Identification and Quantification of Thiaarenes in the Flue Gas of Lignite-Fired Domestic Heating

Thuß, Uwe; Popp, Peter; Ehrlich, Christian; Kalkoff, W

doi:10.1002/1521-4168(20000801)23:7/8<457::aid-jhrc457>3.0.co;2-7

Cited by 9 publications

(2 citation statements)

References 21 publications

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“…They include naphtho[2,1,8,7– klmn ]xanthene (peak 6), dinaphthofurans (peaks 26–28), a dibenzocarbazole (peak 7), benzo[ b ]naphthothiophene isomers (peaks 2 and 3), and a C 18 H 10 S‐thiaarene (MW 258; peak 25). Examples for C 18 H 10 S‐thiaarenes were given by Thuß et al [29]. The presence of sulfur was indicated by M/M+2 ratios of approximately 100:6.5 rather than 100:2.4 for PAHs and oxygen heterocycles.…”

Section: Resultsmentioning

confidence: 99%

Effect‐directed analysis of mutagens and ethoxyresorufin‐O‐deethylase inducers in aquatic sediments

Brack

Schirmer

Erdinger

et al. 2005

Enviro Toxic and Chemistry

130

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Sediment extracts from a creek in the Neckar river basin (Germany), which received the discharge of treated hospital wastewater, were found to exhibit strong aromatic hydrocarbon (Ah) receptor-mediated effects in a rainbow trout liver cell line (RTL-WI) as well as high mutagenicity in the Salmonella/microsome assay after fractionation. The crude extract did not exhibit a clear mutagenic response. Apparently, cleanup or fractionation before mutagenicity testing is necessary to minimize the risk of false-negative results. Effect-directed fractionation and analysis were applied to characterize and identify the toxicants that cause these effects. Major ethoxyresorufin-O-deethylase induction potency and mutagenicity were detected in different polyaromatic fractions, indicating different sets of toxicants that induce metabolic activation and mutagenicity. Dioxin-like halogenated aromatic hydrocarbons, including polychlorinated biphenyls, naphthalenes, dibenzo-p-dioxins and furans, and priority polycyclic aromatic hydrocarbons, contributed to Ah receptor-mediated activity only to a minor extent. Benzo[a]pyrene, benzo[a]fluoranthene, and perylene could be confirmed as important contributors to mutagenicity. The nonpriority pollutants 11H-indeno[2,1,7-cde]pyrene, a methylbenzo[e]pyrene, and a methylperylene were tentatively identified as major components, representing 82% of the peak area of a highly mutagenic fraction of the sediment extract. This suggests that hazard and risk assessment of complex environmental mixtures should make increasing attempts to identify and consider hazardous key pollutants rather than focusing on a priori-selected key pollutants alone.

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Section: Resultsmentioning

confidence: 99%

Effect‐directed analysis of mutagens and ethoxyresorufin‐O‐deethylase inducers in aquatic sediments

Brack

Schirmer

Erdinger

et al. 2005

Enviro Toxic and Chemistry

130

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“…Polycyclic aromatic sulfur heterocycles (PASHs) are present in most petroleum and coal products, combustion products, air particulates, etc. [1][2][3]. There is considerable interest in the removal of sulfur-containing compounds from fossil fuels in order to decrease sulfur dioxide emissions.…”

Section: Introductionmentioning

confidence: 99%

Reaction Mechanisms and Kinetics of the O₂ Addition Pathways to the Main Thiophene-OH Adduct: A Theoretical Study

Shiroudi

Deleuze

2016

Progress in Reaction Kinetics and Mechanism

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Density functional theory, along with the ΩB97XD and UM06-2x exchange-correlation functional, has been used to study the reaction mechanisms and kinetics of the atmospheric oxidation of the main (kinetically dominant) thiophene-OH adduct [C4H4S-OH]• (R1) by molecular oxygen in its triplet electronic ground state. Kinetic rate constants and branching ratios under atmospheric pressure and in the fall-off regime have been calculated by means of transition state theory (TST), variational transition state theory (VTST) and statistical Rice–Ramsperger–Kassel–Marcus (RRKM) theory. In line with the computed energy profiles, the dominant process under both the thermodynamic and kinetic control of the reaction is O2 addition at the C5 position in syn mode. The computed branching ratios indicate that the regioselectivity of the reaction decreases with increasing temperature and decreasing pressure.

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Polycyclic aromatic sulfur heterocycles as information carriers in environmental studies

2006

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Polycyclic aromatic hydrocarbons (PAHs) play a huge role in environmental analytical chemistry, both as pollutants and as markers for many processes. On the other hand, polycyclic aromatic sulfur heterocycles (PASHs; heterocyclic compounds related to PAHs) have been studied far less intensely, but such studies may lead to a great deal of information not available through the study of PAHs. Here we discuss analytical aspects of PASHs in environmental matrices and their use as information carriers. Since PASHs accompany PAHs in sampling and work-up, it is not necessary to expend much extra analytical effort in order to analyze them. This work reviews how they can provide information on diverse processes such as petroleum, industrial and vehicular pollution, and sources of air and marine pollution.

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Identification and Quantification of Thiaarenes in the Flue Gas of Lignite-Fired Domestic Heating

Cited by 9 publications

References 21 publications

Effect‐directed analysis of mutagens and ethoxyresorufin‐O‐deethylase inducers in aquatic sediments

Effect‐directed analysis of mutagens and ethoxyresorufin‐O‐deethylase inducers in aquatic sediments

Reaction Mechanisms and Kinetics of the O₂ Addition Pathways to the Main Thiophene-OH Adduct: A Theoretical Study

Polycyclic aromatic sulfur heterocycles as information carriers in environmental studies

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Identification and Quantification of Thiaarenes in the Flue Gas of Lignite-Fired Domestic Heating

Cited by 9 publications

References 21 publications

Effect‐directed analysis of mutagens and ethoxyresorufin‐O‐deethylase inducers in aquatic sediments

Effect‐directed analysis of mutagens and ethoxyresorufin‐O‐deethylase inducers in aquatic sediments

Reaction Mechanisms and Kinetics of the O2 Addition Pathways to the Main Thiophene-OH Adduct: A Theoretical Study

Polycyclic aromatic sulfur heterocycles as information carriers in environmental studies

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Reaction Mechanisms and Kinetics of the O₂ Addition Pathways to the Main Thiophene-OH Adduct: A Theoretical Study