Thermodynamically constrained Flux and Control Analysis of Escherichia coli

Liliana Angeles-Martineza, Michael Binns, Constantinos Theodoropoulos, Pedro de Atauri, Marta Cascante

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

3 Scopus citations

Abstract

Flux Balance Analysis allows calculation of the theoretical maximum yield of desired products given a metabolic network and some experimentally determined fluxes. However these " optimal" values are often based on thermodynamically infeasible flux distributions. A methodology for the optimisation of fluxes and concentrations subject to thermodynamic constraints is implemented and applied to Escherichia coli to calculate the ranges of possible fluxes and concentrations. The resulting flux bounds together with a random sampling approach to calculate ranges of possible control coefficients, summarised using the control bias concept, are used in this work to indicate potential targets for improving the production of succinic acid with the aid of this organism. The steps with the highest control bias were found to be the glycerol uptake and the steps that bypass the pentose-phosphate pathway. The steps showing strongest negative control were the CO 2 extraction from the system and reactions redirecting pyruvate towards byproducts such as ethanol and formate and away from succinic acid.

Original languageEnglish
Title of host publicationComputer Aided Chemical Engineering
PublisherElsevier B.V.
Pages1377-1381
Number of pages5
DOIs
StatePublished - 2012

Publication series

NameComputer Aided Chemical Engineering
Volume30
ISSN (Print)1570-7946

Keywords

  • Escherichia coli
  • Flux and Control Analysis
  • Thermodynamics

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