We present a new mathematical approach to metabolic pathway analysis, characterizing a metabolic network by minimal metabolic behaviors and the reversible metabolic space. Our method uses an outer description of the steady state flux cone, based on sets of irreversible reactions. This is different from existing approaches, such as elementary flux modes or extreme pathways, which use an inner description, based on sets of generating vectors. The resulting description of the flux cone is much more compact. By focussing on the reversible and irreversible reactions, our approach provides a different view of the network, which may also lead to new biological insights.
Flux coupling analysis is a method to identify blocked and coupled reactions
in a metabolic network at steady state. We present a new approach to
flux coupling analysis, which uses a minimum set of generators of the steady state
flux cone. Our method does not require to reconfigure the network by splitting
reversible reactions into forward and backward reactions.
By distinguishing different types of reactions (irreversible, pseudo-irreversible,
fully reversible), we show that reaction coupling relationships can only hold
between certain reaction types. Based on this mathematical analysis, we propose
a new algorithm for flux coupling analysis.