ZMB Member Erna K. Wieduwilt

ZMB Member
Erna K. Wieduwilt

Next ZMB-Member
portrait photo of ZMB member Erna K. Wieduwilt
© UDE/Alexandra Roth

Prof. Dr. Erna K. Wieduwilt

Group

Biophysical Chemistry

Faculty of Chemistry
University of Duisburg-Essen
Universitätsstr. 2
45141 Essen

Research Overview

The Wieduwilt group is researching how plastic can be recycled using a natural principle: the enzymatic degradation of plant biomass. The aim is to break down plastic into its monomer building blocks in order to then produce plastic of the same quality as before. This could be a solution to the problem that only nine percent of plastic waste is recycled worldwide.

Publications

    Journal articles

  • Wieduwilt, Erna K.; Hagemann, Marlisa M.; Ryde, Ulf; Hedegård, Erik D.
    The mechanism behind the oxidase activity of cellulose-active AA10 lytic polysaccharide monooxygenases
    In: Inorganic Chemistry Frontiers: An International Journal of Inorganic Chemistry, Vol. 12, 2025, Nr. 18, pp. 5344 – 5359
    DOI (Open Access)
  • Wieduwilt, Erna K.; Lo Leggio, Leila; Hedegard, Erik Donovan
    A frontier-orbital view of the initial steps of lytic polysaccharide monooxygenase reactions
    In: Dalton Transactions, Vol. 53, 2024, Nr. 13, pp. 5796 – 5807
    DOI, Online Full Text (Open Access)
  • Hagemann, Marlisa M.; Wieduwilt, Erna K.; Ryde, Ulf; Hedegård, Erik D.
    Investigating the Substrate Oxidation Mechanism in Lytic Polysaccharide Monooxygenase : H₂O₂- versus O₂-Activation
    In: Inorganic Chemistry, Vol. 63, 2024, Nr. 46, pp. 21929 – 21940
    DOI, Online Full Text (Open Access)
  • Hagemann, Marlisa M.; Wieduwilt, Erna K.; Hedegård, Erik D.
    Understanding the initial events of the oxidative damage and protection mechanisms of the AA9 lytic polysaccharide monooxygenase family
    In: Chemical Science, Vol. 15, 2024, Nr. 7, pp. 2558 – 2570
    DOI (Open Access)
  • Wieduwilt, Erna K.; Boto, Roberto A.; Macetti, Giovanni; Laplaza, Rubén; Contreras-García, Julia; Genoni, Alessandro
    Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses
    In: Journal of Chemical Theory and Computation (JCTC), Vol. 19, 2023, Nr. 3, pp. 1063 – 1079
    DOI, Online Full Text (Open Access)
  • Duvinage, Daniel; Puylaert, Pim; Wieduwilt, Erna K.; Malaspina, Lorraine A.; Edwards, Alison J.; Lork, Enno; Mebs, Stefan; Hupf, Emanuel; Grabowsky, Simon; Beckmann, Jens
    Nickel and Palladium Complexes of a PP(O)P Pincer Ligand Based upon a peri-Substituted Acenaphthyl Scaffold and a Secondary Phosphine Oxide
    In: Inorganic Chemistry, Vol. 61, 2022, Nr. 22, pp. 8406 – 8418
    DOI
  • Daolio, Andrea; Wieduwilt, Erna K.; Pizzi, Andrea; Genoni, Alessandro; Resnati, Giuseppe; Terraneo, Giancarlo
    The N,N,N-trimethylammonium moiety as tetrel bond donor site : crystallographic and computational studies
    In: Physical Chemistry, Chemical Physics (PCCP), Vol. 24, 2022, Nr. 40, pp. 24892 – 24901
    DOI, Online Full Text (Open Access)
  • Wieduwilt, Erna K.; Boisson, Jean-Charles; Terraneo, Giancarlo; Hénon, Eric; Genoni, Alessandro
    A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems : The Independent Gradient Model-Extremely Localized Molecular Orbital Approach
    In: Journal of Chemical Information and Modeling, Vol. 61, 2021, Nr. 2, pp. 795 – 809
    DOI, Online Full Text (Open Access)
  • Wieduwilt, Erna K.; Macetti, Giovanni; Genoni, Alessandro
    Climbing Jacob's Ladder of Structural Refinement : Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions
    In: The Journal of Physical Chemistry Letters, Vol. 12, 2021, Nr. 1, pp. 463 – 471
    DOI, Online Full Text (Open Access)
  • Wieduwilt, Erna K.; Macetti, Giovanni; Scatena, Rebecca; Macchi, Piero; Genoni, Alessandro
    Extending libraries of extremely localized molecular orbitals to metal organic frameworks : A preliminary investigation
    In: Crystals, Vol. 11, 2021, Nr. 2, 207
    DOI (Open Access)
  • Macetti, Giovanni; Wieduwilt, Erna K.; Genoni, Alessandro
    QM/ELMO : A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals
    In: Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols, Vol. 125, 2021, Nr. 13, pp. 2709 – 2726
    DOI, Online Full Text (Open Access)
  • Kleemiss, Florian; Wieduwilt, Erna K.; Hupf, Emanuel; Shi, Ming W.; Stewart, Scott G.; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Schirmeister, Tanja; Schmidt, Thomas C.; Engels, Bernd; Grabowsky, Simon
    Similarities and Differences between Crystal and Enzyme Environmental Effects on the Electron Density of Drug Molecules
    In: Chemistry - A European Journal, Vol. 27, 2021, Nr. 10, pp. 3407 – 3419
    DOI (Open Access)
  • Macetti, Giovanni; Wieduwilt, Erna K.; Assfeld, Xavier; Genoni, Alessandro
    Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods
    In: Journal of Chemical Theory and Computation (JCTC), Vol. 16, 2020, Nr. 6, pp. 3578 – 3596
    DOI, Online Full Text (Open Access)
  • Wieduwilt, Erna K.; Macetti, Giovanni; Malaspina, Lorraine A.; Jayatilaka, Dylan; Grabowsky, Simon; Genoni, Alessandro
    Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? : Investigation of a strongly hydrogen-bonded molecular crystal
    In: Journal of Molecular Structure, Vol. 1209, 2020, 127934
    DOI (Open Access)
  • Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F.; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro
    Fast and Accurate Quantum Crystallography : From Small to Large, from Light to Heavy
    In: The Journal of Physical Chemistry Letters, Vol. 10, 2019, Nr. 22, pp. 6973 – 6982
    DOI, Online Full Text (Open Access)
  • Arias-Olivares, David; Wieduwilt, Erna K.; Contreras-García, Julia; Genoni, Alessandro
    NCI-ELMO : A New Method to Quickly and Accurately Detect Noncovalent Interactions in Biosystems
    In: Journal of Chemical Theory and Computation (JCTC), Vol. 15, 2019, Nr. 11, pp. 6456 – 6470
    DOI, Online Full Text (Open Access)