Semigroup models for biochemical reaction networks

Abstract

The catalytic reaction system (CRS) formalism by Hordijk and Steel is a versatile method to model autocatalytic biochemical reaction networks. It is particularly suited, and has been widely used, to study self-sustainment and self-generation properties. Its distinguishing feature is the explicit assignment of a catalytic function to chemicals that are part of the system. In this work, it is shown that the subsequent and simultaneous catalytic functions give rise to an algebraic structure of a semigroup with the additional compatible operation of idempotent addition and a partial order. The aim of this article is to demonstrate that such semigroup models are a natural setup to describe and analyze self-sustaining CRS. The basic algebraic properties of the models are established and the notion of the function of any set of chemicals on the whole CRS is made precise. This leads to a natural discrete dynamical system on the power set of chemicals, which is obtained by iteratively considering the self-action on a set of chemicals by its own function. The fixed points of this dynamical system are proven to correspond to self-sustaining sets of chemicals, which are functionally closed. Finally, as the main application, a theorem on the maximal self-sustaining set and a structure theorem on the set of functionally closed self-sustaining sets of chemicals are proven.