Kinetic insights into E-caprolactone synthesis: Improvement of an enzymatic cascade reaction

Scherkus, C., Schmidt, S., Bornscheuer, U. T., Groeger, H., Kara, S. & Liese, A., Jun-2017, In : Biotechnology and Bioengineering. 114, 6, p. 1215-1221 7 p.

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  • Kinetic insights into ϵ‐caprolactone synthesis: Improvement of an enzymatic cascade reaction

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  • Christian Scherkus
  • Sandy Schmidt
  • Uwe T. Bornscheuer
  • Harald Groeger
  • Selin Kara
  • Andreas Liese

A computational approach for the simulation and prediction of a linear three-step enzymatic cascade for the synthesis of E-caprolactone (ECL) coupling an alcohol dehydrogenase (ADH), a cyclohexanone monooxygenase (CHMO), and a lipase for the subsequent hydrolysis of ECL to 6-hydroxyhexanoic acid (6-HHA). A kinetic model was developed with an accuracy of prediction for a fed-batch mode of 37% for substrate cyclohexanol (CHL), 90% for ECL, and >99% for the final product 6-HHA. Due to a severe inhibition of the CHMO by CHL, a batch synthesis was shown to be less efficient than a fed-batch approach. In the fed-batch synthesis, full conversion of 100mM CHL was 28% faster with an analytical yield of 98% compared to 49% in case of the batch synthesis. The lipase-catalyzed hydrolysis of ECL to 6-HHA circumvents the inhibition of the CHMO by ECL enabling a 24% higher product concentration of 6-HHA compared to ECL in case of the fed-batch synthesis without lipase. Biotechnol. Bioeng. 2017;114: 1215-1221. (c) 2017 Wiley Periodicals, Inc.

Original languageEnglish
Pages (from-to)1215-1221
Number of pages7
JournalBiotechnology and Bioengineering
Issue number6
Publication statusPublished - Jun-2017
Externally publishedYes


  • E-caprolactone, enzymatic cascades, oxidoreductases, reaction engineering, computer simulation, BAEYER-VILLIGER-MONOOXYGENASES, EPSILON-CAPROLACTONE, CYCLOHEXANONE MONOOXYGENASE, DEHYDROGENASE, REGENERATION, OXIDATION, DESIGN

ID: 131272334