{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,9,13]],"date-time":"2023-09-13T16:33:34Z","timestamp":1694622814553},"reference-count":38,"publisher":"American Chemical Society (ACS)","issue":"3","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Chem. Res. Toxicol."],"published-print":{"date-parts":[[1996,1,1]]},"DOI":"10.1021\/tx9501997","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T05:02:22Z","timestamp":1027659742000},"page":"667-675","source":"Crossref","is-referenced-by-count":0,"title":["Conformational Aspects of Glutathione Conjugates of Chlorinated Alkenes:\u2009 A Computational Study"],"prefix":"10.1021","volume":"9","author":[{"given":"Joong-Youn","family":"Shim","sequence":"first","affiliation":[{"name":"National Health and Environmental Effects Research Laboratory, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina 27711"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ann M.","family":"Richard","sequence":"additional","affiliation":[{"name":"National Health and Environmental Effects Research Laboratory, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina 27711"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[1996,4,16]]},"reference":[{"key":"tx9501997b00001\/tx9501997b00001_1","volume-title":"The mechanism of pentachlorobutadieneyl-glutathione nephrotoxicity studied with isolated rat renal epithelial cells. Arch. Biochem. Phys. 251, 504\u2212513","author":"Jones T. W.","year":"1986"},{"key":"tx9501997b00002\/tx9501997b00002_1","volume-title":"S-(1,2-dichloro-[14C]vinyl)-l-cysteine (DCVC) in the mouse kidney:\u2009 correlation between tissue-binding and toxicity. Toxicol. Appl. Pharmacol. 95, 423\u2212434","author":"Darnerud P. O.","year":"1988"},{"key":"tx9501997b00003\/tx9501997b00003_1","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1016\/0041-008X(90)90264-U","volume":"103","author":"Green T.","year":"1990","journal-title":"Toxicol. Appl. Pharmacol."},{"key":"tx9501997b00004\/tx9501997b00004_1","doi-asserted-by":"crossref","DOI":"10.1021\/tx00015a001","volume-title":"Molecular and biochemical mechanisms of chemically induced nephrotoxicity:\u2009 A review. Chem. Res. Toxicol. 3, 171\u2212194","author":"Commandeur J. N. M.","year":"1990"},{"key":"tx9501997b00005\/tx9501997b00005_1","volume-title":"Biochem. Pharmacol. 24","author":"Bonse G.","year":"1975"},{"key":"tx9501997b00006\/tx9501997b00006_1","volume-title":"Biochem. Pharmacol. 33","author":"Dekant W.","year":"1984"},{"key":"tx9501997b00007\/tx9501997b00007_1","first-page":"61","volume":"54","author":"Guengerich F. P.","year":"1992","journal-title":"Pharmacol. Ther."},{"key":"tx9501997b00008\/tx9501997b00008_1","volume-title":"Bioactivation of xenobiotics by formation of toxic glutathione conjugates. Chem.-Biol. Interact. 77, 107\u2212136","author":"Koob M.","year":"1991"},{"key":"tx9501997b00009\/tx9501997b00009_1","volume-title":"Mechanism of S-(1,2-dichlorovinyl)glutathione-induced nephrotoxicity. Biochem. Pharmacol. 35, 283\u2212288","author":"Elfarra A. A.","year":"1986"},{"key":"tx9501997b00010\/tx9501997b00010_1","volume-title":"Identification of S-1,2-dichloro-N-acetylcysteine as a urinary metabolite of trichloroethylene:\u2009 a possible explanation for its nephrocarcinogenicity in male rats. Biochem. Pharmacol. 