A Theoretical Analysis of the Differential Chemical Reaction Results Caused by Chirality Induction-Reference-Cited by-同舟云学术

A Theoretical Analysis of the Differential Chemical Reaction Results Caused by Chirality Induction

Published:2023-08-28 Issue:17 Volume:28 Page:6286
ISSN:1420-3049
Container-title:Molecules
language:en
Short-container-title:Molecules

Author:

Zhang Feng-Yu¹,Liu Sicheng¹,Huang Anwei²,Li Yi-Ning¹,Liu Xiao-Yan¹,Zhang Peng¹^ORCID

Affiliation:

1. School of Space Science and Physics, Shandong University, Weihai 264209, China

2. School of Basic Medicine, Shanxi Medical University, Jinzhong 030600, China

Abstract

The theory of electron spin has been proposed for a century, but the study of quantum effects in biological molecules is still in its infancy. Chirality-induced spin selectivity (CISS) is a very modern theory that can explain many biochemical phenomena. In this paper, we propose a new theoretical model based on CISS theory and quantum chemistry theory, which can well explain the theoretical explanation of the chiral selectivity of chiral proteins. Moreover, this theory can predict the spin state of corresponding chiral molecules. Taking the L-DOPA and AADC enzymes as examples, this theoretical model elucidates the AADC enzyme’s chiral catalysis selectivity and successfully predicts the spin state of L-DOPA and D-DOPA’s valence electrons.

Funder

Shandong Provincial Natural Science

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

Link

https://www.mdpi.com/1420-3049/28/17/6286/pdf

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