{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,24]],"date-time":"2026-10-24T02:35:48Z","timestamp":1792809348021,"version":"4.5.0"},"reference-count":48,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2017,9,1]],"date-time":"2017-09-01T00:00:00Z","timestamp":1504224000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"published-print":{"date-parts":[[2017,9]]},"DOI":"10.1016\/j.saa.2017.05.025","type":"journal-article","created":{"date-parts":[[2017,5,11]],"date-time":"2017-05-11T18:18:49Z","timestamp":1494526729000},"page":"308-317","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":8,"special_numbering":"C","title":["Theoretical spectroscopic insights of tautomers and enantiomers of penicillamine"],"prefix":"10.1016","volume":"184","author":[{"given":"J.","family":"Mendes","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"K.J.","family":"de Almeida","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"J.L.","family":"Neto","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"T.C.","family":"Ramalho","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"H.A.","family":"Duarte","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"9","key":"10.1016\/j.saa.2017.05.025_bb0005","doi-asserted-by":"crossref","first-page":"1594","DOI":"10.1093\/rheumatology\/kew214","article-title":"Disease-modifying anti-rheumatic drugs and non-melanoma skin cancer in inflammatory arthritis patients: a retrospective cohort study","volume":"55","author":"Lange","year":"2016","journal-title":"Rheumatology"},{"key":"10.1016\/j.saa.2017.05.025_bb0010","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1007\/s11010-014-2065-8","article-title":"D-penicillamine-induced granulomatous hepatitis in Brown Norway rats","volume":"393","author":"Metushi","year":"2014","journal-title":"Mol. Cell. Biochem."},{"issue":"4","key":"10.1016\/j.saa.2017.05.025_bb0015","doi-asserted-by":"crossref","first-page":"545","DOI":"10.1002\/1531-8257(199907)14:4<545::AID-MDS1001>3.0.CO;2-U","article-title":"The treatment of first choice for patients with Wilson's disease","volume":"14","author":"Walshe","year":"1999","journal-title":"Mov. Disord."},{"issue":"4","key":"10.1016\/j.saa.2017.05.025_bb0020","doi-asserted-by":"crossref","first-page":"487","DOI":"10.1016\/0002-9343(56)90066-3","article-title":"Penicillamine, a new oral therapy for Wilson's disease","volume":"21","author":"Walshe","year":"1956","journal-title":"Am. J. Med."},{"issue":"C","key":"10.1016\/j.saa.2017.05.025_bb0025","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1016\/S0020-1693(00)84154-7","article-title":"Complexes of sulphur-containing ligands. III. Formation of mixed valence complexes of copper with L-cysteine and its Derivatives","volume":"46","author":"S\u00f3v\u00e1g\u00f3","year":"1980","journal-title":"Inorg. Chim. Acta"},{"issue":"7","key":"10.1016\/j.saa.2017.05.025_bb0030","doi-asserted-by":"crossref","first-page":"925","DOI":"10.2174\/092986610791306760","article-title":"N-(tert)-butyloxycarbonyl-cyclopentyl-cysteine (acetamidomethyl)-methyl ester for synthesis of novel peptidomimetic derivatives","volume":"17","author":"Mollica","year":"2010","journal-title":"Protein Pept. Lett."},{"key":"10.1016\/j.saa.2017.05.025_bb0035","doi-asserted-by":"crossref","first-page":"236","DOI":"10.1248\/jhs1956.39.3_236","article-title":"Comparative nephrotoxicity of cadmium and mercury administered intravenously with penicillamine into mice","volume":"39","author":"Maitani","year":"1993","journal-title":"Jpn. J. Toxicol. Environ. Health"},{"issue":"2","key":"10.1016\/j.saa.2017.05.025_bb0040","doi-asserted-by":"crossref","first-page":"282","DOI":"10.1016\/0014-5793(88)80038-3","article-title":"D-penicillamine inhibits transactivation of human immunodeficiency virus type-1 (HIV-1) LTR by transactivator protein","volume":"236","author":"Chandra","year":"1988","journal-title":"FEBS Lett."},{"key":"10.1016\/j.saa.2017.05.025_bb0045","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1016\/S0162-0134(00)80020-3","article-title":"The formation and nature of the mixed valence copper\u2014D-penicillamine\u2014chloride cluster in aqueous solution and its relevance to the treatment of Wilson's disease","volume":"11","author":"Laurie","year":"1979","journal-title":"J. Inorg. Biochem."},{"issue":"6","key":"10.1016\/j.saa.2017.05.025_bb0050","doi-asserted-by":"crossref","first-page":"697","DOI":"10.1007\/s40846-015-0087-7","article-title":"Combination therapy using chelating agent and zinc for Wilson's disease","volume":"35","author":"Chen","year":"2015","journal-title":"J. Med. Biol. Eng."