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

Autor:	Feng-Yu Zhang, Sicheng Liu, Anwei Huang, Yi-Ning Li, Xiao-Yan Liu, Peng Zhang
Jazyk:	angličtina
Rok vydání:	2023
Předmět:	chiral drugs chirality-induced spin selectivity (CISS) chiral enzymes L-DOPA AADC enzyme Organic chemistry QD241-441
Zdroj:	Molecules, Vol 28, Iss 17, p 6286 (2023)
Druh dokumentu:	article
ISSN:	28176286 1420-3049
DOI:	10.3390/molecules28176286
Popis:	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.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/890e03cd6c0a479bb004312273a9e830 Zobrazit plný text záznamu View record in DOAJ Plný text ve formátu PDF Plný text ve formátu HTML
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