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Unidirectional Rotary Motion in Isotopically Chiral Molecular Motors: A Computational Analysis.

ABSTRACT: 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.

SUBMITTER: Wang J

PROVIDER: S-EPMC7506945 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature

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Unidirectional Rotary Motion in Isotopically Chiral Molecular Motors: A Computational Analysis.

Wang Jun J Oruganti Baswanth B Durbeej Bo B

Organic letters 20200821 18

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 m ...[more]

PMID: 32822192

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