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Academic literature on the topic 'Aromatic compound'

Author: Grafiati

Published: 4 June 2021

Last updated: 17 February 2022

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Journal articles on the topic "Aromatic compound"

1

Pérez-Pantoja, Danilo, Pablo Leiva-Novoa, Raúl A. Donoso, Cedric Little, Margarita Godoy, Dietmar H. Pieper, and Bernardo González. "Hierarchy of Carbon Source Utilization in Soil Bacteria: Hegemonic Preference for Benzoate in Complex Aromatic Compound Mixtures Degraded by Cupriavidus pinatubonensis Strain JMP134." Applied and Environmental Microbiology 81, no. 12 (March 20, 2015): 3914–24. http://dx.doi.org/10.1128/aem.04207-14.

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ABSTRACTCupriavidus pinatubonensisJMP134, like many other environmental bacteria, uses a range of aromatic compounds as carbon sources. Previous reports have shown a preference for benzoate when this bacterium grows on binary mixtures composed of this aromatic compound and 4-hydroxybenzoate or phenol. However, this observation has not been extended to other aromatic mixtures resembling a more archetypal context. We carried out a systematic study on the substrate preference ofC. pinatubonensisJMP134 growing on representative aromatic compounds channeled through different catabolic pathways described in aerobic bacteria. Growth tests of nearly the entire set of binary combinations and in mixtures composed of 5 or 6 aromatic components showed that benzoate and phenol were always the preferred and deferred growth substrates, respectively. This pattern was supported by kinetic analyses that showed shorter times to initiate consumption of benzoate in aromatic compound mixtures. Gene expression analysis by real-time reverse transcription-PCR (RT-PCR) showed that, in all mixtures, the repression by benzoate over other catabolic pathways was exerted mainly at the transcriptional level. Additionally, inhibition of benzoate catabolism suggests that its multiple repressive actions are not mediated by a sole mechanism, as suggested by dissimilar requirements of benzoate degradation for effective repression in different aromatic compound mixtures. The hegemonic preference for benzoate over multiple aromatic carbon sources is not explained on the basis of growth rate and/or biomass yield on each single substrate or by obvious chemical or metabolic properties of these aromatic compounds.

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Foght, J. M., P. M. Fedorak, and D. W. S. Westlake. "Mineralization of [14C]hexadecane and [14C]phenanthrene in crude oil: specificity among bacterial isolates." Canadian Journal of Microbiology 36, no. 3 (March 1, 1990): 169–75. http://dx.doi.org/10.1139/m90-030.

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Bacteria isolated from freshwater, marine, and estuarine samples were tested for the ability to produce 14CO2 from n-[1-14C]hexadecane or [9-14C]phenanthrene added to Prudhoe Bay crude oil. Of 138 isolates tested, 54 (39%) mineralized the model aliphatic compound hexadecane and 6 (4%) mineralized the model aromatic compound phenanthrene. None mineralized both compounds. There was no apparent correlation between degradative ability and genus or source. Additional hydrocarbon-degrading bacteria from diverse sources were tested and found to mineralize either hexadecane or phenanthrene. Of 61 hexadecane- and 21 phenanthrene-mineralizing bacteria tested, none mineralized both model compounds. Selected isolates and commercially available cultures were tested for mineralization of specific 14C-labelled mono-, di-, and tri-cyclic aromatics. An apparent hierarchy of degradation was observed: strains mineralizing the mono- and di-cyclic aromatics toluene and naphthalene did not mineralize biphenyl or the tricyclic aromatics anthracene and phenanthrene, whereas those strains that mineralized the tricyclic aromatics also mineralized the smaller substrates. Similarly, not all n-alkane-mineralizing isolates tested mineralized the isoprenoid pristane. A combined culture consisting of one aliphatic- and one aromatic-degrading isolate was tested for mineralization of the model compounds and for degradation of other crude oil components by gas chromatography. No synergism or antagonism was observed compared with degradation by the individual isolates. Key words: aromatic, aliphatic, bioegradation, petroleum.

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Setiadi, Raka Nugraha Wijaya, and Danestyan Arif Pradana. "Producing monoaromatic compounds from pyrolytic vapour of rice straw using H-ZSM-5/B2O3 catalyst." E3S Web of Conferences 67 (2018): 02026. http://dx.doi.org/10.1051/e3sconf/20186702026.

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The catalytic conversion of rice straw was done to produce mono aromatic compounds. The mixed catalyst of ZSM-5 and B2O3 was obtained through calcination of ZSM-5 and H3BO catalyst mixture. The variation of the composition of the ZSM-5 and B2O3 catalyst was applied in order to test the effect of catalyst composition to the production of mono aromatics compounds. The composition of catalyst used were 15% ZSM-5, 30% ZSM-5, and 100% ZSM-5. Other than the variation of catalyst composition, the variation of the operating temperature of the catalytic conversion also performed in order to study the effect of the temperature to the production of mono aromatic compounds. The catalytic conversion was done at 450, 475, and 500 oC. Experimental results show that the addition of the catalyst resulted in the conversion of oxygenate compounds resulted from the pyrolytic process of rice straw into mono aromatic compounds. It also shows that using 100% ZSM-5 produced the highest yield of mono aromatics compounds. The amount of mono aromatic compounds produced will decrease, as the fraction of ZSM-5 catalyst used and operation temperature also decreased. Using the 100% ZSM-5, the mono aromatics compound with the highest yield is 1, 3 Dimethyl benzene or mxylene.

