Journal articles: 'Aromatic compound'

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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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7

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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9

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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10

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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11

Wang, Guangli, Rong Li, Shunpeng Li, and Jiandong Jiang. "A Novel Hydrolytic Dehalogenase for the Chlorinated Aromatic Compound Chlorothalonil." Journal of Bacteriology 192, no. 11 (April 2, 2010): 2737–45. http://dx.doi.org/10.1128/jb.01547-09.

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ABSTRACT Dehalogenases play key roles in the detoxification of halogenated aromatics. Interestingly, only one hydrolytic dehalogenase for halogenated aromatics, 4-chlorobenzoyl-coenzyme A (CoA) dehalogenase, has been reported. Here, we characterize another novel hydrolytic dehalogenase for a halogenated aromatic compound from the 2,4,5,6-tetrachloroisophthalonitrile (chlorothalonil)-degrading strain of Pseudomonas sp. CTN-3, which we have named Chd. Chd catalyzes a hydroxyl substitution at the 4-chlorine atom of chlorothalonil. The metabolite of the Chd dehalogenation, 4-hydroxy-trichloroisophthalonitrile, was identified by reverse-phase high-performance liquid chromatography (HPLC), tandem mass spectrometry (MS/MS), and nuclear magnetic resonance (NMR). Chd dehalogenates chlorothalonil under anaerobic and aerobic conditions and does not require the presence of cofactors such as CoA and ATP. Chd contains a putative conserved domain of the metallo-β-lactamase superfamily and shows the highest identity with several metallohydrolases (24 to 29%). Chd is a monomer (36 kDa), and the isoelectric point (pI) of Chd is estimated to be 4.13. Chd has a dissociation constant (Km ) of 0.112 mM and an overall catalytic rate (k cat) of 207 s−1 for chlorothalonil. Chd is completely inhibited by 1,10-phenanthroline, diethyl pyrocarbonate, and N-bromosuccinic acid. Site-directed mutagenesis of Chd revealed that histidines 128 and 157, serine 126, aspartates 45, 130 and 184, and tryptophan 241 were essential for the dehalogenase activity. Chd differs from other reported hydrolytic dehalogenases based on the analysis of amino acid sequences and catalytic mechanisms. This study provides an excellent dehalogenase candidate for mechanistic study of hydrolytic dehalogenation of halogenated aromatic compound.

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12

Mendoza, Leonora, Marcela Vivanco, Ricardo Melo, Paulo Castro, Ramiro Araya-Maturana, and Milena Cotoras. "Detoxification Mechanism of 8,8-Dimethyl-3-[(R-phenyl)amino]-1,4,5(8H)-naphthalentrione Derivatives by Botrytis cinerea." Molecules 24, no. 3 (February 2, 2019): 544. http://dx.doi.org/10.3390/molecules24030544.

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The effect of 8,8-dimethyl-3-[(R-phenyl)amino]-1,4,5(8H)-naphthalentrione derivatives (compounds 1–13) on the mycelial growth of Botrytis cinerea was evaluated. The fungitoxic effect depended on the substituent and its position in the aromatic ring. Compounds substituted with halogens in meta and/or para positions (compounds 3, 4, 5 and 7), methyl (compounds 8 and 9), methoxyl (compounds 10 and 11), or ethoxy-carbonyl groups (compound 12) presented higher antifungal activity than compound 1, which had an unsubstituted aromatic ring. In addition, compounds with halogens in the ortho position, such as compounds 2 and 6, and a substitution with an acetyl group in the para position (compound 13) were less active. The role of the ABC efflux pump Bctr B-type as a defense mechanism of B. cinerea against these naphthalentrione derivatives was analyzed. This pump could be involved in the detoxification of compounds 2, 6, and 13. On the contrary, this mechanism would not participate in the detoxification of compounds 1, 7, 9 and 12. Finally, the biotransformation of compound 7 by B. cinerea was studied. A mixture of two biotransformed products was obtained. One of them was compound 7A, which is reduced at C1 and C4, compared to compound 7. The other product of biotransformation, 7B, is oxidized at C7.

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Gomes, Ligia R., John N. Low, Alan B. Turner, Alexander W. Nowicki, Thomas C. Baddeley, and James L. Wardell. "Crystal structures and Hirshfeld surface analyses of a des-A-B-aromatic steroidal compound, and two of its derivatives, having a trans-2,3,4,5-tetrahydro-3a-methyl-7-methoxybenz[e]indane skeleton – structural comparisons with reported tetrahydrobenz[e]indene derivatives." Zeitschrift für Naturforschung B 74, no. 9 (September 25, 2019): 649–63. http://dx.doi.org/10.1515/znb-2019-0094.

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AbstractThe crystal structures and Hirshfeld surface analyses of the des-A-B-aromatic steroid derivative, (3a,9b)-1,2,3a,4,5,9b-hexahydro-7-methoxy-3a-methyl-3H-benz[e]-inden-3-one (or 5-methoxy-des-A-estra-5,7,9-triene-17-one) 1, its acetohydrazide derivative, 2, and its hydrazone derivative, 3, are reported. All three compounds crystallize in chiral space groups: compounds 1 and 2 in the orthorhombic space group P212121 each with one molecule in the asymmetric unit, and compound 3 in the monoclinic space group P21 with two similar but independent molecules, Mol A and Mol B, in the asymmetric unit. Both the five-membered and six-membered non-aromatic rings in all three compounds have envelope or near envelope shapes. In compounds 2 and 3 the N=N units have (E)-arrangements. The intermolecular interactions in crystals of compound 1 are C–H · · · O hydrogen bonds and C–H · · · π interactions, in compound 2 N–H · · · O and C–H · · · O hydrogen bonds and C–H · · · π interactions are present, while in compound 3 there are just C–H · · · π interactions. An important substructure in 1 is a sheet of molecules, composed of ${\rm{R}}_6^6(44)$ rings, formed from C–H · · · O(methoxy) and C–H · · · O(carbonyl) hydrogen bonds, the molecules of which form columns linked via the B and D rings, i.e. in a head-to-tail fashion. Compound 2 is an acylhydrazonyl compound, in which the two independent molecules are linked into asymmetric dimers via strong classical N–H · · · O hydrogen bonds, with the formation of ${\rm{R}}_2^2(8)$ rings. In both 1 and 2, further intermolecular interactions result in 3-dimensional structures, while compound 3 has a 1-dimensional structure arising from C–H · · · O interactions generating spiral chains. The results have been compared with existing data.