35, 2455\u22122458","author":"Dekant W.","year":"1986"},{"key":"tx9501997b00011\/tx9501997b00011_1","volume-title":"Metabolism of hexachloro-1,3-butadiene in mice:\u2009 in vivo and in vitro evidence for activation by glutathione conjugation. Xenobiotica 18, 803\u2212816","author":"Dekant W.","year":"1988"},{"key":"tx9501997b00012\/tx9501997b00012_1","doi-asserted-by":"crossref","first-page":"83","DOI":"10.3109\/03602538908994144","volume":"20","author":"Dekant W.","year":"1989","journal-title":"Drug Metab. Rev."},{"key":"tx9501997b00013\/tx9501997b00013_1","doi-asserted-by":"crossref","unstructured":"Patel, N., Birner, G., Dekant, W., and Anders, M. W. (1994) Glutathione-dependent biosynthesis and bioactivation ofS-(1,2-dichlorovinyl)glutathione andS-(1,2-dichlorovinyl)-l-cysteine, the glutathione and cysteineS-conjugates of dichloroacetylene, in rat tissues and subcellular fractions.Drug Metab. Dispos.22, 143\u2212147.","DOI":"10.1016\/0169-328X(93)90072-W"},{"key":"tx9501997b00014\/tx9501997b00014_1","doi-asserted-by":"crossref","DOI":"10.3109\/10408448809037470","volume":"18","author":"Anders M. W.","year":"1988","journal-title":"CRC Crit. Rev. Toxicol."},{"key":"tx9501997b00015\/tx9501997b00015_1","volume-title":"The rich mechanistic world of nucleophilic vinylic substitution. Recl. Trav. Chim. Pays-Bas 104, 309\u2212349","author":"Rappoport Z.","year":"1985"},{"key":"tx9501997b00016\/tx9501997b00016_1","volume-title":"Mutagenicity and cytotoxicity of two regioisomeric mercapturic acids and cysteine S-conjugates of trichloroethylene. Arch. Toxicol. 65, 373\u2212380","author":"Commandeur J. N. M.","year":"1991"},{"key":"tx9501997b00017\/tx9501997b00017_1","volume-title":"Enzymatic reaction of chlorotrifluoroethene with glutathione:\u2009 19F NMR evidence for stereochemical control of the reaction. Biochemistry 24, 5137\u22125143","author":"Dohn D. R.","year":"1985"},{"key":"tx9501997b00018\/tx9501997b00018_1","volume-title":"Identification of N-acetyl(2,2-dichlorovinyl)- and N-acetyl(2,2-dichlorovinyl)-l-cysteine as two regioisomeric mercapturic acids of trichloroethylene in the rat. Chem. Res. Toxicol. 3, 212\u2212218","author":"Commandeur J. N. M.","year":"1990"},{"key":"tx9501997b00019\/tx9501997b00019_1","volume-title":"Glutathione S-transferases:\u2009 Reaction mechanism, structure, and function. Chem. Res. Toxicol. 4, 131\u2212140","author":"Armstrong R. N.","year":"1991"},{"key":"tx9501997b00020\/tx9501997b00020_1","volume-title":"Stereochemistry of the microsomal glutathione S-transferase catalyzed addition of glutathione to chlorotrifluoroethene. Biochemistry 30, 717\u2212721","author":"Hargus S. J.","year":"1991"},{"key":"tx9501997b00021\/tx9501997b00021_1","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1021\/tx00043a001","volume":"8","author":"Goeptar A. R.","year":"1995","journal-title":"Chem. Res. Toxicol."},{"key":"tx9501997b00022\/tx9501997b00022_1","unstructured":"Lowry, T. H., and Richardson, K. S. (1987)Mechanism and theory in organic chemistry, pp 202\u2212214, Harper & Row, New York, NY."},{"key":"tx9501997b00023\/tx9501997b00023_1","doi-asserted-by":"crossref","DOI":"10.1002\/jcc.540100804","volume":"10","author":"Clark M.","year":"1989","journal-title":"J. Comput. Chem."},{"key":"tx9501997b00024\/tx9501997b00024_1","volume":"107","author":"Dewar M. J. S.","year":"1985","journal-title":"J. Am. Chem. Soc."},{"key":"tx9501997b00025\/tx9501997b00025_1","volume-title":"Revision, Gaussian","author":"Frisch M. J.","year":"1992"},{"key":"tx9501997b00026\/tx9501997b00026_1","doi-asserted-by":"crossref","first-page":"60","DOI":"10.1016\/0022-2860(88)80230-8","volume":"176","author":"Gundersen G.","year":"1988","journal-title":"J. Mol. Struct."