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2D ising model for adsorption-induced enantiopurification of racemates

Title
2D ising model for adsorption-induced enantiopurification of racemates
Authors
Dutta, SohamYun, YongjuWidom, MichaelGellman, Andrew J.
Date Issued
Jan-2021
Publisher
Wiley-VCH Verlag
Abstract
Mechanisms for the spontaneous transformation of achiral chemical systems into states of enantiomeric purity have important ramifications in modern pharmacology and potential relevance to the origins of homochirality in life on Earth. Such mechanisms for enantiopurification are needed for production of chiral pharmaceuticals and other bioactive compounds. Previously proposed chemical mechanisms leading from achiral systems to near homochirality are initiated by a symmetry-breaking step resulting in a minor excess of one enantiomer via statistical fluctuations in enantiomer concentrations. Subsequent irreversible processes then amplify the majority enantiomer concentration while simultaneously suppressing minority enantiomer production. Herein, equilibrium adsorption of amino acid enantiomer mixtures onto chiral and achiral surfaces reveals amplification of surface enantiomeric excess relative to the gas phase; i. e. enantiopurification of chiral adsorbates by adsorption. This adsorption-induced amplification of enantiomeric excess is shown to be well-describe by the 2D Ising model. More importantly, the 2D-Ising model predicts formation of homochiral monolayers from adsorption of racemic mixtures or prochiral molecules on achiral surfaces; i. e. enantiopurification with no apparent chiral driving force. ? 2020 Wiley-VCH GmbH
URI
http://oasis.postech.ac.kr/handle/2014.oak/104928
ISSN
1439-4235
Article Type
Article
Citation
ChemPhysChem, vol. 22, no. 2, page. 197 - 203, 2021-01
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윤용주YUN, YONGJU
Dept. of Chemical Enginrg
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