A graph-theoretical approach for the analysis and model reduction of complex-balanced chemical reaction networks

In this paper we derive a compact mathematical formulation describing the dynamics of chemical reaction networks that are complex-balanced and are governed by mass action kinetics. The formulation is based on the graph of (substrate and product) complexes and the stoichiometric information of these complexes, and crucially uses a balanced weighted Laplacian matrix. It is shown that this formulation leads to elegant methods for characterizing the space of all equilibria for complex-balanced networks and for deriving stability properties of such networks. We propose a method for model reduction of complex-balanced networks, which is similar to the Kron reduction method for electrical networks and involves the computation of Schur complements of the balanced weighted Laplacian matrix.

[1]  Antonis Papachristodoulou,et al.  Guaranteed error bounds for structured complexity reduction of biochemical networks. , 2012, Journal of theoretical biology.

[2]  David F. Anderson,et al.  A Proof of the Global Attractor Conjecture in the Single Linkage Class Case , 2011, SIAM J. Appl. Math..

[3]  Klaas R. Westerterp,et al.  Development of catalytic hydrogenation reactors for the fine chemicals industry , 1988 .

[4]  Mehran Mesbahi,et al.  Advection on graphs , 2011, IEEE Conference on Decision and Control and European Control Conference.

[5]  Arjan van der Schaft,et al.  On the graph and systems analysis of reversible chemical reaction networks with mass action kinetics , 2012, 2012 American Control Conference (ACC).

[6]  Gabriel Kron,et al.  Tensor analysis of networks , 1967 .

[7]  Alicia Dickenstein,et al.  Toric dynamical systems , 2007, J. Symb. Comput..

[8]  M. Feinberg Complex balancing in general kinetic systems , 1972 .

[9]  Arjan van der Schaft,et al.  Balanced chemical reaction networks governed by general kinetics , 2012 .

[10]  Arjan van der Schaft,et al.  On the Mathematical Structure of Balanced Chemical Reaction Networks Governed by Mass Action Kinetics , 2011, SIAM J. Appl. Math..

[11]  Hanna Maria Hardin Handling biological complexity: as simple as possible but not simpler , 2010 .

[12]  David Angeli,et al.  A tutorial on Chemical Reaction Networks dynamics , 2009, 2009 European Control Conference (ECC).

[13]  F. Horn Necessary and sufficient conditions for complex balancing in chemical kinetics , 1972 .

[14]  Xenofon Koutsoukos,et al.  Consensus in networked multi-agent systems with adversaries , 2011 .

[15]  Arjan van der Schaft,et al.  Characterization and partial synthesis of the behavior of resistive circuits at their terminals , 2010, Syst. Control. Lett..

[16]  M. Feinberg Chemical reaction network structure and the stability of complex isothermal reactors—I. The deficiency zero and deficiency one theorems , 1987 .

[17]  B. Palsson Systems Biology: Properties of Reconstructed Networks , 2006 .

[18]  Martin Feinberg,et al.  Multiple Equilibria in Complex Chemical Reaction Networks: I. the Injectivity Property * , 2006 .

[19]  David Angeli,et al.  Persistence Results for Chemical Reaction Networks with Time-Dependent Kinetics and No Global Conservation Laws , 2011, SIAM J. Appl. Math..

[20]  Mikael Sunnåker,et al.  A method for zooming of nonlinear models of biochemical systems , 2011, BMC Systems Biology.

[21]  D. Siegel,et al.  Global stability of complex balanced mechanisms , 2000 .

[22]  Béla Bollobás,et al.  Modern Graph Theory , 2002, Graduate Texts in Mathematics.

[23]  Eduardo D. Sontag Structure and stability of certain chemical networks and applications to the kinetic proofreading model of T-cell receptor signal transduction , 2001, IEEE Trans. Autom. Control..

[24]  T. McKeithan,et al.  Kinetic proofreading in T-cell receptor signal transduction. , 1995, Proceedings of the National Academy of Sciences of the United States of America.

[25]  Alicia Dickenstein,et al.  How Far is Complex Balancing from Detailed Balancing? , 2010, Bulletin of mathematical biology.

[26]  Florian Dörfler,et al.  Kron Reduction of Graphs With Applications to Electrical Networks , 2011, IEEE Transactions on Circuits and Systems I: Regular Papers.

[27]  M. Feinberg The existence and uniqueness of steady states for a class of chemical reaction networks , 1995 .

[28]  David Angeli,et al.  Graph-theoretic characterizations of monotonicity of chemical networks in reaction coordinates , 2010, Journal of mathematical biology.

[29]  R. Jackson,et al.  General mass action kinetics , 1972 .

[30]  H. Othmer Analysis of Complex Reaction Networks in Signal Transduction , Gene Control and Metabolism , 2006 .