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Metabolic control analysis (MCA) of the BTEX bioremediation model

Metabolic control analysis of the biological part of the Coupled Biological and Chemical (CBC) model of BTEX bioremediation was preformed. Concentration control coefficients, elasticities and flux control coefficients were estimated using expression for general biochemical networks with branching (Kremling, 2014). Biochemical networks consist of number of enzyme-catalyzed reaction transforming substrates into products and quantitative understanding of this systems requires mathematical tools. Metabolic control analysis is described in literature (Hornberg et al., 2007) as a powerful theoretical and mathematical framework for understanding the relationships between the steady-state properties of a biochemical networks. Metabolic control analysis quantifies the changes in metabolic variables (concentrations or fluxes) as a result of changes in system parameters (Wu et al., 2004). This methodology is used for description of relationships between network dependant properties (control coefficients) and local properties (elasticities). A control coefficients (concentration or flux) measure the relative steady state change in system variable in response to a relative change in a parameter, while the elasticities coefficients measure the local response of the enzyme to change (substrate, product or effectors concentration). Used mathematical model of BTEX bioremediation includes 16 ordinary differential equations and 54 kinetic parameters which suggests that time change of each metabolite concentration is a difference between the rate of formation and consumption of individual molecules. The analysed biological part of the model describes the BTEX biodegradation by bacteria, BTEX fermantation to acetate, oxidation of acetate, methanogenesis and biomass decay. Results of the preformed MCA analysis give better insight into the complex biochemical network and can be used for possible model reduction and simplification and experiment planning.

metabolic control analysis; control coefficients; elasticity coefficients; BTEX

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