},{"key":"tx9501997b00027\/tx9501997b00027_1","doi-asserted-by":"crossref","DOI":"10.1016\/0022-2860(79)80341-5","volume":"53","author":"Lowrey A. H.","year":"1979","journal-title":"J. Mol. Struct."},{"key":"tx9501997b00028\/tx9501997b00028_1","volume-title":"Practical Strategies for Electronic Structure Calculations","author":"Hehre W.","year":"1995"},{"key":"tx9501997b00029\/tx9501997b00029_1","volume":"261","author":"Lash L. H.","year":"1986","journal-title":"J. Biol. Chem."},{"key":"tx9501997b00030\/tx9501997b00030_1","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1016\/0009-2797(90)90110-9","volume":"73","author":"Dekant W.","year":"1990","journal-title":"Chem.-Biol. Interact."},{"key":"tx9501997b00031\/tx9501997b00031_1","volume":"81","author":"McKinney L. L.","year":"1958","journal-title":"J. Am. Chem. Soc."},{"key":"tx9501997b00032\/tx9501997b00032_1","doi-asserted-by":"crossref","unstructured":"Birner, G., Vamvakas, S., Dekant, W., and Henschler, D. (1993) Nephrotoxic and genotoxic N-acetyl-S-dichlorovinyl-l-cysteine is a urinary metabolite after occupational 1,1,2-trichloroethene exposure in humans:\u2009 Implications for the risk of trichloroethene exposure.Environ. Health Perspect.99, 281\u2212284.","DOI":"10.1289\/ehp.9399281"},{"key":"tx9501997b00033\/tx9501997b00033_1","volume-title":"The metabolism and disposition of hexachloro-1,3-butadiene in the rat and its relevance to nephrotoxicity. Toxicol. Appl. Pharmacol. 73, 124\u2212137","author":"Nash J. A.","year":"1984"},{"key":"tx9501997b00034\/tx9501997b00034_1","volume":"228","author":"Wolf C. R.","year":"1984","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"tx9501997b00035\/tx9501997b00035_1","doi-asserted-by":"crossref","DOI":"10.1016\/0006-2952(85)90180-7","volume-title":"Excretion pattern and metabolism of hexachlorobutadiene in rats:\u2009 evidence for metabolic activation by conjugation reations. Biochem. Pharmacol. 34, 499\u2212505","author":"Reichert D.","year":"1985"},{"key":"tx9501997b00036\/tx9501997b00036_1","unstructured":"Dekant, W., Vamvakas, S., Henschler, D., and Anders, M. W. (1988) Enzymatic conjugation of hexachloro-1,3-butadiene with glutathione:\u2009 formation of 1-(glutathione-S-yl)-1,2,3,4,4-pentachlorobuta-1,3-diene and 1,4-bis(glutathione-S-yl)-1,2,3,4-tetrachlorobuta-1,3-diene.Drug Metab. Dispos.16, 701\u2212706."},{"key":"tx9501997b00037\/tx9501997b00037_1","volume-title":"Metabolic activation of the nephrotoxic haloalkene 1,1,2-trichloro-3,3,3-trifluoro-1-propene by glutathione conjugation. Biochem. Pharmacol. 38, 2297\u22122304","author":"Vamvakas S.","year":"1989"},{"key":"tx9501997n00001\/tx9501997n00001_1","volume-title":"tetrachloroethylene","author":"Abbreviations TCE"}],"container-title":["Chemical Research in Toxicology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/tx9501997","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,10,18]],"date-time":"2021-10-18T20:50:39Z","timestamp":1634590239000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/tx9501997"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1996,1,1]]},"references-count":38,"journal-issue":{"issue":"3","published-print":{"date-parts":[[1996,1,1]]}},"alternative-id":["10.1021\/tx9501997"],"URL":"https:\/\/doi.org\/10.1021\/tx9501997","relation":{},"ISSN":["0893-228X","1520-5010"],"issn-type":[{"value":"0893-228X","type":"print"},{"value":"1520-5010","type":"electronic"}],"subject":[],"published":{"date-parts":[[1996,1,1]]}}}