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Multiscale analysis of reaction networks.
Theory in Biosciences ( IF 1.1 ) Pub Date : 2008-04-30 , DOI: 10.1007/s12064-008-0036-x
Luca Sbano 1 , Markus Kirkilionis
Affiliation  

In most natural sciences there is currently the insight that it is necessary to bridge gaps between different processes which can be observed on different scales. This is especially true in the field of chemical reactions where the different abilities to form bonds between different types of atoms and molecules create much of the properties we experience in our everyday life, especially in all biological activity. There are essentially two types of processes related to biochemical reaction networks, the interactions among molecules and interactions involving their conformational changes, so in a sense, their internal state. The first type of processes can be conveniently approximated by the so-called mass-action kinetics, but this is not necessarily so for the second kind: here molecular states do not define any kind of density or concentration. In this paper, we demonstrate the necessity to study reaction networks in a stochastic formulation for which we can construct a coherent approximation in terms of specific space-time scales and the number of particles. The continuum limit procedure naturally creates equations of Fokker-Planck type where the evolution of the concentration occurs on a slower time scale when compared to the evolution of the conformational changes, for example triggered by binding or unbinding events with other (typically smaller) molecules. We apply the asymptotic theory to derive the effective, i.e. macroscopic dynamics of a general biochemical reaction system. The theory can also be applied to other processes where entities can be described by finitely many internal states, with changes of states occurring by arrival of other entities described by a birth-death process.

中文翻译:

反应网络的多尺度分析。

在大多数自然科学中,目前有必要弥合可以在不同尺度上观察到的不同过程之间的差距。在化学反应领域尤其如此,不同类型的原子和分子之间形成键的不同能力创造了我们在日常生活中体验到的许多特性,尤其是在所有生物活动中。与生化反应网络相关的过程基本上有两种类型,分子之间的相互作用和涉及其构象变化的相互作用,从某种意义上说,它们的内部状态。第一种类型的过程可以通过所谓的质量作用动力学方便地近似,但对于第二种过程则不一定:这里的分子状态不定义任何类型的密度或浓度。在本文中,我们证明了在随机公式中研究反应网络的必要性,我们可以根据特定的时空尺度和粒子数量构建一个相干的近似值。连续统限制程序自然地创建了 Fokker-Planck 类型的方程,其中与构象变化的演变相比,浓度的演变发生在较慢的时间尺度上,例如由与其他(通常较小)分子的结合或解除结合事件触发。我们应用渐近理论推导出有效的,即一般生化反应系统的宏观动力学。该理论也可以应用于其他过程,其中实体可以由有限多个内部状态来描述,
更新日期:2019-11-01
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