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NIE, YI, and XIANGAI YUAN. "THEORETICAL STUDY ON INTERACTION BETWEEN IONIC LIQUIDS AND AROMATIC SULFUR COMPOUNDS." Journal of Theoretical and Computational Chemistry 10, no. 01 (February 2011): 31–40. http://dx.doi.org/10.1142/s0219633611006268.

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It is important to understand how ionic liquids interact with aromatic sulfur compounds in view of ionic liquids application in desulfurization from fuels. Ion pairs of N, N-dialkylimidazolium dialkylphosphate ionic liquids were optimized at the Becke3LYP level of density functional theory. The most stable geometries were obtained. The stable ion pairs indicate there exist hydrogen bonding interactions between them. The calculated interaction energies of ion pairs were found to increase in magnitude with decreasing alkyl chain length, and with decreasing anionic radius. Furthermore, the interactions between the IL and aromatic sulfur compound, and benzene molecule were investigated. The results indicate that there exist hydrogen bonds between them. The calculated interaction energy between IL and sulfur compound is larger than that between IL and benzene. The aromatic ring π - π interaction and hydrogen bonding interaction may be the dominant factors to influence the trend of interaction between ILs and aromatic sulfur compounds.

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Gupta, Vivek Kumar, Baljeet Kaur, Amandeep Kaur, Amanpreet Kaur, and Monika Gupta. "Synthesis and Biological Evaluation of 1,3,4-Oxadiazolyl benzenesulphonyl benzimidazole derivatives." Indian Journal of Pharmaceutical and Biological Research 6, no. 02 (June 30, 2018): 64–71. http://dx.doi.org/10.30750/ijpbr.6.2.10.

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Oxadiazoles are a class of heterocyclic aromatic chemical compound of azole family. Oxadiazole is five membered heterocycle having two carbons, two nitrogen, one oxygen and two double bonds. Oxadiazole exists in four isomeric forms depending upon the position of nitrogen atom in the ring. Benzimidazole is a heterocyclic aromatic compound. This bicyclic compound consists of fusion of benzene and imidazole. Benzimidazole may also be considered as cyclic analogues of imidines due to tautomerism effect. In the present study involves synthesis of1,3,4-oxadiazolyl benzenesulphonylbenzimidazole derivatives. All the synthesized compounds were screened against HepG-2 cell line to determine the growth inhibitory effect of compounds.All the synthesized compounds possessed good to moderate anti-cancer activity as compare to standard drug Adriamycin. Two of the synthesized compounds i.e. 8a and 8f were found to possess maximum anti-cancer activity.The structures of the synthesized compounds were established by IR and 1HNMR.

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Brown-Woodman, PDC, IG White, and DD Ridleye. "Antifertility Activity and Toxicity of a-Chlorohydrin Aromatic Ketal Analogues in Male Rats." Australian Journal of Biological Sciences 39, no. 2 (1986): 187. http://dx.doi.org/10.1071/bi9860187.

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The antifertility activity and toxicity of a-chlorohydrin and seven aromatic ketal derivatives were investigated in male rats. At a dose of 5 mg/kg injected intraperitioneally.each day for 14 days, a-chlorohydrin and the methoxy benzaldehyde derivative (compound 2) produced complete infertility. The benzaldehyde derivative (compound 1) was 89% effective and the other five compounds 71-25% effective. All compounds except the least effective antifertility agent, the methylbenzaldehyde derivative (compound 3), reduced the motility of sperm recovered from the epididymis. None of the compounds caused a decrease in body or testes weight but some increased adrenal weight.

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Sulistyo, Joko, Toshimitsu Hata, Sensho Honma, Ryohei Asakura, and Sri Nugroho Marsoem. "Green Aromatics from Catalytic Fast Pyrolysis of Fast Growing Meranti Biomass." Wood Research Journal 4, no. 1 (April 19, 2017): 13–18. http://dx.doi.org/10.51850/wrj.2013.4.1.13-18.

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The study on catalytic pyrolysis decomposition of Shorea leprosula wood biomass to form aromatic compounds in fast pyrolysis was performed by pyrolytic-gas chromatography/mass spectroscopy (Py-GC/MS) and transmission electron microscope (TEM) - electron energy-loss spectroscopy (EELS) to analyze the chemical compound and solid residue microstructure. Py-GC/MS and TEM-EELS analysis showed that the fast pyrolysis increased the decomposition of hardwood, in which in the presence of ZSM-5 catalyst, the liquid products from wood decomposition was then diffused into the pore of ZSM-5 catalyst to form aromatics including benzene, toluene, styrene, naphthalenes and indanes. The carbonaceous solid compounds or cokes were not deposited on the surface of pores of ZSM-5 catalyst in the fast pyrolysis, as shown by the EELS spectrum that exhibited no detection of any solid carbonaceous compound in the solid residue.

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Assali, Mohyeddin, Murad Abualhasan, Hadeel Sawaftah, Mohammed Hawash, and Ahmed Mousa. "Synthesis, Biological Activity, and Molecular Modeling Studies of Pyrazole and Triazole Derivatives as Selective COX-2 Inhibitors." Journal of Chemistry 2020 (March 24, 2020): 1–14. http://dx.doi.org/10.1155/2020/6393428.