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Lee, Kilsung, Dae Young Kim, and Dong Young Oh. "Reaction of allyltrimethylsilane with an aromatic compound using hypervalent organoiodine compound: A new allylation of aromatic compounds." Tetrahedron Letters 29, no. 6 (1988): 667–68. http://dx.doi.org/10.1016/s0040-4039(00)80178-1.

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Hafiz, I. S. Abdel, A. A. Hassanien, and A. M. Hussein. "Alkyl Heteroaromatics as Building Blocks in Organic Synthesis: The Reactivity of Alkyl Azoles toward Electrophilic Reagents." Zeitschrift für Naturforschung B 54, no. 7 (July 1, 1999): 923–28. http://dx.doi.org/10.1515/znb-1999-0716.

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Oxazolone (1) couples with aromatic diazonium salts to yield the arylhydrazones (3a-c). Compound 3 reacts with aniline to give aryl hydrazone (5). Compound 5 was also obtained via converting 1 into the imidazolone (4) and subsequent treatment of 4 with aromatic diazonium salts. Compounds 1 and 12 reacted with arylidenemalononitrile (6) to yield compounds 8 and 14 respectively. Also compounds 1, 12 condensed with an aromatic aldehydes to yield 11 and 17. Compounds 11, 17 reacted further with one molecule of malononitrile to give compounds 8 and 14, respectively. Compound 20 which was generated in situ by heating phenacylthiocyanate (19) in acetic anhydride on treatment with hydrazine hydrate or phenyl hydrazine gives 21 and 22 respectively. A lso 20 reacted with malononitrile or with ethyl cyanoacetate to give 23 and 24, respectively.

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Matsumura, Tetsuko, Toru Ishikawa, and Junichi Kitajima. "Water-soluble constituents of caraway: aromatic compound, aromatic compound glucoside and glucides." Phytochemistry 61, no. 4 (October 2002): 455–59. http://dx.doi.org/10.1016/s0031-9422(02)00288-1.

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Pareek, S., J. I. Azuma, S. Matsui, and Y. Shimizu. "Degradation of lignin and lignin model compound under sulfate reducing condition." Water Science and Technology 44, no. 2-3 (July 1, 2001): 351–58. http://dx.doi.org/10.2166/wst.2001.0789.

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The release of depolymerization products of lignin during the degradation of lignocellulsic material under sulfate reducing condition was investigated. In addition, we investigated the fate of the most common (β-O-4) link present in lignin under sulfate reducing condition, using a lignin model compound. The method of investigation was based on the selective inhibition of microbial uptake of released aromatic phenolic compounds, depolymerization product of lignin, by toluene. Eight different aromatic phenolic compounds were identified. Until day 17 only 3 phenolic compounds were regularly detected, thereafter 7 aromatic phenolic compounds could be regularly identified. The accumulation of identified phenolic acid was not linear with time. The lignin model compound was completely degraded within 13 days when either Avicel cellulose or newspaper was present as alternate source of carbon. On the other hand when lignin model compound was present as the sole source of carbon, it took more than 22 days for its complete degradation. But in either case complete degradation of lignin model compound was observed. Four degradation by-products of lignin model compound were identified, but the two most significant compounds identified were vanillic acid and 3-methoxy-4-hydroxy benzene propionic acid. The GC/MS analysis of the degradation by products of lignin model compound indicated that β-O-4 link was cleaved under sulfate reducing condition and the presence of additional carbon source enhanced this process.

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Nogi, Keisuke, and Hideki Yorimitsu. "Aromatic metamorphosis: conversion of an aromatic skeleton into a different ring system." Chemical Communications 53, no. 29 (2017): 4055–65. http://dx.doi.org/10.1039/c7cc00078b.

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Rode, Milind, Sahebrao Rindhe, and Bhausaheb Karale. "Synthesis and biological activities of some indoline derivatives." Journal of the Serbian Chemical Society 74, no. 12 (2009): 1377–87. http://dx.doi.org/10.2298/jsc0912377r.

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The reaction of indoline with a substituted benzoyl chloride in the presence of K2CO3 in THF gave compound 4. Compound 4 was subjected to chlorosulphonation to obtain compound 5. Condensation of aromatic amines with compound 5 led to the synthesis of indoline derivatives 6(a-f). Similarly, 5-nitroindoline was treated with a substituted benzoyl chloride to obtain the nitro compound 9, which was reduced using stannous chloride and reacted further with aromatic sulphonyl chloride to obtain the indoline derivatives 11(a-e). These compounds were tested for antibacterial, anti-tuberculosis and antifungal activity. Some of them showed very good activity against some gram-positive and gram negative bacteria, fungal strains and also Mycobacterium tuberculosis. All of the synthesized compounds were subjected to antioxidant activity testing using the in vitro DPPH assay and most of them showed very good activity.

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Ueki, Toshiyuki. "Identification of a Transcriptional Repressor Involved in Benzoate Metabolism in Geobacter bemidjiensis." Applied and Environmental Microbiology 77, no. 19 (August 5, 2011): 7058–62. http://dx.doi.org/10.1128/aem.05516-11.

