Recent Publications

ZORA Publication List

Publications

• Journal Article

  • 2023

    • Michel, Erich; Cucuzza, Stefano; Mittl, Peer R E; Zerbe, Oliver; Plückthun, Andreas (2023). Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design Biochemistry, 62(2):318-329.
    • Naik, J Madhusudhan; Bulfin, Brendan; Triana, Carlos A; Stoian, Dragos Constantin; Patzke, Greta R (2023). Cation-Deficient Ce-Substituted Perovskite Oxides with Dual-Redox Active Sites for Thermochemical Applications ACS applied materials & interfaces, 15(1):806-817.
    • Varol, H Samet; Seeger, Stefan (2023). Droplet Size-Assisted Polysiloxane Architecting Langmuir, 39(1):377-388.
    • Tian, Run; Posselt, Malte; Fenner, Kathrin; McLachlan, Michael S (2023). Increasing the Environmental Relevance of Biodegradation Testing by Focusing on Initial Biodegradation Kinetics and Employing Low-Level Spiking Environmental science & technology letters, 10(1):40-45.
    • Sertcan, Beliz; Mousavi, Seyyed Jabbar; Iannuzzi, Marcella; Hamm, Peter (2023). Low-Frequency Anharmonic Couplings in Crystalline Bromoform: Theory Journal of Chemical Physics, 158(1):014203.
    • Han, Ruocheng; Mattiat, Johann; Luber, Sandra (2023). Automatic purpose-driven basis set truncation for time-dependent Hartree–Fock and density-functional theory Nature Communications, 14(1):106.
    • Czyz, Ewa A; Schmid, Bernhard; Hueni, Andreas; Eppinga, Maarten B; Schuman, Meredith Christine; Schneider, Fabian D; Guillén-Escribà, Carla; Schaepman, Michael E (2023). Genetic constraints on temporal variation of airborne reflectance spectra and their uncertainties over a temperate forest Remote Sensing of Environment, 284:113338.
    • Belleflamme, Fabian; Hutter, Jürg (2023). Radicals in aqueous solution: assessment of density-corrected SCAN functional Physical Chemistry Chemical Physics (PCCP), 25(31):20817-20836.
    • Trostel, Leo; Coll, Claudia; Fenner, Kathrin; Hafner, Jasmin (2023). Combining predictive and analytical methods to elucidate pharmaceutical biotransformation in activated sludge Environmental Science: Processes, 25(8):1322-1336.
    • Al-Wahaibi, Lamya H; Alagappan, Kowsalya; Gomila, Rosa M; Blacque, Olivier; Frontera, Antonio; Percino, M Judith; El-Emam, Ali A; Thamotharan, Subbiah (2023). A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking RSC Advances, 13(48):34064-34077.
    • Reissig, Falco; Bauer, David; Al-Ameed, Karrar; Luber, Sandra; Köckerling, Martin; Steinbach, Jörg; Pietzsch, Hans-Jürgen; Mamat, Constantin (2023). Calix[4]crowns with perfluoroalkylsulfonylcarboxamide functions: a complexation approach for heavy group 2 metal ions Inorganic Chemistry Frontiers, 10(2):370-382.
    • Čavlović, Daniel; Blacque, Olivier; Krummenacher, Ivo; Braunschweig, Holger; Ravat, Prince; Juricek, Michal (2023). Dimethylnonacethrene – en route to a magnetic switch Chemical Communications, 59(50):7743-7746.
    • Karges, Johannes; Giardini, Miriam A; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M (2023). Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes Chemical Science, 14(3):711-720.
    • Park, Jaemin; Shalvey, Thomas P; Moehl, Thomas; Woo, Kyoohee; Major, Jonathan D; Tilley, S David; Yang, Wooseok (2023). Impedance spectroscopy of Sb$_2$Se$_3$ photovoltaics consisting of (Sb$_4$Se$_6$)$_n$ nanoribbons under light illumination Nanoscale, 15(48):19757-19766.
    • Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed (2023). Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm, 25(3):365-377.
    • Rudin, Christoph; Bollen, Nena; Hong, Samuel L; Wegner, Fanny; Politi, Lida; Mellou, Kassiani; Geenen, Caspar; Gorissen, Sarah; Verhasselt, Bruno; Durkin, Keith; Henin, Coralie; Logist, Anne-Sophie; Dellicour, Simon; Resa, Tobias; Stadler, Tanja; Maes, Piet; Cuypers, Lize; André, Emmanuel; Egli, Adrian; Baele, Guy (2023). Investigation of an international water polo tournament in Czechia as a potential source for early introduction of the SARS-CoV-2 Omicron variant into Belgium, Switzerland and Germany, November 2021 Eurosurveillance, 28(45):2300018.
    • Artus, Georg Robert Johannes; Bottone, Davide; Seeger, Stefan (2023). Silicon Oxycarbide Coatings Consisting of Defined Bottom–Up‐Grown Nanostructures Small, 19(41):e2303079.
    • Studer, Tetiana; Morina, Daria; Shchelik, Inga S; Gademann, Karl (2023). Biohybrid Microswimmers for Antibiotic Drug Delivery Based on a Thiol-Sensitive Release Platform Chemistry, 29(26):e202203913.

• Book Section

  • 2024

    • Satoh, Hiroko; Steiner, Vincenz-Maria; Hutter, Jürg (2024). “Quantum-Chemoinformatics” for Design and Discovery of New Molecules and Reactions In: Satoh, Hiroko; Funatsu, Kimito; Yamamoto, Hiroshi . Drug Development Supported by Informatics. Singapore, 225-245.
    • Hutter, Jürg; Iannuzzi, Marcella; Kühne, Thomas D (2024). Ab Initio Molecular Dynamics: A Guide to Applications In: Yáñez, Manuel; Boyed, Russell J . Comprehensive Computational Chemistry. Elsevier: Copyright © 2023 Elsevier, 493-517.
    • Creazzo, Fabrizio; Luber, Sandra (2024). Modeling of solid-liquid interfaces for water splitting catalysis In: Creazzo, Fabrizio . Chemistry, Molecular Sciences and Chemical Engineering. Niederlande: Elsevier, 735-749.