},{"issue":"27","key":"10.1016\/j.saa.2017.05.025_bb0055","doi-asserted-by":"crossref","first-page":"5553","DOI":"10.1039\/C5TB00189G","article-title":"Biocompatible D-penicillamine conjugated Au nanoparticles: targeting intracellular free copper ions for detoxification","volume":"3","author":"Kandanapitiye","year":"2015","journal-title":"J. Mater. Chem. B"},{"key":"10.1016\/j.saa.2017.05.025_bb0060","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1016\/j.jtemb.2014.04.010","article-title":"Chelation therapy in intoxications with mercury, lead and copper","volume":"31","author":"Cao","year":"2015","journal-title":"J. Trace Elem. Med. Biol."},{"issue":"4","key":"10.1016\/j.saa.2017.05.025_bb0065","doi-asserted-by":"crossref","first-page":"599","DOI":"10.1111\/ene.12348","article-title":"D-penicillamine versus zinc sulfate as first-line therapy for Wilson's disease","volume":"21","author":"Czlonkowska","year":"2014","journal-title":"Eur. J. Neurol."},{"issue":"2","key":"10.1016\/j.saa.2017.05.025_bb0070","doi-asserted-by":"crossref","first-page":"468","DOI":"10.1016\/j.tvjl.2013.03.003","article-title":"urinary excretion of copper, zinc and iron with and without D-penicillamine administration in relation to hepatic copper concentration in dogs","volume":"197","author":"Fieten","year":"2013","journal-title":"Vet. J."},{"issue":"1\u20133","key":"10.1016\/j.saa.2017.05.025_bb0075","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/S0014-5793(02)02468-7","article-title":"Docking studies reveal a selective binding of D-penicillamine to the transactivator protein of human immunodeficiency virus type 1","volume":"516","author":"Demirhan","year":"2002","journal-title":"FEBS Lett."},{"issue":"5","key":"10.1016\/j.saa.2017.05.025_bb0080","doi-asserted-by":"crossref","first-page":"330","DOI":"10.1002\/anie.197503301","article-title":"D-penillamine production and properties","volume":"14","author":"Weigert","year":"1975","journal-title":"Angew. Chem."},{"issue":"5","key":"10.1016\/j.saa.2017.05.025_bb0085","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1007\/BF01161297","article-title":"The crystal structure of racemic DL-penicillamine and a spectroscopic study of D-penicillamine","volume":"13","author":"Howard-Lock","year":"1983","journal-title":"J. Crystallogr. Spectrosc. Res."},{"issue":"60907044","key":"10.1016\/j.saa.2017.05.025_bb0090","first-page":"1","article-title":"Terahertz identification and quantification of penicillamine enantiomers","volume":"24","author":"Te","year":"2013","journal-title":"Nucl. Sci. Tech."},{"issue":"1\u20132","key":"10.1016\/j.saa.2017.05.025_bb0095","doi-asserted-by":"crossref","first-page":"28","DOI":"10.1016\/j.chemphys.2009.12.006","article-title":"Conformational study of chiral penicillamine ligand on optically active silver nanoclusters with IR and VCD spectroscopy","volume":"368","author":"Yao","year":"2010","journal-title":"Chem. Phys."},{"issue":"4","key":"10.1016\/j.saa.2017.05.025_bb0100","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1039\/B511146C","article-title":"D-penicillamine adsorption on gold: an in situ ATR-IR and QCM study","volume":"8","author":"Bieri","year":"2006","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"12","key":"10.1016\/j.saa.2017.05.025_bb0105","doi-asserted-by":"crossref","first-page":"1328","DOI":"10.1002\/cphc.200300890","article-title":"Co-conformational distribution of nanosized [2] catenanes determined by pulse EPR measurements","volume":"4","author":"Jeschke","year":"2003","journal-title":"ChemPhysChem"},{"issue":"7","key":"10.1016\/j.saa.2017.05.025_bb0110","doi-asserted-by":"crossref","first-page":"1569","DOI":"10.1063\/1.1733329","article-title":"Crystal spectrum of copper acetylacetone","volume":"37","author":"Ferguson","year":"1962","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2017.05.025_bb0115","doi-asserted-by":"crossref","first-page":"419","DOI":"10.1016\/j.saa.2012.10.022","article-title":"Temperature-dependent structural change of D-penicillamine-capped chiral gold nanoparticles investigated by infrared spectroscopy","volume":"102","author":"Ock","year":"2013","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"issue":"1","key":"10.1016\/j.saa.2017.05.025_bb0120","doi-asserted-by":"crossref","first-page":"2597","DOI":"10.1139\/v73-392","article-title":"The interaction of organomercury pollutants with biologically important sites: an X-ray study of the 2:1 complex between methylmercury and penicillamine","volume":"51","author":"Wong","year":"1973","journal-title":"Can. J. Chem."