Publisher DOI: 10.1002/bit.26258
Title: Kinetic insights into ϵ-caprolactone synthesis: Improvement of an enzymatic cascade reaction
Language: English
Authors: Scherkus, Christian 
Schmidt, Sandy 
Bornscheuer, Uwe Theo 
Gröger, Harald 
Kara, Selin 
Liese, Andreas  
Keywords: computer simulation;enzymatic cascades;oxidoreductases;reaction engineering;ϵ-caprolactone
Issue Date: 23-Feb-2017
Publisher: Wiley
Source: Biotechnology and Bioengineering 6 (114): 1215-1221 (2017-06-01)
Journal or Series Name: Biotechnology and Bioengineering 
Abstract (english): A computational approach for the simulation and prediction of a linear three-step enzymatic cascade for the synthesis of ϵ-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 100 mM 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. © 2017 Wiley Periodicals, Inc.
URI: http://hdl.handle.net/11420/3155
ISSN: 1097-0290
Institute: Technische Biokatalyse V-6 
Type: (wissenschaftlicher) Artikel
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