Thermodynamic Calculations for Biochemical Transport and Reaction Processes in Metabolic Networks

Thermodynamic calculations for biochemical transport and reaction processes in metabolic networks.

Thermodynamic analysis of metabolic networks has recently generated increasing interest for its ability to add constraints on metabolic network operation, and to combine metabolic fluxes and metabolite measurements in a mechanistic manner. Concepts for the calculation of the change in Gibbs energy of biochemical reactions have long been established. However, a concept for incorporation of cross...

Numerical modeling for nonlinear biochemical reaction networks

Nowadays, numerical models have great importance in every field of science, especially for solving the nonlinear differential equations, partial differential equations, biochemical reactions, etc. The total time evolution of the reactant concentrations in the basic enzyme-substrate reaction is simulated by the Runge-Kutta of order four (RK4) and by nonstandard finite difference (NSFD) method. A...

Thermodynamic constraints for biochemical networks.

The constraint-based approach to analysis of biochemical systems has emerged as a useful tool for rational metabolic engineering. Flux balance analysis (FBA) is based on the constraint of mass conservation; energy balance analysis (EBA) is based on non-equilibrium thermodynamics. The power of these approaches lies in the fact that the constraints are based on physical laws, and do not make use ...

Thermodynamic Constraints for Metabolic Networks

for nonlinear controllers in transport - reaction processes

This paper proposes a methodology for the computation of optimal locations of point control actuators for nonlinear feedback controllers in transport-reaction processes described by a broad class of quasi-linear parabolic partial differential equations (PDE). Initially, Galerkin’s method is employed to derive finite-dimensional approximations of the PDE system which are used for the synthesis o...