Home Institute: Technische Universität Braunschweig, Germany
Main supervisor: Anett Schallmey
Co-Supervisors: Marco Fraaije (RUG) and
Valerio Ferrario (BASF)
PhD Candidate: Paola Eugenia Agustin Velez
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In this project, computational tools and lab experiments will be employed to engineer solvent-stable enzymes (β-etherases, peroxygenases, dehydrogenases, etc.) for the selective provision and functionalization of lignin-derived aromatics. Solvent stability is crucial for enzymes acting on hydrophobic substrates or materials. Enzyme stability towards different water-miscible and non-miscible solvents will be addressed, focusing on bio-based solvents like deep-eutectic solvents. The research will involve the study of novel β-etherases and peroxygenases for the selective cleavage of C-O bonds and regiospecific O-demethylation, as well as auxiliary enzymes such as dehydrogenases for further (enantioselective) functionalization of monomers and oligomers. Ideally, it aims to achieve a molecular understanding of the factors driving solvent stability in the studied enzymes.

Objectives:

  • Engineering solvent-stable enzymes (β-etherases, peroxygenases and auxiliary enzymes) by semi-rational protein design using different computational tools (e.g., PROSS, FRESCO and MD simulations in explicit solvent).
  • Biochemical characterization of engineered enzymes, especially concerning stability and activity amongst others.
  • Application tests of engineered enzymes, individually or in combination, for lignin monomer provision and functionalization.

Expected results:

  • Engineered enzymes with significantly increased solvent stability.
  • Knowledge of the performance of engineered enzymes, individually and in combination, for lignin monomer provision and functionalization.
  • Methods for generating innovative, lignin-derived aromatic building blocks.