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Simpli?cation of Reaction Networks, Con?uence and Elementary Modes

机译:反应网络,连通性和基本模式的简化

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Reaction networks can be simpli?ed by eliminating linear intermediate species in partial steadystates. Inthispaper,westudythequestionwhetherthisrewriteprocedureiscon?uent,so that for any given reaction network with kinetic constraints, a unique normal form will be obtained independently of the elimination order. We ?rst show that con?uence fails for the elimination of intermediates even without kinetics, if “dependent reactions” introduced by the simpli?cation are not removed. This leads us to revising the simpli?cation algorithm into a variant of the double description method for computing elementary modes, so that it keeps track of kinetic information. Folklore results on elementary modes imply the con?uence of the revised simpli?cation algorithm with respect to the network structure, i.e., the structure of fully simpli?ed networks is unique. We show, however, that the kinetic rates assigned to the reactions may not be unique, and provide a biological example where two different simpli?ed networks can be obtained. Finally, we give a criterion on the structure of the initial network that is suf?cient to guarantee the con?uence of both the structure and the kinetic rates.
机译:通过消除部分稳态下的线性中间物种,可以简化反应网络。在本文中,对这个重写程序是否成立的疑问进行了研究,从而对于任何具有动力学约束的给定反应网络,都将获得一个唯一的正规形式,而与消除顺序无关。我们首先表明,如果不消除由于简化而引入的“依赖反应”,即使没有动力学,融合也无法消除中间体。这导致我们将简化算法修改为用于描述基本模式的双重描述方法的一种变体,从而可以跟踪动力学信息。基本模式上的民俗学结果暗示着修订后的简化算法相对于网络结构的复杂性,即完全简化的网络的结构是唯一的。但是,我们表明,分配给反应的动力学速率可能不是唯一的,并提供了一个生物学示例,其中可以获得两个不同的简化网络。最后,我们给出了初始网络结构的标准,该标准足以保证结构和动力学速率的一致性。

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