},{"issue":"22","key":"10.1016\/j.saa.2017.05.025_bb0125","doi-asserted-by":"crossref","first-page":"3674","DOI":"10.1002\/ejic.201500421","article-title":"Mercury complexes with tripodal pseudopeptides derived from D-penicillamine favors a HgS3 coordination","volume":"2015","author":"Jullien","year":"2015","journal-title":"Eur. J. Inorg. Chem."},{"key":"10.1016\/j.saa.2017.05.025_bb0130","doi-asserted-by":"crossref","first-page":"2877","DOI":"10.1021\/ic50223a027","article-title":"Synthesis, structure, and properties of cluster compounds with D-penicillamine containing CuI, CuII, AgI, NiII, and PdII","volume":"20","author":"Birker","year":"1981","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2017.05.025_bb0135","doi-asserted-by":"crossref","first-page":"3967","DOI":"10.1021\/ic00020a036","article-title":"Structure and properties of bis(D-penicillaminato-N,S)nickelate(II) tetrahydrate: a monomeric nickel complex of D-penicillamine, the antidote for nickel toxicity","volume":"30","author":"Baidya","year":"1991","journal-title":"Inorg. Chem."},{"issue":"19","key":"10.1016\/j.saa.2017.05.025_bb0140","first-page":"3343","article-title":"Pd(II) and Pd(II) D-penicillamine complexes. Crystal structure of a tridentate D-penicillamine cluster of Pd(II)","volume":"17","author":"Cervantes","year":"1998","journal-title":"Pergamon."},{"key":"10.1016\/j.saa.2017.05.025_bb0145","first-page":"323","article-title":"Isolation of the first crystalline D-penicillamine complex of iron","volume":"325","author":"Mertz","year":"1992","journal-title":"Naturwissenschaften"},{"issue":"2","key":"10.1016\/j.saa.2017.05.025_bb0150","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","article-title":"Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density","volume":"37","author":"Lee","year":"1988","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.saa.2017.05.025_bb0155","doi-asserted-by":"crossref","first-page":"618","DOI":"10.1103\/PhysRev.46.618","article-title":"Note on an approximation treatment for many-electron systems","volume":"46","author":"M\u00d8ller","year":"1934","journal-title":"Phys. Rev."},{"issue":"15","key":"10.1016\/j.saa.2017.05.025_bb0160","doi-asserted-by":"crossref","first-page":"6532","DOI":"10.1063\/1.481224","article-title":"A complete basis set model chemistry. VII. Use of the minimum population localization method","volume":"112","author":"Montgomery","year":"2000","journal-title":"J. Chem. Phys."},{"issue":"25","key":"10.1016\/j.saa.2017.05.025_bb0165","doi-asserted-by":"crossref","first-page":"6102","DOI":"10.1021\/jp020124t","article-title":"Polarizable continuum model (PCM) calculations of solvent effects on optical rotations of chiral molecules","volume":"106","author":"Risorgimento","year":"2002","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.saa.2017.05.025_bb0170","doi-asserted-by":"crossref","first-page":"3467","DOI":"10.1021\/acs.jpcb.5b11825","article-title":"Exploration of binding interactions of Cu2+ with D-penicillamine and its O- and Se-analogues in both gas and aqueous phases: a theoretical approach","volume":"120","author":"Ash","year":"2016","journal-title":"J. Phys. Chem. B"},{"issue":"4","key":"10.1016\/j.saa.2017.05.025_bb0175","doi-asserted-by":"crossref","first-page":"1736","DOI":"10.1063\/1.449360","article-title":"Natural localized molecular orbitals","volume":"83","author":"Reed","year":"1985","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2017.05.025_bb0180","unstructured":"Gaussian 09, Revision D.01, Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G. A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H. P., Izmaylov, A. F., Bloino, J., Zheng, G., Sonnenberg, J. L., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E., Kudin, K. N., Staroverov, V. N., Kobayashi, R.; Normand, J., Raghavachari, K., Rendell, A., Burant, J. C., Iyengar, S. S., Tomasi, J., Cossi, M., Rega, N., Millam, J. M., Klene, M., Knox, J. E., Cross, J. B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R. E., Yazyev, O., Austin, A. J., Cammi, R., Pomelli, C., Ochterski, J. W., Martin, R. L., Morokuma, K., Zakrzewski, V. G., Voth, G. A., Salvador, P., Dannenberg, J. J., Dapprich, S., Daniels, A. D., Farkas, O., \u20ac Foresman, J. B., Ortiz, J. V., Cioslowski, J., Fox, D. J. Gaussian, Inc., Wallingford CT, 2009."