The species- and site-specific acid–base properties of penicillamine and its homodisulfide

Autor:	András Szilvay, Arash Mirzahosseini, Béla Noszál
Rok vydání:	2014
Předmět:	chemistry.chemical_classification Base (chemistry) Stereochemistry Penicillamine Intermolecular force General Physics and Astronomy Protonation Molecular level chemistry Computational chemistry Evaluation methods medicine Chelation Titration Physical and Theoretical Chemistry medicine.drug
Zdroj:	Chemical Physics Letters. :62-69
ISSN:	0009-2614
DOI:	10.1016/j.cplett.2014.07.026
Popis:	Penicillamine, penicillamine disulfide and 4 related compounds were studied by 1H NMR-pH titrations and case-tailored evaluation methods. The resulting acid–base properties are quantified in terms of 14 macroscopic and 28 microscopic protonation constants and the concomitant 7 interactivity parameters. The species- and site-specific basicities are interpreted by means of inductive and shielding effects through various intra- and intermolecular comparisons. The thiolate basicities determined this way are key parameters and exclusive means for the prediction of thiolate oxidizabilities and chelate forming properties in order to understand and influence chelation therapy and oxidative stress at the molecular level.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::deb023752a7ddaac8ea4ed789f1b383f https://doi.org/10.1016/j.cplett.2014.07.026 Zobrazit plný text záznamu Full Text from ScienceDirect