Details
| Originalsprache | Englisch |
|---|---|
| Seiten (von - bis) | 411-420 |
| Seitenumfang | 10 |
| Fachzeitschrift | Organic Process Research and Development |
| Jahrgang | 25 |
| Ausgabenummer | 3 |
| Frühes Online-Datum | 30 Nov. 2020 |
| Publikationsstatus | Veröffentlicht - 19 März 2021 |
| Extern publiziert | Ja |
Abstract
A convergent cascade reaction coupling a cyclohexanone monooxygenase variant and an alcohol dehydrogenase to make ϵ-caprolactone from cyclohexanone and 1,6-hexanediol was characterized via progress curve analysis with two kinetic models developed iteratively. A chemical side reaction occurring with the utilized Tris buffer and consequent byproduct formations were considered in Model 2, which reduced the root-mean-square error (RMSE) values by half, compared to Model 1 (RMSE values of 13%-40%). The optimized model, Model 2, led us to simulate the cascade reaction including 22 kinetic parameters with a maximum RMSE value in the range of 10%-21%.
ASJC Scopus Sachgebiete
- Chemie (insg.)
- Physikalische und Theoretische Chemie
- Chemie (insg.)
- Organische Chemie
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in: Organic Process Research and Development, Jahrgang 25, Nr. 3, 19.03.2021, S. 411-420.
Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review
}
TY - JOUR
T1 - Kinetics Modeling of a Convergent Cascade Catalyzed by Monooxygenase-Alcohol Dehydrogenase Coupled Enzymes
AU - Engel, Jennifer
AU - Bornscheuer, Uwe T.
AU - Kara, Selin
N1 - Funding Information: Authors J.E. and S.K. acknowledge the financial support from German Research Foundation (Deutsche Forschungsgemeinschaft, Grant No. KA 4399/1-1). The authors thank Assoc. Prof. Dr. Diederik J. Opperman (University of the Free State, South Africa) for the plasmid harboring CHMO M16 DS, as well as Kim Møller Johansen and Michelle Leganger Juul Sørensen for their technical support. Furthermore, author J.E. would like to thank Jannis Reich, for his kind help with MATLAB, and Frederic Perz, for fruitful discussions.
PY - 2021/3/19
Y1 - 2021/3/19
N2 - A convergent cascade reaction coupling a cyclohexanone monooxygenase variant and an alcohol dehydrogenase to make ϵ-caprolactone from cyclohexanone and 1,6-hexanediol was characterized via progress curve analysis with two kinetic models developed iteratively. A chemical side reaction occurring with the utilized Tris buffer and consequent byproduct formations were considered in Model 2, which reduced the root-mean-square error (RMSE) values by half, compared to Model 1 (RMSE values of 13%-40%). The optimized model, Model 2, led us to simulate the cascade reaction including 22 kinetic parameters with a maximum RMSE value in the range of 10%-21%.
AB - A convergent cascade reaction coupling a cyclohexanone monooxygenase variant and an alcohol dehydrogenase to make ϵ-caprolactone from cyclohexanone and 1,6-hexanediol was characterized via progress curve analysis with two kinetic models developed iteratively. A chemical side reaction occurring with the utilized Tris buffer and consequent byproduct formations were considered in Model 2, which reduced the root-mean-square error (RMSE) values by half, compared to Model 1 (RMSE values of 13%-40%). The optimized model, Model 2, led us to simulate the cascade reaction including 22 kinetic parameters with a maximum RMSE value in the range of 10%-21%.
KW - alcohol dehydrogenase
KW - enzymatic cascade
KW - enzyme kinetics modeling
KW - monooxygenase
KW - redox reactions
UR - http://www.scopus.com/inward/record.url?scp=85097834384&partnerID=8YFLogxK
U2 - 10.1021/acs.oprd.0c00372
DO - 10.1021/acs.oprd.0c00372
M3 - Article
AN - SCOPUS:85097834384
VL - 25
SP - 411
EP - 420
JO - Organic Process Research and Development
JF - Organic Process Research and Development
SN - 1083-6160
IS - 3
ER -