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Abstract: The analysis of complex reaction networks is of great importance in severalchemical and biochemical fields interstellar chemistry, prebiotic chemistry,reaction mechanism, etc. In this article, we propose to simultaneously refineand extend for general chemical reaction systems the formalism initiallyintroduced for the description of metabolic networks. The classical approachesthrough the computation of the right null space leads to the decomposition ofthe network into complex ``cycles- of reactions concerned with allmetabolites. We show how, departing from the left null space computation, theflux analysis can be decoupled into linear fluxes and single loops, allowing amore refine qualitative analysis as a function of the antagonisms andconnections among these local fluxes. This analysis is made possible by thedecomposition of the molecules into elementary subunits, called -reactons- andthe consequent decomposition of the whole network into simple first order unarypartial reactions related with simple transfers of reactons from one moleculeto another. This article explains and justifies the algorithmic steps leadingto the total decomposition of the reaction network into its constitutiveelementary subpart.



Autor: Raphaël Plasson Nordita, Hugues Bersini Iridia, Axel Brandenburg Nordita

Fuente: https://arxiv.org/







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