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具有大量物种的随机化学系统的模型约简

Model reduction for stochastic chemical systems with abundant species.

作者信息

Smith Stephen, Cianci Claudia, Grima Ramon

机构信息

School of Biological Sciences, University of Edinburgh, Mayfield Road, Edinburgh EH93JR, Scotland, United Kingdom.

出版信息

J Chem Phys. 2015 Dec 7;143(21):214105. doi: 10.1063/1.4936394.

Abstract

Biochemical processes typically involve many chemical species, some in abundance and some in low molecule numbers. We first identify the rate constant limits under which the concentrations of a given set of species will tend to infinity (the abundant species) while the concentrations of all other species remains constant (the non-abundant species). Subsequently, we prove that, in this limit, the fluctuations in the molecule numbers of non-abundant species are accurately described by a hybrid stochastic description consisting of a chemical master equation coupled to deterministic rate equations. This is a reduced description when compared to the conventional chemical master equation which describes the fluctuations in both abundant and non-abundant species. We show that the reduced master equation can be solved exactly for a number of biochemical networks involving gene expression and enzyme catalysis, whose conventional chemical master equation description is analytically impenetrable. We use the linear noise approximation to obtain approximate expressions for the difference between the variance of fluctuations in the non-abundant species as predicted by the hybrid approach and by the conventional chemical master equation. Furthermore, we show that surprisingly, irrespective of any separation in the mean molecule numbers of various species, the conventional and hybrid master equations exactly agree for a class of chemical systems.

摘要

生化过程通常涉及许多化学物种,其中一些数量众多,而另一些则分子数量较少。我们首先确定速率常数的限制条件,在该条件下,给定一组物种的浓度将趋于无穷大(丰富物种),而所有其他物种的浓度保持恒定(非丰富物种)。随后,我们证明,在此极限下,非丰富物种分子数的涨落可以由一个混合随机描述准确地描述,该描述由与确定性速率方程耦合的化学主方程组成。与描述丰富和非丰富物种涨落的传统化学主方程相比,这是一种简化的描述。我们表明,对于一些涉及基因表达和酶催化的生化网络,简化的主方程可以精确求解,而其传统化学主方程描述在解析上是难以处理的。我们使用线性噪声近似来获得混合方法和传统化学主方程预测的非丰富物种涨落方差之间差异的近似表达式。此外,我们令人惊讶地表明,无论各种物种的平均分子数有何差异,对于一类化学系统,传统主方程和混合主方程完全一致。

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