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ABSTRACTSubsurface environments contaminated with aromatic compounds can be remediatedin situbyGeobacterspecies. A transcription factor that represses expression ofbamA, a benzoate-inducible gene, inGeobacter bemidjiensisduring growth with acetate was identified. It is likely that this repressor also regulates other genes involved in aromatic compound metabolism.

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Dissertations / Theses on the topic "Aromatic compound"

1

Delcroix, Valerie A. "Aromatic compound degradation by cresol-utilizing Rhodococcus strains." Thesis, Queen's University Belfast, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.263367.

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Ferguson, John Alasdair Kerr Jamie. "Some sigmatropic rearrangements of polyfluoroaromatic and heteroaromatic compounds." Thesis, Durham University, 1986. http://etheses.dur.ac.uk/6870/.

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This Thesis describes some [3,3] and [2,3] -sigmatropic rearrangements that can occur in a variety of polyfluoroaromatic and -heteroaromatic compounds. The presence of fluorine on the aromatic moiety precludes the normal rearomatization process. The work is conveniently divided into two parts. Part A concerns the preparation and thermal (Claisen) rearrangement of derivatives of allyl 5-fluoropyrimidin-4-yl ether. These rearrange upon thermolysis to give isomers in which the terminus for the migration of the allyl group is N-3, provided that there is no preceding reaction which localises a double- bond between C-4 and C-5 - in which case C-5 is the migration terminus. Hydrolysis of some of the N-allyl derivatives results in the formation of some new derivatives of 5-fluorouracil. Part B describes the reactions that occur when polyfluor - inated monocyclic, polycyclic and heterocyclic ring systems are treated with dimethylsulphoxide activated by dicyclohexycarbodi-imide or by trifluoroacetic anhydride. Fluorinated phenolic type compounds give products which are the result of a [2,3] sigmatropic rearrangement of the derived sulphoniumylide. Fluorinated anilines and thiophenols behave differently. Dearomatization occurs under very mild conditions. A number of reactions of the fluorinated cyclohexa-2,4-dienone products are described. The preparation and attempted rearrangement of 2,3,4,5,6- pentafluorobenzylmethylsulphoxide is also discussed.

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Sherburn, Michael S. "Radicals and reactive rings." Thesis, University of Nottingham, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.277935.

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Cheong, C. L. "Substitution of polyhalogenoaromatic compounds by sterically hindered nucleophiles." Thesis, University of Salford, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376844.

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Taylor, J. M. "A study of the reaction of N-chloroamines with electron-rich aromatic compounds." Thesis, University of York, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.379028.

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6

Rehfuss, Marc Y. "Characterization and phylogenetic analysis of a phenol and halogenated aromatic compound degrading microbial consortium /." Search for this dissertation online, 2004. http://wwwlib.umi.com/cr/ksu/main.

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Takuya, Matsumoto. "Development of Novel Conjugated Compounds Based on Characteristics of Gallium Element." 京都大学 (Kyoto University), 2015. http://hdl.handle.net/2433/199329.

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Culka, Martin [Verfasser], and G. Matthias [Akademischer Betreuer] Ullmann. "Computational Modeling of Enzyme Reactions Involved in Aromatic Compound Metabolism / Martin Culka ; Betreuer: G. Matthias Ullmann." Bayreuth : Universität Bayreuth, 2017. http://d-nb.info/1147479453/34.

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Frazer, Andrew Richard. "Development of stable isotope probing for the isolation of biocatalytic genes from aromatic compound-degrading bacteria." Thesis, Queen's University Belfast, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.579722.

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This thesis described the development of DNA Stable Isotope Probing (SIP) with the goal of identifying microorganisms and genes involved in the metabolism of aromatic compounds. The research had three main components. Results have been presented in chapters 3, 4 and 5. • Chapter 3 focused on investigating the effect of growth on 2H labelled compounds, developing a method for the isolation of 2H labelled DNA and understanding the limitations of this approach using a range of pure cultures. • Chapter 4 describes experiments used to validate the 2H DNA SIP method using environmental samples and compare SIP results aiming to identify 16s rRNA and dioxygenase sequences using 2H and I3C labelled benzoic acid. • Chapter 5 utilised the methods developed in chapters 3 and 4 to investigate the organisms and genes involved in the degradation of naphthalene vs. methylnaphthalenes in a mixed enrichment culture inoculated with P AB contaminated soil from a former Belfast gas works site. The aim of these experiments was to demonstrate that 2H DNA SIP could be used to gain new information on methylated P AB microbiology and be used specifically for the isolation of biocatalytic genes. • Chapter 1 Presents an introduction to this research • Chapter 2 describes the materials and methods used during the course of this research. • Chapter 6 summarises the work as a whole, suggests future work and discusses the implications of this research in the wider scientific community. • Chapter 7 References

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Thomas, Philippe. "Impacts of Exposure to Polycyclic Aromatic Compounds (PACs) and Their Alkylated Congeners in North American River Otter (Lontra canadensis)." Thesis, Université d'Ottawa / University of Ottawa, 2020. http://hdl.handle.net/10393/40896.

