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@ARTICLE{Siedentop:1006594,
      author       = {Siedentop, Regine and Siska, Maximilian and Möller, Niklas
                      and Lanzrath, Hannah and von Lieres, Eric and Lütz, Stephan
                      and Rosenthal, Katrin},
      title        = {{B}ayesian {O}ptimization for an {ATP}-{R}egenerating {I}n
                      {V}itro {E}nzyme {C}ascade},
      journal      = {Catalysts},
      volume       = {13},
      number       = {3},
      issn         = {2073-4344},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {FZJ-2023-01735},
      pages        = {468 -},
      year         = {2023},
      abstract     = {Enzyme cascades are an emerging synthetic tool for the
                      synthesis of various molecules, combining the advantages of
                      biocatalysis and of one-pot multi-step reactions. However,
                      the more complex the enzyme cascade is, the more difficult
                      it is to achieve adequate productivities and product
                      concentrations. Therefore, the whole process must be
                      optimized to account for synergistic effects. One way to
                      deal with this challenge involves data-driven models in
                      combination with experimental validation. Here, Bayesian
                      optimization was applied to an ATP-producing and
                      -regenerating enzyme cascade consisting of polyphosphate
                      kinases. The enzyme and co-substrate concentrations were
                      adjusted for an ATP-dependent reaction, catalyzed by
                      mevalonate kinase (MVK). With a total of 16 experiments, we
                      were able to iteratively optimize the initial concentrations
                      of the components used in the one-pot synthesis to improve
                      the specific activity of MVK with 10.2 U mg−1. The
                      specific activity even exceeded the results of the reference
                      reaction with stoichiometrically added ATP amounts, with
                      which a specific activity of 8.8 U mg−1 was reached. At
                      the same time, the product concentrations were also improved
                      so that complete yields were achieved.},
      cin          = {IBG-1},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IBG-1-20101118},
      pnm          = {2172 - Utilization of renewable carbon and energy sources
                      and engineering of ecosystem functions (POF4-217) / DFG
                      project 422694804 - SPP 2240: Bioelektrochemische und
                      ingenieurwissenschaftliche Grundlagen zur Etablierung von
                      Elektro-Biotechnologie für die Biosynthese - eBiotech
                      (422694804)},
      pid          = {G:(DE-HGF)POF4-2172 / G:(GEPRIS)422694804},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000954086000001},
      doi          = {10.3390/catal13030468},
      url          = {https://juser.fz-juelich.de/record/1006594},
}