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Unidirectional Rotary Motion in Isotopically Chiral Molecular Motors: A Computational Analysis.
Organic Letters ( IF 5.2 ) Pub Date : 2020-08-21 , DOI: 10.1021/acs.orglett.0c02436
Jun Wang 1, 2 , Baswanth Oruganti 3 , Bo Durbeej 1
Affiliation  

Molecular dynamics simulations are performed to explore if isotopic chirality can induce unidirectional rotary motion in molecular motors operated through double-bond photoisomerizations. Using a high-quantum yield motor featuring a chemically asymmetric carbon atom as reference, it is found that isotopically chiral counterparts of this motor sustain such motion almost equally well. Overall, the study reveals a previously unexplored role for isotopic chirality in the design of rotary molecular motors.

中文翻译:

同位素手性分子马达中的单向旋转运动:计算分析。

进行分子动力学模拟以探索同位素手性是否可以在通过双键光异构化操作的分子电动机中诱导单向旋转运动。使用以化学不对称碳原子为特征的高量子产率电动机作为参考,发现该电动机的同位素手性对应物几乎可以很好地维持这种运动。总的来说,这项研究揭示了同位素手性在旋转分子马达设计中的先前未曾探索的作用。
更新日期:2020-09-20
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