том 24 издание 18

A Complex Reaction Network Model for Spontaneous Mirror Symmetry Breaking in Viedma Deracemizations

Тип публикацииJournal Article
Дата публикации2023-07-24
SCImago Q2
WOS Q2
БС2
SJR0.54
CiteScore3.7
Impact factor2.4
ISSN14394235, 14397641
Physical and Theoretical Chemistry
Atomic and Molecular Physics, and Optics
Краткое описание

Attrition‐enhanced chiral symmetry breaking in crystals, known as Viedma deracemization, is a promising method for converting racemic solid phases into enantiomerically pure ones under non‐equilibrium conditions. However, many aspects of this process remain unclear. In this study, we present a new investigation into Viedma deracemization using a comprehensive kinetic rate equation continuous model based on classical primary nucleation theory, crystal growth, and Ostwald ripening. Our approach employs a fully microreversible kinetic scheme with a size‐dependent solubility following the Gibbs–Thomson rule. To validate our model, we use data from a real NaClO3 deracemization experiment. After parametrization, the model shows spontaneous mirror symmetry breaking (SMSB) under grinding. Additionally, we identify a bifurcation scenario with a lower and upper limit of the grinding intensity that leads to deracemization, including a minimum deracemization time within this window. Furthermore, this model uncovers that SMSB is caused by multiple instances of concealed high‐order autocatalysis. Our findings provide new insights into attrition‐enhanced deracemization and its potential applications in chiral molecule synthesis and understanding biological homochirality.

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Crystal Growth and Design
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Physical Chemistry Chemical Physics
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Chemistry - An Asian Journal
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ChemPhysChem
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Wiley
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American Chemical Society (ACS)
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Royal Society of Chemistry (RSC)
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
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ГОСТ |
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Noble‐Terán M. E. et al. A Complex Reaction Network Model for Spontaneous Mirror Symmetry Breaking in Viedma Deracemizations // ChemPhysChem. 2023. Vol. 24. No. 18.
ГОСТ со всеми авторами (до 50) Скопировать
Noble‐Terán M. E., Cruz J., Cruz Rosas H. I., Buhse T., Micheau J. A Complex Reaction Network Model for Spontaneous Mirror Symmetry Breaking in Viedma Deracemizations // ChemPhysChem. 2023. Vol. 24. No. 18.
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TY - JOUR
DO - 10.1002/cphc.202300318
UR - https://doi.org/10.1002/cphc.202300318
TI - A Complex Reaction Network Model for Spontaneous Mirror Symmetry Breaking in Viedma Deracemizations
T2 - ChemPhysChem
AU - Noble‐Terán, María E.
AU - Cruz, José‐Manuel
AU - Cruz Rosas, Hugo I
AU - Buhse, Thomas
AU - Micheau, Jean-Claude
PY - 2023
DA - 2023/07/24
PB - Wiley
IS - 18
VL - 24
PMID - 37428998
SN - 1439-4235
SN - 1439-7641
ER -
BibTex
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BibTex (до 50 авторов) Скопировать
@article{2023_Noble‐Terán,
author = {María E. Noble‐Terán and José‐Manuel Cruz and Hugo I Cruz Rosas and Thomas Buhse and Jean-Claude Micheau},
title = {A Complex Reaction Network Model for Spontaneous Mirror Symmetry Breaking in Viedma Deracemizations},
journal = {ChemPhysChem},
year = {2023},
volume = {24},
publisher = {Wiley},
month = {jul},
url = {https://doi.org/10.1002/cphc.202300318},
number = {18},
doi = {10.1002/cphc.202300318}
}
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