作者: Guillermina Estiu , Kenneth M. Merz
DOI: 10.1021/JP0677086
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摘要: The hydrolysis of small amides has garnered major attention due to its relevance peptide hydrolysis, one the most fundamental reactions biology. Both experimental and theoretical research efforts have studied reaction in different media, a consensus been reached regarding specific acid- base-catalyzed pathways. Nevertheless, for water reaction, large discrepancies between results are found literature. Herein, we report calculations formamide urea at pH values. Model systems built clustering two molecules with reactive amide. A careful analysis pathways temperatures allowed us accurately reproduce available data separate from their acid base counterparts. providing an accurate definition proficiency amidohydrolases is discussed.