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主体-客体相互作用的同位素效应;非共价氯同位素效应。

Isotopic Consequences of Host-Guest Interactions; Noncovalent Chlorine Isotope Effects.

机构信息

Department of Organic Chemistry, Faculty of Pharmacy, Medical University of Lublin, Chodźki 4a, 20-093 Lublin, Poland.

Institute of Applied Radiation Chemistry, Faculty of Chemistry, Lodz University of Technology, Żeromskiego 116, 90-924 Lodz, Poland.

出版信息

J Phys Chem B. 2021 Feb 25;125(7):1874-1880. doi: 10.1021/acs.jpcb.0c10691. Epub 2021 Feb 11.

Abstract

Although weak intermolecular interactions are the essence of most processes of key importance in medicine, industry, environment, and life cycles, their characterization is still not sufficient. Enzymatic dehalogenations that involve chloride anion interaction within a host-guest framework is one of the many examples. Recently published experimental results on host-guest systems provided us with models suitable to assess isotopic consequences of these noncovalent interactions. Herein, we report the influence of environmental and structural variations on chlorine isotope effects. We show that these effects, although small, may obscure mechanistic interpretations, as well as analytical protocols of dehalogenation processes.

摘要

虽然弱的分子间相互作用是医学、工业、环境和生命周期中大多数关键过程的本质,但它们的特征描述仍然不够充分。涉及氯阴离子在主体-客体框架内相互作用的酶促脱卤反应就是众多例子之一。最近发表的关于主体-客体体系的实验结果为我们提供了适合评估这些非共价相互作用的同位素后果的模型。在这里,我们报告了环境和结构变化对氯同位素效应的影响。我们表明,这些效应虽然很小,但可能会掩盖脱卤过程的机制解释以及分析方案。

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