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Series of diaryl-based pyrazole and triazole derivatives were designed and synthesized in a facile synthetic approach in order to produce selective COX-2 inhibitor. These series of derivatives were synthesized by different reactions like Vilsmeier–Haack reaction and click reaction. In vitro COX-1 and COX-2 inhibition studies showed that five compounds were potent and selective inhibitors of the COX-2 isozyme with IC50 values in 0.551–0.002 μM range. In the diarylpyrazole derivatives, compound 4b showed the best inhibitory activity against COX-2 with IC50 = 0.017 μM as one of the N-aromatic rings was substituted with sulfonamide and the other aromatic ring was unsubstituted. However, when the N-aromatic ring was substituted with sulfonamide and the other aromatic ring was substituted with sulfone (compound 4d), best COX-2 selectivity was achieved (IC50 = 0.098 μM, SI = 54.847). In the diaryltriazole derivatives, compound 15a showed the best inhibitory activity in comparison to all synthesized compounds including the reference celecoxib with IC50 = 0.002 μM and SI = 162.5 as it could better fit the extra hydrophobic pocket which is present in the COX-2 enzyme. Moreover, the docking study supports the obtained SAR data and binding similarities and differences on both isozymes.

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Examinati, R. R. Indry Noviarin, Asri Peni Wulandari, Desi Harneti Putri Huspa, and Poniah Andayaningsih. "CYTOTOXICITY OF AROMATIC COMPOUND FROM AN ENDOPHYTIC FUNGUS, CLADOSPORIUM SP. EN-S01." International Journal of Current Pharmaceutical Research 10, no. 6 (November 30, 2018): 10. http://dx.doi.org/10.22159/ijcpr.2018v10i6.30964.

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Objective: Endophytes have the potential to synthesize various bioactive secondary metabolites. The aims of the study were to isolate the major compound from endophytic Cladosporium sp. EN-S01., identify its function group, then evaluate its cytotoxicity.Methods: The endophytic fungus was grown in potato dextrose broth and extracted using ethyl acetate. Secondary metabolites were isolated by chromatographic separation and re-crystallization, and function group was determined by infrared spectroscopy. In vitro cytotoxicity was evaluated by the prestoblue assay.Result: The isolated aromatic compound evaluated by prestoblue assay against breast cancer cell line MCF-7 showed cytotoxicity with IC50 value of 746,03 ppm.Conclusion: Our findings indicate this aromatic compound might be useful lead compounds to develop cytotoxic drugs.

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Kantlehner, Willi, Erwin Haug, Oliver Scherr, Edmont V. Stoyanov, Jochen Mezger, and Georg Ziegler. "Orthoamide, LX [1]. N,N,N’,N’-Tetraformylhydrazin – ein breit anwendbares Formylierungsmittel für aromatische Verbindungen / Orthoamide, LX [1]. N,N,N’,N’-Tetraformylhydrazine – a Formylation Agent for Aromatic Compounds of Wide Scope." Zeitschrift für Naturforschung B 59, no. 4 (April 1, 2004): 357–65. http://dx.doi.org/10.1515/znb-2004-0402.

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KeywordsThe reagent system formed from N,N,N’,N’-tetraformylhydrazine (3) and aluminum chloride allows the formylation of aromatic compounds. The scope of the method is comparable with the Olah formylation and the Groß-Rieche procedure, since benzene and fluorobenzene can be formylated. Two formyl groups are transferred from 3 to the aromatic nuclei when a molar ratio 4:1:4 (aluminum chloride/3/aromatic compound) is chosen.

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Taylor, Roger. "C70H36 is probably an aromatic compound." Journal of the Chemical Society, Perkin Transactions 2, no. 12 (1994): 2497. http://dx.doi.org/10.1039/p29940002497.

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Deichmann, M., C. Näther, and Rainer Herges. "Pyrolysis of a Tubular Aromatic Compound." Organic Letters 5, no. 8 (April 2003): 1269–71. http://dx.doi.org/10.1021/ol034352x.

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Nobu, Masaru Konishi, Takashi Narihiro, Miaomiao Liu, Kyohei Kuroda, Ran Mei, and Wen-Tso Liu. "Thermodynamically diverse syntrophic aromatic compound catabolism." Environmental Microbiology 19, no. 11 (October 2, 2017): 4576–86. http://dx.doi.org/10.1111/1462-2920.13922.

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Di Gennaro, Patrizia, Anna Bargna, and Guido Sello. "Microbial enzymes for aromatic compound hydroxylation." Applied Microbiology and Biotechnology 90, no. 6 (April 27, 2011): 1817–27. http://dx.doi.org/10.1007/s00253-011-3285-4.

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Song, Bongkeun, and Bess B. Ward. "Genetic Diversity of Benzoyl Coenzyme A Reductase Genes Detected in Denitrifying Isolates and Estuarine Sediment Communities." Applied and Environmental Microbiology 71, no. 4 (April 2005): 2036–45. http://dx.doi.org/10.1128/aem.71.4.2036-2045.2005.