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Polycyclic aromatic compounds (PACs) are a group of chemicals encompassing thousands of different aromatic, alkyl aromatic and heterocyclic hydrocarbons (i.e.- containing N, S, or O- atoms); 16 of which have been designated as priority pollutants due to their toxicity and prevalence. Several studies have highlighted increases in the concentrations of C1-C4 alkylated PACs and heterocyclic aromatic hydrocarbons such as dibenzothiophenes in the atmosphere, water, soil and sediments, plants, wildlife and fish in the Athabasca Oil Sands Region (AOSR). Although there has been considerable research attention related to the toxic, carcinogenic and mutagenic properties of PACs, there is an increasing awareness that these chemicals may also have profound endocrine disrupting properties in wildlife. North American river otter (Lontra canadensis) are good indicators of ecosystem health due to their ecology and sensitivity to environmental pollutants. In this thesis, we first demonstrated the utility of adopting paleotoxicological frameworks in defining environmental baseline levels of PACs and likely biological effects from exposure to these complex environmental mixtures. These methods allowed us to reconstruct historical PAC deposition patterns to impacted areas while simultaneously determining likely biological effects such as endocrine disruption. Next, we showed how PACs exhibited trophic dilution in a Boreal food chain dominated by river otters. Snails, prey and predator fish, as well as river otters were collected from four main study areas in the AOSR in northeastern Alberta, Canada. Bioaccumulation factors such as biota-sediment accumulation factors (BSAF) and trophic magnification factors (TMF) were used to evaluate the partitioning behavior of PACs in the environment and subsequent risks to biota. Our results revealed localized enrichment of certain PACs and subsequent metabolism in higher order vertebrates. Finally, we successfully combined ecotoxicological and physiological analyses paired with population genetic estimates to investigate endocrine disruption and population-level responses to exposure to PACs. River otters are known for their habitual use of latrine sites. Latrine sites represent a unique opportunity for biomonitoring programs to study river otters using indirect sampling methods. In this thesis, PACs were characterized and evaluated in sediment, lower and higher trophic biota with demonstrated impacts on endocrine processes and river otter population health. Effects-based assessments such as the ones presented in this thesis are more powerful for environmental monitoring programs than stressor-based assessment methods (such as describing presence/absence or levels of contaminants) as they provide greater biological context to monitoring data. In turn, these are helpful in selecting triggers for environmental effects monitoring or adaptive management programs.

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Books on the topic "Aromatic compound"

1

Uziel, Orit. Aromatic compound complement the cleavage defect of a mutant FLP protein. Ottawa: National Library of Canada, 1994.

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2

Fu, Jaw-Kwei. Pollutant sorption to soils and sediments in organic/aqueous solvent systems. Athens, GA: U.S. Environmental Protection Agency, Environmental Research Laboratory, 1985.

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Fu, Jaw-Kwei. Pollutant sorption to soils and sediments in organic/aqueous solvent systems. Athens, GA: U.S. Environmental Protection Agency, Environmental Research Laboratory, 1985.

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4

Saunders, K. H. Aromatic diazo compounds. 3rd ed. London: E. Arnold, 1985.

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5

Ebert, Lawrence B., ed. Polynuclear Aromatic Compounds. Washington, DC: American Chemical Society, 1987. http://dx.doi.org/10.1021/ba-1988-0217.

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IARC Working Group on the Evaluation of the Carcinogenic Risk of Chemicals to Humans (1984 Lyon, France). Polynuclear aromatic compounds. [Lyon, France]: International Agency for Research on Cancer, 1985.

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7

Sainsbury, M. Aromatic chemistry. Oxford: Oxford University Press, 1992.

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8

Aromatic chemistry. Oxford: Oxford University Press, 1992.

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9

Vančik, Hrvoj. Aromatic C-nitroso Compounds. Dordrecht: Springer Netherlands, 2013. http://dx.doi.org/10.1007/978-94-007-6337-1.

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Aromatic heterocyclic chemistry. Oxford: Oxford University Press, 1991.

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Book chapters on the topic "Aromatic compound"

1

Kitade, Yukihiro, Kazumi Hiraga, and Masayuki Inui. "Aromatic Compound Catabolism in Corynebacterium glutamicum." In Corynebacterium glutamicum, 323–37. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-39267-3_11.

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Kogure, Takahisa, Takeshi Kubota, and Masayuki Inui. "Aromatic Compound Production by Corynebacterium glutamicum." In Corynebacterium glutamicum, 339–70. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-39267-3_12.

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Wetterauer, B., E. Wildi, and M. Wink. "Production of the Anticancer Compound Camptothecin in Root and Hairy Root Cultures of Ophiorrhiza mungos L." In Biotechnological Approaches for Medicinal and Aromatic Plants, 303–41. Singapore: Springer Singapore, 2018. http://dx.doi.org/10.1007/978-981-13-0535-1_14.

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Oja, Vahur, and Eric M. Suuberg. "Vapor Liquid Equilibrium in Polycyclic Aromatic Compound Mixtures and in Coal Tars." In ACS Symposium Series, 113–22. Washington, DC: American Chemical Society, 2005. http://dx.doi.org/10.1021/bk-2005-0895.ch008.

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Dearden, J. C., and M. T. D. Cronin. "Quantitative Structure-Biodegradability Studies: An Investigation of the Miti Aromatic Compound Data-Base." In Biodegradability Prediction, 93–104. Dordrecht: Springer Netherlands, 1996. http://dx.doi.org/10.1007/978-94-011-5686-8_9.

