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2016 ; 7
(ä): 90
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Elementary Vectors and Conformal Sums in Polyhedral Geometry and their Relevance
for Metabolic Pathway Analysis
#MMPMID27252734
Müller S
; Regensburger G
Front Genet
2016[]; 7
(ä): 90
PMID27252734
show ga
A fundamental result in metabolic pathway analysis states that every flux mode
can be decomposed into a sum of elementary modes. However, only a decomposition
without cancelations is biochemically meaningful, since a reversible reaction
cannot have different directions in the contributing elementary modes. This
essential requirement has been largely overlooked by the metabolic pathway
community. Indeed, every flux mode can be decomposed into elementary modes
without cancelations. The result is an immediate consequence of a theorem by
Rockafellar which states that every element of a linear subspace is a conformal
sum (a sum without cancelations) of elementary vectors (support-minimal vectors).
In this work, we extend the theorem, first to "subspace cones" and then to
general polyhedral cones and polyhedra. Thereby, we refine Minkowski's and
Carathéodory's theorems, two fundamental results in polyhedral geometry. We note
that, in general, elementary vectors need not be support-minimal; in fact, they
are conformally non-decomposable and form a unique minimal set of conformal
generators. Our treatment is mathematically rigorous, but suitable for systems
biologists, since we give self-contained proofs for our results and use concepts
motivated by metabolic pathway analysis. In particular, we study cones defined by
linear subspaces and nonnegativity conditions - like the flux cone - and use them
to analyze general polyhedral cones and polyhedra. Finally, we review
applications of elementary vectors and conformal sums in metabolic pathway
analysis.