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ABSTRACT Benzoyl coenzyme A (benzoyl-CoA) reductase is a central enzyme in the anaerobic degradation of organic carbon, which utilizes a common intermediate (benzoyl-CoA) in the metabolism of many aromatic compounds. The diversity of benzoyl-CoA reductase genes in denitrifying bacterial isolates capable of degrading aromatic compounds and in river and estuarine sediment samples from the Arthur Kill in New Jersey and the Chesapeake Bay in Maryland was investigated. Degenerate primers were developed from the known benzoyl-CoA reductase genes from Thauera aromatica, Rhodopseudomonas palustris, and Azoarcus evansii. PCR amplification detected benzoyl-CoA reductase genes in the denitrifying isolates belonging to α-, β-, or γ-Proteobacteria as well as in the sediment samples. Phylogenetic analysis, sequence similarity comparison, and conserved indel determination grouped the new sequences into either the bcr type (found in T. aromatica and R. palustris) or the bzd type (found in A. evansii). All the Thauera strains and the isolates from the genera Acidovorax, Bradyrhizobium, Paracoccus, Ensifer, and Pseudomonas had bcr-type benzoyl-CoA reductases with amino acid sequence similarities of more than 97%. The genes detected from Azarocus strains were assigned to the bzd type. A total of 50 environmental clones were detected from denitrifying consortium and sediment samples, and 28 clones were assigned to either the bcr or the bzd type of benzoyl-CoA reductase genes. Thus, we could determine the genetic capabilities for anaerobic degradation of aromatic compounds in sediment communities of the Chesapeake Bay and the Arthur Kill on the basis of the detection of two types of benzoyl-CoA reductase genes. The detected genes have future applications as genetic markers to monitor aromatic compound degradation in natural and engineered ecosystems.

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Khan, Shafiullah, Shazia Yasmeen, Nighat Afza, Abdul Malik, Lubna Iqbal, and Mehreen Lateef. "Cotonoates A and B, New Aromatic Esters from Cotoneaster racemiflora." Zeitschrift für Naturforschung B 63, no. 10 (October 1, 2008): 1219–22. http://dx.doi.org/10.1515/znb-2008-1013.

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AbstractPhytochemical investigation of the chloroform soluble fraction of the methanolic extract of Cotoneaster racemiflora resulted in the isolation of two new aromatic esters named cotonoates A (1) and B (2) along with the known compound methyl 3,4-dihydroxy-5-methoxybenzoate (3). The structures of the new compounds have been assigned on the basis of spectral analysis including 1D and 2D NMR techniques. Compound 3 shows significant antioxidant and lipoxygenase inhibitory activities.

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Zaror, C., V. Carrasco, L. Perez, G. Soto, M. A. Mondaca, and H. Mansilla. "Kinetics and toxicity of direct reaction between ozone and 1,2-dihydrobenzene in dilute aqueous solution." Water Science and Technology 43, no. 2 (January 1, 2001): 321–26. http://dx.doi.org/10.2166/wst.2001.0106.

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The presence of toxic aromatic organic compounds in industrial wastewater affects the efficiency of conventional biological treatment. The oxidizing power of ozone represents an interesting pretreatment to reduce toxicity and increase biodegradability. At low pH, ozone is known to attack electron-rich structures by direct electrophilic reactions which open aromatic rings, and generate smaller oxidized compounds. This paper reports experimental results on kinetic and toxicity aspects of ozone direct reactions with 1,2-dihydrobenzene. This toxic compound is frequently found in cellulose bleaching effluents. Although the reaction pathway is rather complex, 4-carbon compounds, such as maleic acid, are readily formed during the first stage of ozonation. These 4-carbon compounds are further oxidized to form smaller molecules (mostly 2-carbon, such as oxalic acid). The apparent kinetics of 1,2-dihydrobenzene follows a second order law, with a rate constant around 0.36 (dm3 mmol–1s–1), at pH 2 and 20°C. Results show that the BOD:COD ratio increase five-fold as ozonation progresses. Furthermore, the mutagenicity of 1,2-dihydrobenzene totally disappears as the aromatic compound is destroyed by ozonation.

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Chen, Xiaohang, Mingxin Yu, and Meijun Wang. "Catalytic Friedel–Crafts acylation of aromatic ethers using SmI3." Journal of Chemical Research 2005, no. 2 (February 2005): 80–81. http://dx.doi.org/10.3184/0308234054497191.

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10% mol SmI3 catalysed the Friedel–Crafts acylation of aromatic ethers by acyl chlorides in acetonitrile with the yields of 48–82%. Reactions of various substituted aromatic ethers with acyl chloride were studied. The structures of compounds were established by IR and 1H NMR. The main product obtained with anisole is the para-substituted compound with only a trace (<5 %) of meta and ortho substituted products. This shows that the acylation of aromatic ethers is highly regioselective in the presence of SmI3, a pattern repeated with the other aromatic ethers used.

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Wang, Xinping, Yuhui Zhao, Peiyan Sun, Min Ji, and Mutai Bao. "Automatic integration method for single and multiple peaks in the GC and GC-MS chromatograms of characteristic oil compounds." Analytical Methods 7, no. 6 (2015): 2670–79. http://dx.doi.org/10.1039/c4ay03088e.

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In oil fingerprinting studies, hundreds of compound peaks (including saturated and aromatic hydrocarbons) need to be integrated for the identification and quantification of characteristic oil compounds.

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Machovina, Melodie M., Sam J. B. Mallinson, Brandon C. Knott, Alexander W. Meyers, Marc Garcia-Borràs, Lintao Bu, Japheth E. Gado, et al. "Enabling microbial syringol conversion through structure-guided protein engineering." Proceedings of the National Academy of Sciences 116, no. 28 (June 24, 2019): 13970–76. http://dx.doi.org/10.1073/pnas.1820001116.

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Microbial conversion of aromatic compounds is an emerging and promising strategy for valorization of the plant biopolymer lignin. A critical and often rate-limiting reaction in aromatic catabolism isO-aryl-demethylation of the abundant aromatic methoxy groups in lignin to form diols, which enables subsequent oxidative aromatic ring-opening. Recently, a cytochrome P450 system, GcoAB, was discovered to demethylate guaiacol (2-methoxyphenol), which can be produced from coniferyl alcohol-derived lignin, to form catechol. However, native GcoAB has minimal ability to demethylate syringol (2,6-dimethoxyphenol), the analogous compound that can be produced from sinapyl alcohol-derived lignin. Despite the abundance of sinapyl alcohol-based lignin in plants, no pathway for syringol catabolism has been reported to date. Here we used structure-guided protein engineering to enable microbial syringol utilization with GcoAB. Specifically, a phenylalanine residue (GcoA-F169) interferes with the binding of syringol in the active site, and on mutation to smaller amino acids, efficient syringolO-demethylation is achieved. Crystallography indicates that syringol adopts a productive binding pose in the variant, which molecular dynamics simulations trace to the elimination of steric clash between the highly flexible side chain of GcoA-F169 and the additional methoxy group of syringol. Finally, we demonstrate in vivo syringol turnover inPseudomonas putidaKT2440 with the GcoA-F169A variant. Taken together, our findings highlight the significant potential and plasticity of cytochrome P450 aromaticO-demethylases in the biological conversion of lignin-derived aromatic compounds.

