IDEAS home Printed from https://ideas.repec.org/a/eee/matcom/v82y2011i3p460-470.html
   My bibliography  Save this article

Determination of flux directions by thermodynamic network analysis: Computing informative metabolite pools

Author

Listed:
  • Hadlich, Frieder
  • Nöh, Katharina
  • Wiechert, Wolfgang

Abstract

Network thermodynamics focuses on the energetic analysis of complex metabolic networks. The method connects free Gibbs energies, metabolite concentrations and flux directions by fundamental thermodynamic laws. Here, a new application of network thermodynamics is presented that identifies those metabolite pools that have to be measured in order to determine as many flux directions as possible. For a medium-scaled reaction network such informative metabolite pools are computed with an approach based on Monte Carlo sampling. It turns out that some reactions can be directed with only a few measurements whereas other reactions cannot be directed even with a complete data set. High connectivity in metabolic reaction networks in alliance with concentration ranges make it impossible to intuitively foresee such results. In particular, the impact of measurements of a special type of metabolites being involved in many reactions, so called energetic currency metabolites is investigated.

Suggested Citation

  • Hadlich, Frieder & Nöh, Katharina & Wiechert, Wolfgang, 2011. "Determination of flux directions by thermodynamic network analysis: Computing informative metabolite pools," Mathematics and Computers in Simulation (MATCOM), Elsevier, vol. 82(3), pages 460-470.
    • Handle: RePEc:eee:matcom:v:82:y:2011:i:3:p:460-470
    DOI: 10.1016/j.matcom.2010.10.025
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0378475410003320
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.matcom.2010.10.025?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:matcom:v:82:y:2011:i:3:p:460-470. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/mathematics-and-computers-in-simulation/ .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.