自发镜像对称性破缺中手性选择性与噪声的关系。

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL Physical Chemistry Chemical Physics Pub Date : 2023-10-12 DOI:10.1039/D3CP03311B
David Hochberg, Thomas Buhse, Jean-Claude Micheau and Josep M. Ribó
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引用次数: 0

摘要

在非线性化学系统中发生的镜像对称性破坏分叉导致具有非常大对映体过量的最终手性态,即使是最小的手性极化,也可以作为一种有效的手性信号选择器。手性极化的这种影响需要系统克服热噪声的能力,热噪声表现为波动的反应速率常数。因此,我们研究了在不可避免的非平衡温度波动的情况下,在一系列微小的宇称破坏能差(PVD)上的手性选择性。我们使用随机微分方程模拟方法(Ito过程),该方法在开放系统中是一种有价值的工具,用于确定在存在非平衡温度波动的情况下手性力诱导手性选择性的阈值。这种方法使我们能够在存在其他类型的波动的情况下包括和分析手性选择性,例如流入和流出反应器的流体流速和钳位输入浓度的扰动。这些概念可能具有实际意义(即自发去序),但也有助于更好地理解控制生物同手性出现的一般原则。
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Chiral selectivity vs. noise in spontaneous mirror symmetry breaking

Mirror symmetry breaking bifurcations, that occur in nonlinear chemical systems leading to final chiral states with very large enantiomeric excess, can be exploited as an efficient chiral signal selector for even the smallest chiral polarizations. This effect of the chiral polarization requires the system's capacity for overcoming thermal noise, which is manifested as fluctuating reaction rate constants. Therefore, we investigate the chiral selectivity across a range of tiny parity-violating energy differences (PVED) in the presence of inevitable non-equilibrium temperature fluctuations. We use a stochastic differential equation simulation methodology (Ito process) that serves as a valuable tool in open systems for identifying the thresholds at which the chiral force induces chiral selectivity in the presence of non-equilibrium temperature fluctuations. This approach enables us to include and analyze chiral selectivity in the presence of other types of fluctuations, such as perturbations in the rate of fluid flow into and out of the reactor and in the clamped input concentrations. These concepts may be of practical interest (i.e., spontaneous deracemizations) but are also useful for a better understanding of the general principles governing the emergence of biological homochirality.

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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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