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2D Ising Model for Adsorption-induced Enantiopurification of Racemates
Authors:Dr. Soham Dutta  Prof. Yongju Yun  Prof. Michael Widom  Prof. Andrew J. Gellman
Affiliation:1. Department of Chemical Engineering, Carnegie Mellon University, 5000 Forbes Ave, Pittsburgh, PA 15213 USA;2. Department of Chemical Engineering, Carnegie Mellon University, 5000 Forbes Ave, Pittsburgh, PA 15213 USA

Department of Chemical Engineering, Pohang University of Science and Technology (POSTECH), Pohang, Geongbyuk, 37673 Republic of Korea;3. Department of Physics, Carnegie Mellon University, 5000 Forbes Ave, Pittsburgh, PA, 15213 USA

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.
Keywords:Adsorption  amino acids  chirality  enantiomers  Ising model
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