Inference of complex reaction mechanisms applying model reduction techniques

Abstract

Both structural (number of species and reactions) and temporal (extremely diverse reaction rates) aspects of complexity are considered when describing large chemical reaction networks. A consistent way to make model reduction is to construct the invariant manifold, which describes the asymptotic system behavior. Preliminary approximations to SIM (Slow Invariant Manifold) are constructed using the model reduction techniques (MRTs): the Quasi-Equilibrium Manifold (QEM), the Spectral Quasi-Equilibrium Manifold (SQEM), and the Intrinsic Low-Dimension Manifold (ILDM). In this paper, the activities of the concerned species and the overall dynamics of the system are examined. Two examples are used to demonstrate the techniques: the Michaelis–Menten mechanism, which is a single reaction mechanism, and a multi-route route reaction mechanism. The behavior of each species on the available route is covered separately. As a result, the reduced invariant solution curve of several approaches is illustrated, along with a comparison of these methods in various graphs. Sensitivity analysis is applied using the SimBiology toolbox in MATLAB to monitor the role of each parameter involved. All the results of model reduction techniques are simulated through MATLAB.