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Seaton, Sarah C., and Ellen L. Neidle. "Chapter 10. Using Aerobic Pathways for Aromatic Compound Degradation to Engineer Lignin Metabolism." In Energy and Environment Series, 252–89. Cambridge: Royal Society of Chemistry, 2018. http://dx.doi.org/10.1039/9781788010351-00252.

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Yoon, Jang Hee, Euh Duck Jeong, Yoon Bo Shim, and Mi Sook Won. "Anodic Degradation of Toxic Aromatic Compound in the Flow Through Cell with Carbon Fiber Electrode." In Key Engineering Materials, 445–49. Stafa: Trans Tech Publications Ltd., 2005. http://dx.doi.org/10.4028/0-87849-958-x.445.

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Gill, M. "Aromatic Compounds." In The Chemistry of Natural Products, 60–105. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-2144-6_2.

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Agteren, Martin H., Sytze Keuning, and Dick B. Janssen. "Aromatic compounds." In Environment & Chemistry, 189–286. Dordrecht: Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9062-4_4.

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Lipnick, Robert L. "Aromatic compounds." In Studies of Narcosis, 130–47. Dordrecht: Springer Netherlands, 1991. http://dx.doi.org/10.1007/978-94-011-3096-7_9.

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Conference papers on the topic "Aromatic compound"

1

"Assessment of Formula-Based Structural Annotation of Humic Substances by Mild Chemical Derivatization and Mass Spectrometry." In Sixth International Conference on Humic Innovative Technologies "Humic Substances and Eco-Adaptive Technologies ”(HIT – 2021). Non-Commercial Partnership "Center for Biogenic Resources "Humus Sapiens" (NP CBR "Humus Sapiens"), 2021. http://dx.doi.org/10.36291/hit.2021.mikhnevich.002.

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Natural organic matter (NOM) plays an important role in the environment and its chemical properties and molecular composition reflect balance between mineralization and sequestration of organic carbon. Ultrahigh resolution mass spectrometry (e.g., FTICR MS) provides essential molecular information about NOM. However, NOM molecular heterogeneity prevents application of tandem MS experiments and direct structural information is ultimately missing leaving opportunities to only ambiguous formula-based annotation. The main aim of this work was to develop a chemical workflow to reliably examine the accuracy of several FTICR MS-derived structural indices with the focus on aromaticity and O-functional groups, which greatly impact compound properties. Four NOM samples of different origin (coal, oxidized lignin, river, and permafrost thaw) were brominated by NBS in acetonitrile for 24 hrs at RT. Carboxylic groups in all samples were determined by selective deuteromethylation using CD 3OD/SOCl2 reaction and by HATU amidation with 15N labeled glycine. Carbonyl groups were reduced by NaBD4. All parent and labeled mixtures were analyzed by ESI FTCR MS. Custom python scripts were developed to treat spectra and enumerate specific structural moieties in individual components. Obtained data was used to assess reliability of exact aromaticity indices (AI)1 and aromaticity equivalents (Xc) 2. Lignin- and coal-derived samples turned out to be the most sensitive to bromination which corroborated with the model phenolic structures. On contrary, permafrost thaw, which is enriched with labile species, was mostly resistant to bromination - 22% of molecular ions were brominated. Moreover, unlike oxidized riverine sample, coal NOM included polybrominated species, which implies that reaction efficiency depends on reactivity (i.e. substituents) of aromatic fragments. Samples were characterized by drastically different bromine distributions on van Krevelen diagrams, which correlated with the distribution of non-carboxylic oxygen atoms. Further, we compared AI and Xc aromaticity indices in terms of the proportion of correctly assigned aromatics. The data on brominated molecules were in good agreement with the AI values; however, apparently AI tends to overestimate the number of non-aromatics in the sample since it describe averaged aromaticity rather than the factual presence of aromatic ring. On the other hand, Xc perfectly recognized non-aromatics. In general, a higher proportion of correctly attributed aromatics was observed for the aromaticity equivalent Xc (up to 68%), which tends to find aromatic moieties in non-aromatic molecules assigned by AI. Still, we observed a number of aromatic- and condensed aromatic-assigned compounds, which were resistant to bromination or included lesser Br-atoms than the evaluated number of aromatic rings. Reaction with NaBD4 and enumeration of labeling series revealed the presence of carbonyl groups in these species, which in case of multiple reducing could be reliably assigned to quinone – condensed non-aromatic compounds. The approach may be of great importance in biogeochemical and medicinal studies of NOM. Acknowledgements. This work was supported by the Russian Science Foundation gran No 21-47-04405. References 1. Zherebker, A., Lechtenfeld, O. J., Sarycheva, A., Kostyukevich, Y., Kharybin, O., Fedoros, E. I. and Nikolaev, E. N. Anal. Chem., 2020, 92 (13), 9032-9038; 2. Yassine, M.M., Harir, M., Dabek-Zlotorzynska, E. and Schmitt-Kopplin, P. Rapid Commun. Mass Spectrom., 2014, 28, 2445-2454.