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Hamidian, Kourosh, Mohsen Irandoust, Ezzat Rafiee, and Mohammad Joshaghani. "Synthesis, Characterization, and Tautomeric Properties of Some Azo-azomethine Compounds." Zeitschrift für Naturforschung B 67, no. 2 (February 1, 2012): 159–64. http://dx.doi.org/10.1515/znb-2012-0208.

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The primary azo compound 1-(3-formyl-4-hydroxyphenylazo)-4-nitrobenzene reacts with some aliphatic and aromatic diamines and yields the corresponding azo-azomethine compounds. These compounds were characterized by elemental analysis, IR, UV/Vis, and NMR spectroscopy. The primary azo compound exists entirely in the azo form in solution as well as in the solid phase. The tautomeric structure of azo-azomethine compounds heavily depends on the solvent and the substituents. Aliphatic diamine-based compounds favor the enol-imine tautomer while aromatic diamine-based compounds have structures that lie between the two enol-imine and keto-amine tautomers due to a relatively strong intramolecular hydrogen bond. The compounds exhibit positive solvatochromism (bathochromic shift) so that their absorption bands move toward longer wavelengths as the polarity of the solvents increases. In addition, UV/Vis spectrophotometry has shown that the studied compounds have molar extinction coefficients larger than 40000.

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Woodland, Walmiria, Cherie A. Motti, Paul Irving, Lynne Van Herwerden, and George Vamvounis. "A Colorimetric Approach towards Polycyclic Aromatic Hydrocarbon Sensing." Australian Journal of Chemistry 69, no. 11 (2016): 1292. http://dx.doi.org/10.1071/ch16176.

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The colorimetric detection of polycyclic aromatic hydrocarbons (PAHs) was achieved using photochromic compounds. This technique exploits the ability of the photochromic compound to reversibly change from a colourless to a coloured compound using ultraviolet light and visible light. In the presence of a PAH, this photoisomerization is inhibited. The degree of inhibition corresponded to the molar absorptivity and excitation wavelength of the PAH, and with a limit of detection in the micromolar range, the current method delivers a highly sensitive and selective technology. In addition, PAH mixtures were successfully identified using this method, providing a potentially fast in-field sensing technology for the identification of likely sources of spilled oil.

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Nadeem, Said, Muhammad R. Shah, Kiramat Shah, Akhtar Mohammad, and Burhan Khan. "Synthesis of Diamides and Diimines Derived from 4,4′-(1,3-Phenylenebis(oxy))dianiline, Units for Symmetrical Macrocycles." Organic Chemistry International 2012 (December 31, 2012): 1–10. http://dx.doi.org/10.1155/2012/279097.

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4,4′-(1,3-Phenylenebis(oxy))dianiline 1 is an aromatic diamine compound and has been very less utilized in the organic synthesis. Different diimines and diamides were synthesized by reacting compound 1 with aromatic and heterocyclic compounds having different functionalities. These longer electron rich spacer molecules were synthesized to utilize them in the near future in making macrocycles of different sizes and functionalities. A hydrazide was also prepared from a diamide spacer molecule containing ester group. A diamide prepared containing nibrobenzene moiety was further reduced to amine to obtain longer spacer diamine molecule than the starting molecule 1.

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Corvino, Angela, Ida Cerqua, Alessandra Lo Bianco, Giuseppe Caliendo, Ferdinando Fiorino, Francesco Frecentese, Elisa Magli, et al. "Antagonizing S1P3 Receptor with Cell-Penetrating Pepducins in Skeletal Muscle Fibrosis." International Journal of Molecular Sciences 22, no. 16 (August 17, 2021): 8861. http://dx.doi.org/10.3390/ijms22168861.

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S1P is the final product of sphingolipid metabolism, which interacts with five widely expressed GPCRs (S1P1-5). Increasing numbers of studies have indicated the importance of S1P3 in various pathophysiological processes. Recently, we have identified a pepducin (compound KRX-725-II) acting as an S1P3 receptor antagonist. Here, aiming to optimize the activity and selectivity profile of the described compound, we have synthesized a series of derivatives in which Tyr, in position 4, has been substituted with several natural aromatic and unnatural aromatic and non-aromatic amino acids. All the compounds were evaluated for their ability to inhibit vascular relaxation induced by KRX-725 (as S1P3 selective pepducin agonist) and KRX-722 (an S1P1-selective pepducin agonist). Those selective towards S1P3 (compounds V and VII) were also evaluated for their ability to inhibit skeletal muscle fibrosis. Finally, molecular dynamics simulations were performed to derive information on the preferred conformations of selective and unselective antagonists.

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Lahmy, S., J. M. Salmon, and P. Viallet. "Microspectrofluorometric comparison of benzo(a)pyrene and dibenzo(c,h)acridine metabolism in single living 3T3 fibroblasts." Journal of Histochemistry & Cytochemistry 35, no. 2 (February 1987): 197–201. http://dx.doi.org/10.1177/35.2.3794313.

