Determination of acid dissociation constants (pK<sub>asub>) of cephalosporin antibiotics: Computational and experimental approaches

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• 作者：Alyson R. Ribeiro <sup>alyson.ribeiro@stud.uni-due.desup> ; Torsten C. Schmidt<sup> ; sup><sup>torsten.schmidt@uni-due.desup>
• 关键词：Antibiotics ; Cephalosporins ; pKa determination ; Spectrophotometry ; Potentiometry ; Prediction
• 刊名：Chemosphere
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：169
• 期：Complete
• 页码：524-533
• 全文大小：1417 K
• 卷排序：169

文摘

First experimentally determined pKa value for ceftiofur. Comprehensive compilation of cephalosporins' pKa values. Confirmation of ionization centers by using computational prediction. Presence of imine and aminothiazole groups caused problems in Marvin predictions.