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Sumiardi, Ade, Endang Sutariningsih Soetarto, and Dwi Susilaningsih. "Screening and characterization of biosurfactant produced by bacterial consortium in degrading polycyclic aromatic hydrocarbon compound." In INVENTING PROSPEROUS FUTURE THROUGH BIOLOGICAL RESEARCH AND TROPICAL BIODIVERSITY MANAGEMENT: Proceedings of the 5th International Conference on Biological Science. Author(s), 2018. http://dx.doi.org/10.1063/1.5050097.

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Vijlee, Shazib Z., Igor V. Novosselov, and John C. Kramlich. "Effects of Composition on the Flame Stabilization of Alternative Aviation Fuels in a Toroidal Well Stirred Reactor." In ASME Turbo Expo 2015: Turbine Technical Conference and Exposition. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/gt2015-43014.

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The use of alternative/synthetic fuels in jet engines requires improved understanding and prediction of flame stabilization envelopes relative to the behavior of conventional fuels. Previous studies using the Toroidal Well Stirred Reactor (TWSR) found that synthetic alternatives to JP8 behave similarly in terms of lean flameout, but there is significant difference in the flameout behavior of a highly aliphatic fuel versus that of a highly aromatic fuel. Detailed computational fluid dynamics (CFD) and chemical reactor modeling (CRM) is necessary to understand differences in flame stabilization. The first portion of this study employs CFD models of the TWSR with reduced methane combustion chemistry. The models provide insight into the mechanism of flame stabilization inside the reactor as equivalence ratio is decreased to flameout. The CFD domain is expanded over earlier published TWSR CFD studies to capture previously unknown asymmetrical flame behavior. The Reynolds Stress Model (RSM) is used for turbulence closure, and the Eddy Dissipation Concept (EDC) model is used to include turbulence-chemistry interaction. The CFD results show that radical species (specifically OH) are transported around the reactor to interact with the incoming premixed fuel-air jet and initiate chain branching reactions. As the equivalence ratio decreases, and flameout is approached, the species concentration in the reactor becomes less homogenous. Radical production is delayed and eventually insufficient radical concentrations are available to ignite the incoming jet. The production and transport of radical species throughout the reactor are, thus, responsible for stabilizing the flame. CFD and PSR studies with methane agree that the radical behavior dictates blowout. The second portion of this study focuses on the importance of radical species in flame stabilization, but now employs a single perfectly stirred reactor (PSR) model, which allows the study of detailed chemistry for individual components of jet fuel. An aliphatic compound (iso-octane) and an aromatic compound (toluene) are used as investigative fuels to compare the differences in the chemical kinetic behavior of blowout for aliphatic versus aromatic fuel classes. The models show that the rates at which radical species (O, H, and OH) destroy the original fuel molecule are significantly different for iso-octane and toluene. During combustion, the radical destruction of toluene is much slower than for iso-octane at a constant temperature. In PSR systems, the toluene flame blows out at a higher temperature because a higher temperature is needed to provide sufficient radical concentrations and reaction rates to maintain a stable flame.

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Costa, Rogério F., Antônio S. N. Aguiar, Igor D. Borges, Ricardo Ternavisk, Clodoaldo Valverde, Ademir J. Camargo, Delson Braz, Hamilton B. Napolitano, and Solemar S. Oliveira. "The influence of Chloride Shift Position on hydroxychlorochalcone." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202037.

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This work describes molecular structures of chalcones 2'-Hydroxy-4',6'-dimethyl-2-chlorochalcone and 2'-Hydroxy-4',6'-dimethyl-4-chlorochalcone and overlap of these structures in order to detect the change in planarity. The Hirshfeld Surface analysis to investigate when the position of the atom the chlorine in the aromatic ring is changed and how does this change influence in the properties of the organic compound. The geometric molecular were obtained through the DFT/M06-2X/6-311++G(2d, 2p) theory level. Frontier Molecular Orbital, NBO and MEP map were determined, in order to observe the information related to charge transfer in the molecule. The interactions between the molecules were verified with the aid of QTAIM.

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Nakatsuka, Noriaki, Yasushi Imoto, Jun Hayashi, Miki Taniguchi, Kenichi Sasauchi, Mayumi Matsuda, and Fumiteru Akamatsu. "Decomposition of Toluene as a Biomass Tar Through Partial Combustion." In ASME/JSME 2011 8th Thermal Engineering Joint Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/ajtec2011-44159.

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For the electric power generation by the woody biomass gasification, tar is incidentally formed at the same time. Tar means a compound of many kinds of aromatic hydrocarbons and causes some troubles, for example, clogging pipes when it is cooled and condensed before being supplied to the gas engine for electric power generation. One way for reducing tar is oxidative and thermal cracking by partial combustion of the producer gas in the gas reformer that is a stage subsequent to the biomass gasifier. During the partial combustion process of the producer gas, inverse diffusion flame is formed when oxidizer is supplied to producer gas. Cracking and polymerization of tar occur simultaneously at the proximity of the inverse diffusion flame. This polymerization of tar into soot is, however, a significant problem in the gas reformer. Experimental study was performed to clarify the effect of hydrogen concentration in the combustion region on soot formation and the growth of polycyclic aromatic hydrocarbons (PAHs) that is precursor of soot. In the present study, hydrogen concentration at the proximity of the inverse diffusion flame was controlled by the small amount of hydrogen addition to the oxidizer. The main results were as follows. Soot formation was suppressed by the small amount of hydrogen addition (approximately 0.5% to the total enthalpy of the producer gas). The suppression of soot formation was caused by higher concentration of hydrogen at the proximity of the combustion region since the aromatic radicals were neutralized before they could combine together or with acetylene. Carbon yield was increased with the increase in the amount of hydrogen added to the oxidizer as carbon content in the undetectable components by the integrated gas chromatograph such as the soot was decreased. In addition, the increase of carbon yield resulted mainly from the increase in carbon monoxide stemmed from reforming of high-boiling components such as soot.