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The purpose of this study was to determine if dibenzo(c,h)acridine could be used as a probe for the N-heterocyclic aromatic compound detoxification system. The determination was achieved by cell population studies (histograms) using microspectrofluorimetry on single living cells. The results show a similar metabolic distribution pattern between dibenzo(c,h)acridine and benzo(a)pyrene, whereas important differences appear between 6-aminochrysene and dibenzo(c,h)acridine, respectively amine aromatic and N-heterocyclic aromatic compounds. No differences were observed in the metabolism of benzo(a)pyrene in untreated cells and those treated with constant concentrations of dibenzo(c,h)acridine. However, inhibition of dibenzo(c,h)acridine metabolism was observed in the presence of benzo(a)pyrene, indicating that this compound should be a preferential substrate for a cell detoxification system.

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Yang, Jyisy, and Yuh-Shenq Huang. "IR Chemical Sensor for Detection of Aromatic Compounds in Aqueous Solutions Using Alkylated Polystyrene-Coated ATR Waveguides." Applied Spectroscopy 54, no. 2 (February 2000): 202–8. http://dx.doi.org/10.1366/0003702001949401.

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The combination of solid-phase micro-extraction (SPME) with infrared (IR) attenuated total reflection (ATR) spectroscopic methods provides a fast and convenient way to detect organic compounds in aqueous solutions. In an effort to overcome the limitation of commercially available polymers, polystyrene (PS) was derivatized with different alkyl groups chain lengths to increase the performance of SPME-IR/ATR in detection of various aromatic compounds in aqueous solutions. The alkylated PS provides higher extraction efficiency and speed of diffusion in analysis of aromatic compounds than the commonly used polymers in SPME-IR/ATR methods. The increase of extraction efficiency is mainly caused by the π–π interaction between the phenyl rings of PS and the aromatic compounds. Meanwhile, the high rate of diffusion in the SPME phase is due to the lower crystallinity after alkylation. Results from analysis of different polarity aromatic compounds indicated that alkylated PS provides both a higher partition coefficient and a faster diffusion rate for the examined aromatic compounds. Better extraction performance of longer chain length PS was observed for low-polarity aromatic compounds. For higher polarity aromatic compounds, the increased chain length reduces the extraction efficiency in detection of this type of compound. This observation may reveal that the π–π interaction is more important in attraction of medium to polar aromatic compounds.

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Lomans, Bart P., Pieter Leijdekkers, Jan-Jaap Wesselink, Patrick Bakkes, Arjan Pol, Chris van der Drift, and Huub J. M. Op den Camp. "Obligate Sulfide-Dependent Degradation of Methoxylated Aromatic Compounds and Formation of Methanethiol and Dimethyl Sulfide by a Freshwater Sediment Isolate,Parasporobacterium paucivorans gen. nov., sp. nov." Applied and Environmental Microbiology 67, no. 9 (September 1, 2001): 4017–23. http://dx.doi.org/10.1128/aem.67.9.4017-4023.2001.

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ABSTRACT Methanethiol (MT) and dimethyl sulfide (DMS) have been shown to be the dominant volatile organic sulfur compounds in freshwater sediments. Previous research demonstrated that in these habitats MT and DMS are derived mainly from the methylation of sulfide. In order to identify the microorganisms that are responsible for this type of MT and DMS formation, several sulfide-rich freshwater sediments were amended with two potential methyl group-donating compounds, syringate and 3,4,5-trimethoxybenzoate (0.5 mM). The addition of these methoxylated aromatic compounds resulted in excess accumulation of MT and DMS in all sediment slurries even though methanogenic consumption of MT and DMS occurred. From one of the sediment slurries tested, a novel anaerobic bacterium was isolated with syringate as the sole carbon source. The strain, designated Parasporobacterium paucivorans, produced MT and DMS from the methoxy groups of syringate. The hydroxylated aromatic residue (gallate) was converted to acetate and butyrate. Like Sporobacterium olearium, another methoxylated aromatic compound-degrading bacterium, the isolate is a member of the XIVa cluster of the low-GC-contentClostridiales group. However, the new isolate differs from all other known methoxylated aromatic compound-degrading bacteria because it was able to degrade syringate in significant amounts only in the presence of sulfide.

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Fingas, Merv. "Polar Compounds in Oils and Their Aquatic Toxicity." International Oil Spill Conference Proceedings 2017, no. 1 (May 1, 2017): 2017036. http://dx.doi.org/10.7901/2169-3358-2017.1.000036.

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Polar compounds as found in oils are hydrocarbon compounds containing nitrogen, sulphur or oxygen. Measurement of the presence of these compounds in oils can be carried out using sophisticated analysis techniques, however quantification and separation of compounds is very difficult and will remain a problem for many years to come. Characterization of polar compounds in oils is at a state of infancy and little polar analysis for many oils has been carried out to date. In order to measure the toxicity of a specific compound or class of compounds, separation is needed. Separation is very difficult and in many cases, beyond the scope of today's technology. An alternative has been to synthesize the compound of concern and then test its toxicity. This approach ignores the matrix in which the compound is usually present and the compound of interest may be not bioavailable when present in the actual oil, due to its solubility in oil. Highly polar compounds are likely not present in produced oils due to the polar compound's high water solubility. Compounds with moderate or less polarity are typically more soluble in oil than water. Similarly, highly polar compounds produced by biodegradation or photo oxidation would be diluted in water during a spill. The aquatic toxicity of polar compounds compared to aromatic compounds has been tested by using evaporative weathering. Aromatic compounds, particularly that of the 2 to 5 ring polyaromatic hydrocarbons (PAHs), are fairly well-established as the primary toxic component of oils. Polar compounds are soluble in water and thus may pose another source of toxicity. Evaporative weathering tests where photo oxidation is not involved, in which some of the low molecular weight compounds and PAHs are lost from the oil, are thought to be one test of the comparison of polar compound toxicity compared to that of the PAHs. These tests show that polar compounds are generally less-aquatically-toxic than the 2 to 5-ring PAHs. Another test that has been performed is that of physical separation of oil components. In these type of tests, polar compounds have again been shown to have less aquatic toxicity that the PAHs in the same oil. Both tests have obvious limitations in that there are many compounds involved.

