成核过程中活化能和核大小的变化解释了手性对称性的破坏。

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL
A. Arango-Restrepo, D. Barragán and J. M. Rubi
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引用次数: 0

摘要

我们表明,在结晶成核阶段,对映体核大小和活化能的变化是手性对称性破坏的原因,导致一种可能的对映体相对于另一种过量。通过将结晶过程理解为非平衡自组装过程,我们通过晶核大小的概率分布和从结晶成核阶段所涉及的自由能获得的活化能变化来量化对映体过量。我们通过将其与Kondepudi等人先前关于氯酸钠结晶的实验工作进行比较来验证我们的理论。结果表明,对映体晶体的自组装为手性对称性的破坏提供了解释。这些发现可能会在制药工业中提高对映体纯药物的生产,并增强我们对生命起源的理解,因为对映体氨基酸和单糖是生命的组成部分。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Variations in activation energy and nuclei size during nucleation explain chiral symmetry breaking

Variations in activation energy and nuclei size during nucleation explain chiral symmetry breaking

We show that variations in enantiomer nuclei size and activation energy during the nucleation stage of crystallization are responsible for the chiral symmetry breaking resulting in excess of one of the possible enantiomers with respect to the other. By understanding the crystallisation process as a non-equilibrium self-assembly process, we quantify the enantiomeric excess through the probability distribution of the nuclei size and activation energy variations which are obtained from the free energy involved in the nucleation stage of crystallisation. We validate our theory by comparing it to Kondepudi et al. previous experimental work on sodium chlorate crystallisation. The results demonstrate that the self-assembly of enantiomeric crystals provides an explanation for chiral symmetry breaking. These findings could have practical applications for improving the production of enantiopure drugs in the pharmaceutical industry, as well as for enhancing our understanding of the origins of life since enantiomeric amino acids and monosaccharides are the building blocks of life.

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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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