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Cangussu, Arthur Henrique Magela, and Leonardo Baptista. "Estudo teórico da nitração de anéis aromáticos em fase gasosa." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2002. http://dx.doi.org/10.21826/viiiseedmol202013.

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Nitro-aromatics compounds are more toxic and cancerous than their aromatics parents. Unfortunately, these compounds were identified in Diesel engines emissions and in particulate matter collected in urban areas. By these reasons, the present project aims to investigate the gas phase mechanism of the aromatic nitration following two proposals found in the literature. The proposed mechanisms have been studied by methods based on density functional theory: M06-2X, B3LYP and B2PLYP. Further, the electronic energy of all molecules that take part in the mechanism has been corrected by CCSD(T) method. All study was performed with cc-pVTZ basis set. The results showed that reactions between phenil radical and NO2 proceeds without a barrier forming a vibrational and rotational excited nitrobenzene. The evaluated Arrhenius parameters indicates that the formation of benzene nitrite is faster than the formation of nitrobenzene, while the reaction path initialized by OH addition to the aromatic ring, it is only important at high temperatures. The partial results indicate the formation of nitrophenol during the combustion, in agreement with experimental evidences.

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Canteenwalla, Pervez, Craig R. Davison, Wajid A. Chishty, Cynthia Ginestra, and Brice Dally. "Testing of Synthesized Aromatic Kerosene (SAK) Aviation Fuel Blends at Simulated Altitudes." In ASME Turbo Expo 2016: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/gt2016-57570.

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A number of pathways for producing new alternative fuels are emerging. One such fuel is Hydrodeoxygenated Synthesized Aromatic Kerosene (HDO-SAK) which is composed of approximately 95% mono-aromatic compounds. This fuel is intended as a blending component to increase the aromatic content of other synthetic fuels that do not contain aromatic compounds and can be used to create either semi-synthetic or fully-synthetic jet fuel for use in aviation. This paper presents the results of engine tests using the HDO-SAK blended with Synthesized Paraffinic Kerosene from Hydroprocessed Esters and Fatty Acids (HEFA-SPK) to create a fully-synthetic fuel with aromatic content that matched that of a comparison conventional jet fuel. Both the HDO-SAK blended fuel and conventional Jet A were tested in a Microturbo TRS-18 turbojet engine at a range of engine conditions and simulated altitudes up to 8,600 m in the National Research Council Canada (NRC) Research Altitude Test Facility (RATFac). This paper details the engine performance results from this testing which represents the first time this particular alternative fuel has been tested in an engine.

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Leparoux, Julien, Renaud Lecourt, and Olivier Penanhoat. "Effect of Aromatics in Jet Fuels on Spray Characteristics Downstream of an Aeronautical Pressure Swirl Atomizer." In ASME Turbo Expo 2016: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/gt2016-56565.

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Standard aeronautic fuels have a lower limit of aromatics of 8% (by volume) with about 18% for regular Jet A1. It has been shown that aromatics contained in Jet fuel have an impact on the fine particle emissions. In order to reduce these emissions, alternative fuels with lower aromatic content have been identified as a promising solution. Change Jet fuel composition can have several effects on spray and combustion behaviors, among others: atomization process, droplet evaporation, flame structure, pollutant and particle emissions. Then, it is necessary to evaluate the impact of this change on gas turbine performance and operability. The present study is focused on the spray behavior investigation with different aromatic content. Four Jet fuels are investigated including conventional Jet A1 kerosene, drop-in fuel with a mixture of half conventional Jet fuel and synthetic paraffinic kerosene (SPK), SPK with 8% of aromatics and pure SPK. The tests are performed at atmospheric conditions on the MERCATO testbed located at ONERA (FR). Phase Doppler Anemometry (PDA) measurements are carried out for the four fuels on an injection system composed of a pressure swirl atomizer and an air swirler. In this paper, a spray analysis of liquid velocity and droplet diameter measurements is described and linked to the variations of fuel properties. In the range of parameters covered by the four different fuels, it is shown that the spray behavior of each fuel is similar to the conventional Jet A1.

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Berry, David A., Dushyant Shekhawat, Todd H. Gardner, Maria Salazar, Daniel J. Haynes, and James J. Spivey. "Support Effects for Pt and Rh-Based Catalysts for Partial Oxidation of n-Tetradecane." In ASME 2006 4th International Conference on Fuel Cell Science, Engineering and Technology. ASMEDC, 2006. http://dx.doi.org/10.1115/fuelcell2006-97265.

