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arXiv 0803.1385q-bio.MN
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复杂反应网络的反应子分解

Decomposition of Complex Reaction Networks into Reactons

Raphaël Plasson, Hugues Bersini, Axel Brandenburg

摘要:

复杂反应网络的分析在多个化学和生物化学领域(星际化学、生命前化学、反应机理等)中具有重要意义。在这篇文章中,我们建议同时完善和扩展一般的化学反应系统的形式主义最初介绍的代谢网络的描述。通过计算右零空间的经典方法导致网络分解成与所有代谢物有关的复杂反应“循环”。我们展示了如何从左零空间计算出发,通量分析可以解耦成线性通量和单回路,允许更精细的定性分析作为这些局部通量之间的对抗和连接的函数。这种分析是通过将分子分解成称为“反应子”的基本亚单元,以及随后将整个网络分解成简单的一阶一元部分反应来实现的,所述一阶一元部分反应与反应子从一个分子到另一个分子的简单转移有关。本文解释并证明了算法步骤,导致总的反应网络分解成其基本的组成部分。

英文摘要:

The analysis of complex reaction networks is of great importance in several chemical and biochemical fields (interstellar chemistry, prebiotic chemistry, reaction mechanism, etc). In this article, we propose to simultaneously refine and extend for general chemical reaction systems the formalism initially introduced for the description of metabolic networks. The classical approaches through the computation of the right null space leads to the decomposition of the network into complex ``cycles'' of reactions concerned with all metabolites. We show how, departing from the left null space computation, the flux analysis can be decoupled into linear fluxes and single loops, allowing a more refine qualitative analysis as a function of the antagonisms and connections among these local fluxes. This analysis is made possible by the decomposition of the molecules into elementary subunits, called "reactons" and the consequent decomposition of the whole network into simple first order unary partial reactions related with simple transfers of reactons from one molecule to another. This article explains and justifies the algorithmic steps leading to the total decomposition of the reaction network into its constitutive elementary subpart.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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