and Σ CP concentrations in air ranged from < MDL to 44.6 and < MDL to 351.7 pg m-3, respectively. The potential relationships between PAH wet scavenging and particulate matter and rainwater properties were investigated. The concentrations of ionic species in particulate matter and rainwater were significantly correlated, highlighting the importance of particle scavenging process. Overall, higher scavenging efficiencies were found for relatively less volatile PAHs, underlining the effect of analyte gas-particle partitioning on scavenging process. The PAH wet scavenging was more effective when the concentrations of ionic species were high. In addition, the elemental and organic carbon contents of the particulate matter were found to influence the PAH scavenging.

  18. Polycyclic aromatic hydrocarbons, polychlorinated biphenyls, and chlorinated pesticides in background air in central Europe - investigating parameters affecting wet scavenging of polycyclic aromatic hydrocarbons

    NASA Astrophysics Data System (ADS)

    Shahpoury, P.; Lammel, G.; Holubová Šmejkalová, A.; Klánová, J.; Přibylová, P.; Váňa, M.

    2015-02-01

    Concentrations of polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), and chlorinated pesticides (CPs) were measured in air and precipitation at a background site in central Europe. ∑ PAH concentrations in air and rainwater ranged from 0.7 to 327.9 ng m-3 and below limit of quantification (< LOQ) to 2.1 × 103 ng L-1. The concentrations of PCBs and CPs in rainwater were < LOQ. ∑ PCB and ∑ CP concentrations in air ranged from < LOQ to 44.6 and < LOQ to 351.7 pg m-3, respectively. The potential relationships between PAH wet scavenging and particulate matter and rainwater properties were investigated. The concentrations of ionic species in particulate matter and rainwater were significantly correlated, highlighting the importance of particle scavenging process. Overall, higher scavenging efficiencies were found for relatively less volatile PAHs, underlining the effect of analyte gas-particle partitioning on scavenging process. The particulate matter removal by rain, and consequently PAH wet scavenging, was more effective when the concentrations of ionic species were high. In addition, the elemental and organic carbon contents of the particulate matter were found to influence the PAH scavenging.

  19. Polyurethane foam chips combined with liquid chromatography in the determination of unmetabolized polycyclic aromatic hydrocarbons excreted in human urine.

    PubMed

    Buratti, Marina; Pellegrino, Oronzo; Valla, Carla; Rubino, Federico Maria; Verduci, Cinzia; Colombi, Antonio

    2006-09-01

    A method suitable for the determination of unmetabolized polycyclic aromatic hydrocarbons (PAHs) excreted at trace levels (ng/L) in human urine for the monitoring of exposure of the general population to PAH contamination was developed. PAHs were determined, after enrichment by solid-phase extraction on polyurethane foam (PUF) chips, by HPLC with fluorescence detection. Different parameters affecting analyte extraction to the PUF, including urine salting-out and organic additives, and optimization of conditions for clean-up and desorption have been investigated. Optimized conditions were 40 mL acidified urine sample, added with magnesium sulfate, tetrahydrofuran and a 2 cm3 PUF chip, and extracted by shaking at 30 rpm for 1 h at ambient temperature. Desorption was performed, after a clean-up step with diluted sodium hydroxide, using a small amount of diethyl ether. The recovery of PAH congeners from spiked urines was >90% in the 2-100 ng/L range; the detection limit was 0.1-0.5 ng/L, depending on the considered PAH congener; day-to-day precision, at 50 ng/L native PAH content, was CV = 10-20%. The proposed technique provides a simple, economical and effective procedure for the determination of trace amounts of unmetabolized PAHs excreted in human urine spot samples.

  20. Fenton degradation assisted by cyclodextrins of a high molecular weight polycyclic aromatic hydrocarbon benzo[a]pyrene.

    PubMed

    Veignie, Etienne; Rafin, Catherine; Landy, David; Fourmentin, Sophie; Surpateanu, Gheorghe

    2009-09-15

    This paper investigates the effect of native beta-cyclodextrin (beta-CD) and its CD derivatives, such as hydroxypropyl-beta-cyclodextrin (HPBCD) and randomly methylated-beta-cyclodextrin (RAMEB), on the solubilization of a high molecular weight polycyclic aromatic hydrocarbon benzo[a]pyrene (BaP) and on its degradation by Fenton's reaction. The results show that BaP apparent solubility was significantly increased in the presence of cyclodextrin (CD) in the following order: beta-CD