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Electronic Substituent Effects of Guests on the Conformational Network and Binding Behavior of Oxatub[4]arene
The Journal of Organic Chemistry ( IF 3.6 ) Pub Date : 2017-09-13 00:00:00 , DOI: 10.1021/acs.joc.7b01914
Fei Jia 1, 2 , Liu-Pan Yang 1 , Dong-Hao Li 1 , Wei Jiang 1
Affiliation  

A series of quaternary ammonium guests have been synthesized, and their binding behavior with oxatub[4]arene have been studied. In particular, remote electronic substituents of the guests can significantly affect the binding affinities mainly through a field/inductive effect by following a linear free energy relationship. More surprisingly, oxatub[4]arene, with a complex conformational network, shows a large amplitude of conformational change in response to the remote electronic substituents on the guests. This novel mode of synthetic molecular recognition may also have biological relevance.

中文翻译:

来宾对构象网络和Oxatub [4] arene的结合行为的电子取代效应

合成了一系列季铵客体,并研究了它们与恶唑[4]芳烃的结合行为。特别地,客体的远程电子取代基可以主要通过遵循线性自由能关系的场/感应效应来显着影响结合亲和力。更令人惊讶的是,具有复杂构象网络的oxatub [4]芳烃响应于客体上的远程电子取代基而显示出大的构象变化幅度。这种新颖的合成分子识别方式也可能具有生物学意义。
更新日期:2017-09-13
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