Quasi-steady-state and singular perturbation reduction for reaction networks with noninteracting species

DOI10.1137/20M1364503MaRDI QIDQ5072971zbMATH OpenOpenAlexFDO

Authors Elisenda Feliu, Christian Lax, S Walcher, Carsten Wiuf

Publication date 5 May 2022

Published in SIAM Journal on Applied Dynamical Systems (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1908.11270

zbMATH Keywords

blanket conditionschemical reaction networkdirected multidigraphmass action kineticsMichaelis-Menten systemnoninteracting graphnoninteracting speciespost-translational modification (PTM) systempredator-prey systemquasi-steady state reductionrate constantsingular perturbation reductionstoichiometric matrixtwo-substrate mechanism

Mathematics Subject Classification ID

Applications of graph theory (05C90) Chemical graph theory (05C92) Transformation and reduction of ordinary differential equations and systems, normal forms (34C20) Singular perturbations for ordinary differential equations (34E15) Systems biology, networks (92C42) Kinetics in biochemical problems (pharmacokinetics, enzyme kinetics, etc.) (92C45) Population dynamics (general) (92D25) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Abstract: Quasi-steady state (QSS) reduction is a commonly used method to lower the dimension of a differential equation model of a chemical reaction network. From a mathematical perspective, QSS reduction is generally interpreted as a special type of singular perturbation reduction, but in many instances the correspondence is not worked out rigorously, and the QSS reduction may yield incorrect results. The present paper contains a thorough discussion of QSS reduction and its relation to singular perturbation reduction for the special, but important, case when the right hand side of the differential equation is linear in the variables to be eliminated. For this class we give necessary and sufficient conditions for a singular perturbation reduction (in the sense of Tikhonov and Fenichel) to exist, and to agree with QSS reduction. We then apply the general results to chemical reaction networks with non-interacting species, generalizing earlier results and methods for steady states to quasi-steady state scenarios. We provide easy-to-check graphical conditions to select parameter values yielding to singular perturbation reductions and additionally, we identify a choice of parameters for which the corresponding singular perturbation reduction agrees with the QSS reduction. Finally we consider a number of examples.

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Cited in

(18)

• Quasi-steady-state approximation for chemical reaction networks
• Model reduction by extended quasi-steady-state approximation
• Classical quasi-steady state reduction -- a mathematical characterization
• On an optimal setting of constant delays for the D-QSSA model reduction method applied to a class of chemical reaction networks.
• Fast reactions with non-interacting species in stochastic reaction networks
• Critical parameters for singular perturbation reductions of chemical reaction networks
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