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Catalytic partial oxidation (CPOX) of liquid fuels is an attractive option for producing a hydrogen-rich gas stream for fuel cell applications. However, the high sulfur content along with aromatic compounds present in liquid fuels may deactivate reforming catalysts. Deactivation of these catalysts by carbon deposition and sulfur poisoning is a key technical challenge. The relationship between catalyst supports and deactivation have been studied here for three catalysts (Rh/Ce0.5Zr0.5O2, Pt/Ce0.5Zr0.5O2, and Pt/Al2O3) in a fixed bed catalytic reactor using a mixture of n-tetradecane, 1-methylnaphthalene, and dibenzothiophene to simulate logistic fuels. Carbon production during CPOX reforming was directly related to olefin formation. Olefins, which are known coke precursors, were observed on the Pt catalysts during CPOX of n-tetradecane with no sulfur (particularly from Pt/Al2O3), but not on Rh/Ce0.5Zr0.5O2. For the Rh/Ce0.5Zr0.5O2, yields of H2 and CO dropped to a stationary level after the introduction of sulfur-containing feed (1000 ppm sulfur) or aromatic-containing feed (5 wt%), however, the catalyst activity was restored after removing the sulfur or aromatics from the feed. For the Pt catalysts, H2 and CO yields dropped continuously over time in the presence of sulfur or aromatics in feed. The superior performance of Rh/Ce0.5Zr0.5O2 can be attributed to the higher oxygen-ion conductivity of the Ce0.5Zr0.5O2 support as well as the activity of the Rh sites.

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Wood, C. P., and G. S. Samuelsen. "The Performance of a Surrogate Blend in Simulating the Sooting Behavior of a Practical, Distillate JP-4." In ASME 1988 International Gas Turbine and Aeroengine Congress and Exposition. American Society of Mechanical Engineers, 1988. http://dx.doi.org/10.1115/88-gt-194.

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A surrogate fuel has been developed to simulate the atomization and combustion performance of a practical, petroleum distillate JP-4. The surrogate is comprised of fourteen pure hydrocarbons and formulated to reproduce the distillation curve and compound class composition of the parent petroleum distillate fuel. In previous work, the atomization performance (evaluated in terms of the atomization quality in an isothermal chamber), and the combustion performance (evaluated in terms of the mean axial velocity and thermal fields in a spray-atomized, swirl-stabilized, model laboratory combustor) were found to be equivalent for the petroleum and surrogate JP-4. The present study addresses the sooting performance of the two fuels, as well as that of two reference fuels (isooctane and a high aromatic petroleum JP-5) of purposefully disparate properties. The sooting performance of the petroleum and surrogate JP-4 are nearly identical, and distinctly different from that of either the isooctane or the JP-5. The surrogate represents, as a result, an attractive fuel blend for the study of fuel compositional effects on the combustion performance of practical fuels in a spray-fired combustor.

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Reports on the topic "Aromatic compound"

1

Boyd, S. A., and J. M. Tiedje. Dechlorination of Aromatic Xenobiotic Compounds by Anaerobic Microorganisms. Fort Belvoir, VA: Defense Technical Information Center, July 1988. http://dx.doi.org/10.21236/ada203642.

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Gracy Elias. REACTIVITY OF RADIOLYTICALLY-PRODUCED NITROGEN OXIDE RADICALS TOWARD AROMATIC COMPOUNDS. Office of Scientific and Technical Information (OSTI), May 2010. http://dx.doi.org/10.2172/991893.

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Gibson, J. (Anaerobic metabolism of aromatic compounds by phototrophic bacteria: Biochemical aspects). Office of Scientific and Technical Information (OSTI), January 1989. http://dx.doi.org/10.2172/7066950.

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Leibman, C. P. Seconday ion mass spectrometry of aromatic compounds in acidic mixtures. Office of Scientific and Technical Information (OSTI), June 1988. http://dx.doi.org/10.2172/6291161.

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McInerney, M. J. Effect of community structure on the kinetics of anaerobic degradation of aromatic compounds. Office of Scientific and Technical Information (OSTI), November 1990. http://dx.doi.org/10.2172/6157698.

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McInerney, M. Effect of community structure on the kinetics of anaerobic degradation of aromatic compounds. Office of Scientific and Technical Information (OSTI), November 1989. http://dx.doi.org/10.2172/5443839.

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Wear, Jr., John Edmund. Environmental diagnostic analysis of ground water bacteria and their involvement in utilization of aromatic compounds. Office of Scientific and Technical Information (OSTI), May 1993. http://dx.doi.org/10.2172/10136853.

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Wear, J. E. Jr. Environmental diagnostic analysis of ground water bacteria and their involvement in utilization of aromatic compounds. Office of Scientific and Technical Information (OSTI), May 1993. http://dx.doi.org/10.2172/6726984.

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Wilson, M. F., I. P. Fisher, and J. F. Kriz. Hydrogenation of aromatic compounds in synthetic crude distillates catalyzed by sulfided Ni-W/yAl 2O3. Natural Resources Canada/ESS/Scientific and Technical Publishing Services, 1985. http://dx.doi.org/10.4095/302530.

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Eskay, T. P., P. F. Britt, and A. C. III Buchanan. Pyrolysis of simple coal model compounds containing aromatic carboxylic acids: Does decarboxylation lead to cross-linking? Office of Scientific and Technical Information (OSTI), February 1996. http://dx.doi.org/10.2172/197833.

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