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FERNANDES, PATRICK F., and DIVYA R. MISHRA. "A Novel Sensor from Cyclotriveratrylene Derivative for Rapid Detection of 4-Nitrophenol Based on Fluorescence." Asian Journal of Chemistry 32, no. 9 (2020): 2139–42. http://dx.doi.org/10.14233/ajchem.2020.22720.

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In order to study various environmental pollutants among the class of nitro aromatic compounds, a new and novel sensor derived from a cyclotriveratrylene derivative has been developed which rapidly detects 4-nitrophenol from among the class of nitro aromatic compounds via spectrofluorimetric method. The newly derrivaritized cyclotriveratrylene compound is successfully confirmed by using the available techniques of 1H NMR, 13C NMR and ESI-MS. The newly developed molecule was named 4C7NbF-CTV. The complexation behaviour of 4C7NbF-CTV with various nitro aromatic compounds was studied. In the absorption spectra a shift was observed, which indicated that 4-nitrophenol interact with 4C7NbF-CTV. An enhanced intensity of fluorescence of 4C7NbF-CTV was observed on adding 4-nitrophenol.

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40

Marlina, Ena, Mochammad Basjir, Mitsuhisa Ichiyanagi, Takashi Suzuki, Gabriel Jeremy Gotama, and Willyanto Anggono. "The Role of Eucalyptus Oil in Crude Palm Oil As Biodiesel Fuel." Automotive Experiences 3, no. 1 (April 6, 2020): 33–38. http://dx.doi.org/10.31603/ae.v3i1.3257.

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Utilization of crude palm oils (CPO) as biodiesel faces difficulty due to their high level of viscosity. Mixing crude eucalyptus oils (CEO) with CPO may reduce the viscosity due to the presence of aromatic compounds in CEO. The single droplet analysis was performed to determine the characteristics of mixing CPO with the CEO. The results showed that the addition of CEO decreased the viscosity due to the presence of intermolecular attractions, thereby leading to more active molecules in the CPO-CEO mixture. Furthermore, the aromatic compound in the CEO helped in decreasing the CPO flash point, while the aromatic compound in the triglyceride molecule weakens the bonds between molecules. The addition of CEO to CPO tends to reduce the ignition delay due to the presence of cineol content in the CEO, which weakens the van der Waals bond in CPO.

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41

Castro, Kimberly P., and Michiho Ito. "Individual and Combined Inhalational Sedative Effects in Mice of Low Molecular Weight Aromatic Compounds Found in Agarwood Aroma." Molecules 26, no. 5 (March 2, 2021): 1320. http://dx.doi.org/10.3390/molecules26051320.

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Agarwood is known to have a sedative effect and the less studied volatile aromatic constituents it contains may have contribution to the activity. In this study, two Kyara grade (highest-grade agarwood in Japan) samples were extracted using headspace-solid phase microextraction (HS-SPME) and analyzed through gas chromatography-mass spectrometry (GC-MS). Six low molecular weight aromatic compounds (LACs) and one structurally simple compound (diethylene glycol monoethyl ether) present in the aromas were individually evaluated for inhalational sedative activity in mice through open field test. Doses of 0.0001 g/L to 1 g/L were prepared for each compound and administered to mice (n = 6/dose/compound). Results revealed all compounds decreased spontaneous motor activity at almost all doses. Strongest sedative activity of each compound reduced total spontaneous motor activity by more than half against control, demonstrating their contribution to agarwood aroma and potential as independent sedating agents. Mixtures of compounds using their most effective dose were made and evaluated again for inhalational sedative effect. Interestingly, the combination of all compounds showed no significant effect and even caused stimulation in mice movements. This result suggests antagonistic-like interaction between the compounds, which is probably due to structural similarities. Consequently, it implies the other constituents present in agarwood, along with LACs, are also important to the overall sedative activity.

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42

Sohail, Muhammad, Yixin Zhang, Wujun Liu, Qin Chen, Lei Wang, and Zongbao K. Zhao. "Four-component α-bromo-β-phosphoalkoxylation of aromatic α,β-unsaturated carbonyl compounds." RSC Advances 5, no. 22 (2015): 17014–17. http://dx.doi.org/10.1039/c4ra12417k.

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Novel α-bromo-β-phosphoalkoxylated carbonyl compounds were produced in moderate to excellent yields via highly selective four-component reaction involving NBS, a cyclic ether, an organic phosphate and an aromatic α,β-unsaturated carbonyl compound.

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Dong, Du, Li, Cui, Gao, and Wu. "Impacts of Organic Structures and Inherent Minerals of Coal on Soot Formation during Pyrolysis." Energies 12, no. 23 (November 20, 2019): 4410. http://dx.doi.org/10.3390/en12234410.

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The pyrolysis of four pairs of raw and acid-washed coals under N2 atmosphere was carried out in a drop tube reactor at 1250 °C. The results show that both organic structures and metal elements have an important influence on the formation of soot. The total area of aromatic and aliphatic hydrogen absorption bands is positively correlated with soot yield. Aromatic compounds have a greater contribution to soot and tar formation. The absorption band area of oxygen structures in coal FTIR spectra is negatively correlated with the soot conversion rate of tar. During pyrolysis, metal substances in coal can catalyze the dehydrogenation and deoxygenation of tar, reduce the content and stability of the aliphatic compound, and catalyze aromatic ring rupturing. More importantly, gasified metals can inhibit the polymerization reaction of aromatic compounds.

