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Aerobic Biodegradation Testing of Materials Using a Natural Marine Seawater Inoculum and Closed Loop Respirometer
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Thermodynamic analysis of biodegradation pathways.

Stacey D Finley1, Linda J Broadbelt, Vassily Hatzimanikatis

  • 1Department of Chemical and Biological Engineering, McCormick School of Engineering and Applied Sciences, Northwestern University, Evanston, Illinois 60208, USA.

Biotechnology and Bioengineering
|March 17, 2009
PubMed
Summary

This study estimates thermodynamic properties for xenobiotic biodegradation pathways using a group contribution method. It provides a tool to predict the feasibility of microbial degradation reactions and pathways.

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Area of Science:

  • Environmental microbiology
  • Biochemistry
  • Computational chemistry

Background:

  • Microorganisms can degrade environmental pollutants (xenobiotics).
  • Thermodynamic feasibility is key to predicting biodegradation pathways.
  • Experimental thermodynamic data for xenobiotics is limited.

Purpose of the Study:

  • To estimate thermodynamic properties of xenobiotics using a group contribution method.
  • To evaluate the thermodynamic feasibility of biodegradation reactions and pathways.
  • To compare predicted pathway likelihood with thermodynamic feasibility.

Main Methods:

  • Applied a group contribution method to estimate Gibbs free energies of formation and reaction.
  • Analyzed thermodynamic properties for compounds and reactions in the University of Minnesota Biocatalysis/Biodegradation Database.
  • Classified reactions based on Gibbs free energy and assessed cumulative free energy changes for pathways.

Main Results:

  • Estimated thermodynamic properties for 914 compounds and 902 reactions.
  • Assessed the cumulative free energy change for 89 biodegradation pathways.
  • Revealed the importance of considering thermodynamic topology within complete pathways.

Conclusions:

  • Group contribution methods are viable for predicting biodegradation reaction feasibility.
  • This approach aids in evaluating existing and novel biodegradation pathways.
  • Provides a tool for researchers to estimate a priori thermodynamic feasibility.