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Modeling Alcohol Dehydrogenase Catalysis in Deep Eutectic Solvent/Water Mixtures |
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| Authors: | Dr Lei Huang Jan Philipp Bittner Dr Pablo Domínguez de María Dr Sven Jakobtorweihen Prof?Dr Selin Kara |
| Affiliation: | 1. Department of Engineering, Biocatalysis and Bioprocessing Group, Aarhus University, Gustav Wieds Vej 10, 8000 Aarhus, Denmark
These authors contributed equally to this work.;2. Institute of Thermal Separation Processes, Hamburg University of Technology, Eißendorfer Strasse 38, 21073 Hamburg, Germany These authors contributed equally to this work.;3. Sustainable Momentum S.L., Av. Ansite 3, 4–6, 35011 Las Palmas de Gran Canaria, Canary Islands, Spain;4. Institute of Thermal Separation Processes, Hamburg University of Technology, Eißendorfer Strasse 38, 21073 Hamburg, Germany;5. Department of Engineering, Biocatalysis and Bioprocessing Group, Aarhus University, Gustav Wieds Vej 10, 8000 Aarhus, Denmark |
| Abstract: | The use of oxidoreductases (EC1) in non-conventional reaction media has been increasingly explored. In particular, deep eutectic solvents (DESs) have emerged as a novel class of solvents. Herein, an in-depth study of bioreduction with an alcohol dehydrogenase (ADH) in the DES glyceline is presented. The activity and stability of ADH in mixtures of glyceline/water with varying water contents were measured. Furthermore, the thermodynamic water activity and viscosity of mixtures of glyceline/water have been determined. For a better understanding of the observations, molecular dynamics simulations were performed to quantify the molecular flexibility, hydration layer, and intraprotein hydrogen bonds of ADH. The behavior of the enzyme in DESs follows the classic dependence of water activity (aW) in non-conventional media. At low aW values (<0.2), ADH does not show any activity; at higher aW values, the activity was still lower than that in pure water due to the high viscosities of the DES. These findings could be further explained by increased enzyme flexibility with increasing water content. |
| Keywords: | alcohol dehydrogenase deep eutectic solvents molecular dynamics solvent effects thermodynamics |
