Reaction modelling and simulation to assess the integrated use of transketolase and omega-transaminase for the synthesis of an aminotriol

Chen B. H. , Sayar A. , Kaulmann U., Dalby P. A. , Ward J. M. , Woodley J. M.

BIOCATALYSIS AND BIOTRANSFORMATION, vol.24, no.6, pp.449-457, 2006 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 24 Issue: 6
  • Publication Date: 2006
  • Doi Number: 10.1080/10242420601068668
  • Page Numbers: pp.449-457


The most attractive, as well as challenging, multistep organic syntheses would preferably be carried out in a single reactor, as a one-pot synthesis. For biocatalytic syntheses, multistep reactions in one-pot mode bring a number of advantages, while at the same time raising unique challenges such as the compatibility of different biocatalysts. In this paper, we have developed a transketolase-transaminase (TK-TAm) two-step one-pot aminotriol synthesis reaction model, which integrates reaction kinetic models with process characterization (consisting of component degradation as a function of pH and concentration, aldehyde toxicity towards the enzyme, and ketol donor and acceptor side-reactions with TAm). Based on the analysis of the effect of the TAm/TK activity ratio on product yield, simulations provided guidance for further process and biocatalyst development.