• Conference or Workshop item

  • 2024

    • Lüthi, Hans P; Gillingham, Dennis; Hartrampf, Nina; Reymond, Jean-Louis (2024). Part A: Inspiring Science in an Inspiring Environment In: The Swiss Summer School on Chemical Biology, Bergün/Bravuogn, August25–29, 2024, Bergün, Schweiz, 25 August 2024 - 29 August 2024. Swiss Chemical Society, 793-796.

• Dissertation

  • 2025

    • Azizi, R. (2025). Poly(Ethyl 2-Cyanoacrylate) (PECA) Nanostructures $\textit{via}$ the Droplet-Assisted Growth and Shaping (DAGS) Mechanism (Dissertation, University of Zurich)
    • Tunçay Ammann, I. (2025). Evaluating the Host-Guest Strategy for Immobilization of Molecular Electrocatalysts: A Universal Method?
    • Huang, C. (2025). Synthesis of Metal Carbodiimide Electrocatalysts for Oxygen Evolution/Reduction and Nitrate Reduction (Dissertation, University of Zurich)
    • Ketkaew, R. (2025). Development of Collective Variables Using Electronic Structure and Statistical Techniques (Dissertation, University of Zurich) https://doi.org/10.5167/uzh-281235
    • Zhang, K. (2025). Artificial Intelligence Tools for Comprehensive Environmental Chemical Risk Assessment (Dissertation, University of Zurich)
    • Mendo Diaz, O. (2025). Advancements in Data Processing and Characterization of Homologues of Chlorinated Paraffins and Their Olefinic Transformation Products in Environmental and Plastic Matrices (Dissertation, University of Zurich)
    • Mestizo Melo, P. D. (2025). Hijacking Vitamin B$_{12}$ Uptake: From Cancer Targeting to Bacterial Inhibition (Dissertation, University of Zurich)
    • Liu, P. (2025). Structure and Metal-Loading of the Multi-Domain Metallothioneins (Dissertation, University of Zurich) https://doi.org/10.5167/uzh-280169
    • Khusainov, G. (2025). Deconvolution of Mixed-State Electron Density Maps Shows Substrate-Induced Magnesium Unbinding in RuBisCO Crystals (Dissertation, University of Zurich) https://doi.org/10.5167/uzh-280167
    • Dai, W. (2025). Modular Protein Assembly Systems Built from Designed Armadillo Repeat Proteins (Dissertation, University of Zurich) https://doi.org/10.5167/uzh-280151
    • Wiprächtiger, G. (2025). Synthesis and Analysis of Polyoxometalates as Versatile Anticancer Agents (Dissertation, University of Zurich) https://doi.org/10.5167/uzh-279987
    • Longo, F. (2025). Nickel-Based Electrodes for Water Splitting: Effect of Electrical and Magnetic Fields on Surface Structure (Dissertation, University of Zurich)
    • Amini, S. (2025). Syntheses and Studies of Vitamin B$_{12}$ Derivatives Containing Nickel, Copper, and Cobalt: F430 Chemistry and Riboswitch Binding (Dissertation, University of Zurich) https://doi.org/10.5167/uzh-279942
    • Biedrzycki, Michal . Taming Gold: Stabilizing Gold(III) & Embracing Its Catalytic Potential 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Hofer, Micha . Towards the Total Synthesis of Rubradirin 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Karunaratne, Yapa Mudiyanselage Rukmal Theja . Elucidating the Metalation Pathway of the E$_{c}$-1 Metallothionein β$_{E}$-Domain: Insights into Zn$^t{II}$ Binding and Protein Folding and Developing a New Synthetic Pathway to Site-Specifically Label Adenosines in DNA Through a Modular System 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Bilichenko, Maria . Multiscale Modelling of Liquids and Electrolyte Solutions under Confinement 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Hutskalov, Illia . Directional Ionic Bonds 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Adiyeri Saseendran, Devi Prasad . Targeted Design and Mechanistic Investigations of Copper-Based Water Oxidation Electrocatalysts 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Bürgisser, Héloïse . Facilitating the Chemical Synthesis of Aggregating Peptides and Proteins 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Witteveen, Catherine . Synthesis, Characterization, and Magnetic Properties of Layered Transition Metal Dichalcogenides and Their Delafossite-Type Counterparts 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Jung, Erik . Reshaping Natural Products: New Fidaxomicin Antibiotics and Darobactin-Like Peptides 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Klingler, Simon . Robots, Rings and Radiopharmaceuticals 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Ruf, Jeannette . A Symphony of Dynamics and Structure: Protein Dynamics Investigated by One- and Two-Dimensional Time-Resolved Infrared Spectroscopy 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Zhang, Minhao . Mild High-Yielding Site-Selective C–H Arylation of Arenes 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Ferrara, Isabella . Chemical Modification of Bioactive Molecules: Natural Product Semi-Synthesis and Investigations on Drug Delivery 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Jantarug, Krittapas . Chemical Tools for Bioimaging: Investigating Bacterial Activity, Drug Efflux, and Complex Biological Systems 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.
    • Janeková, Hana . Photouncaging Systems Operated by Light in the Near-Infrared Region 2025, University of Zurich, Mathematisch-naturwissenschaftliche Fakultät.

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