分子离散性诱导的反应网络中的开关动力学
Switching Dynamics in Reaction Networks Induced by Molecular Discreteness
摘要：
为了研究化学反应过程中的涨落和动力学，通常采用基于含化学浓度的速率方程的随机微分方程。然而，当分子数很小时，分子数的离散性不能忽略，因为分子数必须是整数。这种离散性在生化反应中可能很重要，其中分子的总数并不明显大于化学物质的数量。为了阐明这种离散性的影响，我们研究了自催化反应系统，包括几个化学物种，通过随机粒子模拟。观察到新的状态的产生;它是由一些分子物种由于其数量的离散性而灭绝引起的。我们证明了反应动力学是由一个单一的分子，这导致了重建的作用网络结构。我们还显示了强烈的依赖性的化学浓度上的系统的大小，这是由过渡到离散性引起的新的状态。
英文摘要：
To study the fluctuations and dynamics in chemical reaction processes, stochastic differential equations based on the rate equation involving chemical concentrations are often adopted. When the number of molecules is very small, however, the discreteness in the number of molecules cannot be neglected since the number of molecules must be an integer. This discreteness can be important in biochemical reactions, where the total number of molecules is not significantly larger than the number of chemical species. To elucidate the effects of such discreteness, we study autocatalytic reaction systems comprising several chemical species through stochastic particle simulations. The generation of novel states is observed; it is caused by the extinction of some molecular species due to the discreteness in their number. We demonstrate that the reaction dynamics are switched by a single molecule, which leads to the reconstruction of the acting network structure. We also show the strong dependence of the chemical concentrations on the system size, which is caused by transitions to discreteness-induced novel states.
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