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Ultraviolet\u2013visible (UV-vis) spectra of the 10 mM Pb(II) solutions consistently showed an absorption peak at 298 nm for S\u2013 \u2192 Pb(II) ligand-to-metal charge-transfer. The downfield 13C NMR chemical shift for the penicillamine COO\u2013 group confirmed Pb(II) coordination. The 207Pb NMR chemical shifts were confined to a narrow range between 1806 ppm and 1873 ppm for all Pb(II)-penicillamine solutions, indicating only small variations in the speciation, even in large penicillamine excess. Those chemical shifts are considerably deshielded, relative to the solid-state 207Pb NMR isotropic chemical shift of 909 ppm obtained for crystalline penicillaminatolead(II) with Pb(S,N,O-Pen) coordination. The Pb LIII-edge extended X-ray absorption fine structure (EXAFS) spectra obtained for these solutions were well-modeled with two Pb\u2013S and two Pb-(N\/O) bonds with mean distances 2.64 \u00b1 0.04 \u00c5 and 2.45 \u00b1 0.04 \u00c5, respectively. The combined spectroscopic results, reporting \u03b4(207Pb) \u2248 1870 ppm and \u03bbmax \u2248 298 nm for a PbIIS2NO site, are consistent with a dominating 1:2 lead(II):penicillamine complex with [Pb(S,N,O-Pen)(S-HnPen)]2\u2013n (n = 0\u20131) coordination in alkaline solutions, and provide useful structural information on how penicillamine can function as an antidote against lead toxicity in vivo.<\/jats:p>","DOI":"10.1021\/ic5018714","type":"journal-article","created":{"date-parts":[[2014,11,11]],"date-time":"2014-11-11T07:42:55Z","timestamp":1415691775000},"page":"12459-12468","source":"Crossref","is-referenced-by-count":45,"title":["Lead(II)\nBinding to the Chelating Agent\n                    <scp>d<\/scp>\n                    -Penicillamine in\nAqueous Solution"],"prefix":"10.1021","volume":"53","author":[{"given":"Natalie S.","family":"Sisombath","sequence":"first","affiliation":[{"name":"University of Calgary , , 2500 University Drive NW , , ,","place":["Calgary, Alberta, Canada, T2N 1N4"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Farideh","family":"Jalilehvand","sequence":"additional","affiliation":[{"name":"University of Calgary , , 2500 University Drive NW , , ,","place":["Calgary, Alberta, Canada, T2N 1N4"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adam C.","family":"Schell","sequence":"additional","affiliation":[{"name":"University of Calgary , , 2500 University Drive NW , , ,","place":["Calgary, Alberta, Canada, T2N 1N4"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qiao","family":"Wu","sequence":"additional","affiliation":[{"name":"University of Calgary , , 2500 University Drive NW , , ,","place":["Calgary, Alberta, Canada, T2N 1N4"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2014,11,11]]},"reference":[{"key":"2026090216125153400_cit1","doi-asserted-by":"crossref","first-page":"4245","DOI":"10.1021\/cr020730k","volume":"104","author":"Winter","year":"2004","journal-title":"Chem. 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