},{"issue":"10","key":"10.1016\/j.saa.2017.05.025_rf0180","doi-asserted-by":"crossref","first-page":"5639","DOI":"10.1063\/1.438980","article-title":"Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11\u201318","volume":"72","author":"McLean","year":"1980","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2017.05.025_rf0185","doi-asserted-by":"crossref","first-page":"12522","DOI":"10.1021\/jp108104g","volume":"114","author":"Jaworska","year":"2010","journal-title":"J. Phys. Chem. A"},{"issue":"6","key":"10.1016\/j.saa.2017.05.025_bb0190","doi-asserted-by":"crossref","first-page":"702","DOI":"10.1007\/s00775-006-0138-1","article-title":"A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry","volume":"11","author":"Neese","year":"2006","journal-title":"J. Biol. Inorg. Chem."},{"issue":"4","key":"10.1016\/j.saa.2017.05.025_bb0195","doi-asserted-by":"crossref","first-page":"2571","DOI":"10.1063\/1.463096","article-title":"Fully optimized contracted Gaussian-basis sets for atoms li to Kr","volume":"97","author":"Sch\u00e4fer","year":"1992","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2017.05.025_bb0200","first-page":"101e107","article-title":"Crystal and molecular structure of 4-carboxypiperidinium chloride","volume":"827","author":"Szafran","year":"2007","journal-title":"J. Mol. Struct. THEOCHEM"},{"key":"10.1016\/j.saa.2017.05.025_bb0205","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1016\/j.saa.2011.12.067","article-title":"Spectroscopic investigation and NLO, HOMO-LUMO, NBO analysis of organic 2, 4, 5-trichloroaniline","volume":"89","author":"Govindarajan","year":"2012","journal-title":"Spectrochim. Acta A"},{"key":"10.1016\/j.saa.2017.05.025_bb0210","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1016\/S0924-2031(99)00064-8","article-title":"Vibrational analysis of Uhle's ketone and its oxidized tautomeric Derivatives","volume":"20","author":"Egyed","year":"2000","journal-title":"Vib. Spectrosc."},{"key":"10.1016\/j.saa.2017.05.025_bb0215","doi-asserted-by":"crossref","first-page":"12459","DOI":"10.1021\/ic5018714","article-title":"Lead(II) binding to the chelating agent D-penicillamine in aqueous solution","volume":"53","author":"Sisombath","year":"2014","journal-title":"Inorg. Chem."},{"issue":"2","key":"10.1016\/j.saa.2017.05.025_bb0220","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/S0162-0134(99)00044-6","article-title":"1H NMR studies of the reactions of copper(I) and copper(II) with D-penicillamine and glutathione","volume":"75","author":"Kato","year":"1999","journal-title":"J. Inorg. Biochem."},{"key":"10.1016\/j.saa.2017.05.025_bb0225","doi-asserted-by":"crossref","first-page":"S660","DOI":"10.1088\/0957-4484\/15\/10\/026","volume":"15","author":"Li","year":"2004","journal-title":"Nanotechnology"},{"key":"10.1016\/j.saa.2017.05.025_bb0230","doi-asserted-by":"crossref","first-page":"3055","DOI":"10.1021\/cr050312q","volume":"106","author":"Boehr","year":"2006","journal-title":"Chem. Rev."},{"issue":"46","key":"10.1016\/j.saa.2017.05.025_bb0235","doi-asserted-by":"crossref","first-page":"13504","DOI":"10.1021\/jp201576u","article-title":"Thermal and solvent effects on NMR indirect spin \u00c0 spin coupling constants of a prototypical Chagas disease drug","volume":"115","author":"Ramalho","year":"2011","journal-title":"J. Phys. Chem. A"}],"container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142517304018?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142517304018?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2018,9,1]],"date-time":"2018-09-01T23:25:14Z","timestamp":1535844314000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386142517304018"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,9]]},"references-count":48,"alternative-id":["S1386142517304018"],"URL":"https:\/\/doi.org\/10.1016\/j.saa.2017.05.025","relation":{},"ISSN":["1386-1425"],"issn-type":[{"value":"1386-1425","type":"print"}],"subject":[],"published":{"date-parts":[[2017,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Theoretical spectroscopic insights of tautomers and enantiomers of penicillamine","name":"articletitle","label":"Article Title"},{"value":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.saa.2017.05.025","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2017 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}]}}