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Lavenhar, Steven R., and Carol A. Maczka. "Structure-Activity Considerations in Risk Assessment: a Simulation Study." Toxicology and Industrial Health 1, no. 4 (October 1985): 249–59. http://dx.doi.org/10.1177/074823378500100416.

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The use of quantitative structure-activity relationships (QSAR) is considered with respect to estimating the carcinogenic risk of untested chemicals. SAR derived from a retrospective classification of a series of aromatic amines were used to study the estimation of carcinogenic risk by analogy. Using pattern recognition methods, a series of molecular descriptors were developed for a data set of aromatic amines that supported a linear discriminant function capable of separating compounds testing positively for carcinogenicity from those testing negatively. Linear discriminant analysis correctly categorized the compounds as positive or negative in 94.9% of the cases. For each aromatic amine within the subset of positive compounds, the most appropriate analogue was identified using physicochemical, topological, geometric and electronic molecular descriptors as variables. An upper-limit unit risk estimate was calculated for each compound that was a positive carcinogen within the data set using the linearized multistage model. The actual risk and the risk estimated by analogy to a congener were compared for each compound within the positive subset. The results support estimating both qualitative and quantitative carcinogenic risk by analogy for this particular data set.

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Datar, Prasanna A., and Sonali R. Jadhav. "Design and Synthesis of Pyrazole-3-one Derivatives as Hypoglycaemic Agents." International Journal of Medicinal Chemistry 2015 (February 4, 2015): 1–10. http://dx.doi.org/10.1155/2015/670181.

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Pyrazole-3-one compounds were designed on the basis of docking studies of previously reported antidiabetic pyrazole compounds. The amino acid residues found during docking studies were used as guidelines for the modification of aromatic substitutions on pyrazole-3-one structure. Depending on the docking score, the designed compounds were selectively prioritized for synthesis. The synthesized compounds were subjected to in vivo hypoglycemic activity using alloxan induced diabetic rats and metformin as a standard. Compound 4 having sulphonamide derivative was found to be the most potent compound among the series.

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Otsuka, Kazuhiko, Shinfuku Nomura, Shinobu Mukasa, Hiromichi Toyota, and Muhammad Agung. "Phenol Production from Aromatic Compound Using Plasma." Proceedings of the Thermal Engineering Conference 2016 (2016): G123. http://dx.doi.org/10.1299/jsmeted.2016.g123.

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Fu, Jaw‐Kwei, and Richard G. Luthy. "Aromatic Compound Solubility in Solvent/Water Mixtures." Journal of Environmental Engineering 112, no. 2 (April 1986): 328–45. http://dx.doi.org/10.1061/(asce)0733-9372(1986)112:2(328).

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Chokanandsombat, Yotwadee, Pongdhorn Sea-Oui, and Chakrit Sirisinha. "Influence of Aromatic Content in Rubber Processing Oils on Viscoelastic Behaviour and Mechanical Properties of Styrene-Butadiene-Rubber (SBR) for Tyre Tread Applications." Advanced Materials Research 747 (August 2013): 471–74. http://dx.doi.org/10.4028/www.scientific.net/amr.747.471.

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In recent years, the increasing concern on the toxicity of highly aromatic oils has been incentive to the development of rubber process oils (RPOs) which are more environmentally-friendly. Many alternative eco-friendly RPOs have been tested with the aims of selecting the most suitable replacement for these highly aromatic oils. As a consequence, in order to achieve both environmental friendliness and effective rubber compounding, the aromatic content in RPOs must be optimised. In the present study, the experiments have been carried out to investigate the effects of aromatic and polycyclic aromatic compounds (PCAs) contents in RPOs on processability and mechanical properties of styrene butadiene rubber (SBR) compounds and vulcanisates. Results obtained suggest that the presence of RPOs leads to a decreased compound viscosity, and thus an enhanced processability. By incorporating the RPOs into SBR compounds, some mechanical properties including elongation at break and tear strength of cured SBR can be improved, particularly for the RPOs with high aromatic content. It is believed to be attributed to the increased compatibility between RPOs and SBR matrix. Nevertheless, the aromatic and PCA contents play little or insignificant role on the crosslink density and bulk viscosity of rubber compounds as well as hardness and compression set of vulcanisates.

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Matsuo, Yukiko, Chika Ohba, Saori Maeda, Haruhiko Fukaya, and Yoshihiro Mimaki. "A New Neolignan Glycoside from Vetiveria zizanioides Roots." Natural Product Communications 11, no. 7 (July 2016): 1934578X1601100. http://dx.doi.org/10.1177/1934578x1601100728.

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A new neolignan glycoside (1) and four known aromatic compounds (2-5) were isolated from the roots of Vetiveria zizanioides. The structure of compound 1 was determined based on spectroscopic analysis and hydrolysis. The structure of known flavonoid glycoside 3 was confirmed by X-ray crystallography. Compound 5 showed weak cytotoxic activity against HL-60 cells with an IC50 value of 13.1 ± 0.04 μM.

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Zhang, Li, Qin Jie Cai, and Shu Rong Wang. "Co-Cracking of Bio-Oil Model Compound Mixture and Ethanol with Different Blending Ratios for Bio-Gasoline Production." Advanced Materials Research 986-987 (July 2014): 30–33. http://dx.doi.org/10.4028/www.scientific.net/amr.986-987.30.

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Since the composition of crude bio-oil was complex, model compounds were usually used in the study of cracking to simulate the actual bio-oil. However, the cracking of pure model compound mixture generated an inferior oil phase which had a high content of oxygenated byproducts. When ethanol was adopted as the co-reactant, the reactant conversion, yield and quality of oil phase were obviously improved. The conversions of the reactants were 100% and the selectivity of the oil phase was 31.5wt% when the concentration of model compound mixture in the feed reached 30%. Meanwhile, the oil phase also had a superior quality which was entirely composed of aliphatic and aromatic hydrocarbons.

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Journal articles on the topic 'Aromatic compound'

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