Recent Publications

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- 2021
  - Fenner, Kathrin; Scheringer, Martin (2021). The Need for Chemical Simplification As a Logical Consequence of Ever-Increasing Chemical Pollution. Environmental Science & Technology, 55(21):14470-14472.
  - Zhang, Peikun; Wang, Pai; Wang, Wei; Wu, Qianbao; Xiao, Mengjun; Alberto, Roger; Zhang, Yanning; Cui, Chunhua (2021). Efficient Alkaline Water Oxidation with a Regenerable Nickel Pseudo-Complex. ACS applied materials & interfaces, 13(41):48661-48668.
  - Al-Mutairi, Aamal A; Alagappan, Kowsalya; Blacque, Olivier; Al-Alshaikh, Monirah A; El-Emam, Ali A; Percino, M Judith; Thamotharan, Subbiah (2021). Crystallographic and Theoretical Exploration of Weak Hydrogen Bonds in Arylmethyl N′-(adamantan-1-yl)piperidine-1-carbothioimidates and Molecular Docking Analysis. ACS Omega, 6(41):27026-27037.
  - Malmberg, Robert; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik (2021). Monocyclometalated (C N) Gold(III) Metallacycles: Tunable Emission and Singlet Oxygen (1O2) Generation Properties. Chemistry - A European Journal, 27(58):14410-14417.
  - Yang, Yong; Huangfu, Shangxiong; Sato, Sota; Juricek, Michal (2021). Cycloparaphenylene Double Nanohoop: Structure, Lamellar Packing, and Encapsulation of C60 in the Solid State. Organic Letters, 23(20):7943-7948.
  - Pauletti, Michela; Rybkin, Vladimir V; Iannuzzi, Marcella (2021). Subsystem Density Functional Theory Augmented by a Delta Learning Approach to Achieve Kohn–Sham Accuracy. Journal of Chemical Theory and Computation, 17(10):6423-6431.
  - Schreder, Lukas; Luber, Sandra (2021). Local approaches for electric dipole moments in periodic systems and their application to real-time time-dependent density functional theory. Journal of Chemical Physics, 155(13):134116.
  - Rudbari, Hadi Amiri; Saadati, Arezoo; Aryaeifar, Mahnaz; Correia, Isabel; Marques, Fernanda; Blacque, Olivier; Micale, Nicola (2021). Cytotoxic oxidovanadium(IV) complexes of tridentate halogen‐substituted Schiff bases: First dinuclear V(IV) complexes with O → VIV = O → VIV = O core. Bioorganic & Medicinal Chemistry Letters, 49:128285.
  - Podvalnyy, Nikita M; Chesnov, Serge; Nanni, Paolo; Gut, Melanie; Holland, Jason P; Hennet, Thierry (2021). Synthesis of photoactivable oligosaccharide derivatives from 1,2-cyclic carbamate building blocks and study of their interaction with carbohydrate-binding proteins. Carbohydrate research, 508:108399.
  - Gouda, Laxman; Sévery, Laurent; Moehl, Thomas; Mas-Marzá, Elena; Adams, Pardis; Fabregat-Santiago, Francisco; Tilley, David (2021). Tuning the selectivity of biomass oxidation over oxygen evolution on NiO–OH electrodes. Green Chemistry, 23(20):8061-8068.
  - Joly, Laurent; Meißner, Robert H; Iannuzzi, Marcella; Tocci, Gabriele (2021). Osmotic Transport at the Aqueous Graphene and hBN Interfaces: Scaling Laws from a Unified, First-Principles Description. ACS Nano, 15(9):15249-15258.
  - Alexander, Orbett T; Alberto, Roger; Roodt, Andreas (2021). The crystal structure of cis-diaqua-bis (N-butyl-N-(pyridin-2-yl)pyridin-2-amine-κ2N,N′)cobalt(II)] dichloride trihydrate, C28H44Cl2N6O5Co. Zeitschrift für Kristallographie - New Crystal Structures, 236(5):1065-1068.
  - Irziqat, Bahaaeddin; Cebrat, Aleksandra; Baljozović, Miloš; Martin, Kévin; Parschau, Manfred; Avarvari, Narcis; Ernst, Karl‐Heinz (2021). Stereospecific on-Surface Cyclodehydrogenation of Bishelicenes: Preservation of Handedness from Helical to Planar Chirality. Chemistry - A European Journal, 27(54):13523-13526.
  - Reith, Lukas; Triana, Carlos A; Pazoki, Faezeh; Amiri, Mehran; Nyman, May; Patzke, Greta R (2021). Unraveling Nanoscale Cobalt Oxide Catalysts for the Oxygen Evolution Reaction: Maximum Performance, Minimum Effort. Journal of the American Chemical Society, 143(37):15022-15038.
  - Zhang, Xi; Yang, Wooseok; Niu, Wenzhe; Adams, Pardis; Siol, Sebastian; Wang, Zhenbin; Tilley, S David (2021). Thiol-Amine-Based Solution Processing of Cu2S Thin Films for Photoelectrochemical Water Splitting. ChemSusChem, 14(18):3967-3974.
  - Özel Duygan, Birge D; Gaille, Caroline; Fenner, Kathrin; van der Meer, Jan R (2021). Assessing Antibiotics Biodegradation and Effects at Sub-inhibitory Concentrations by Quantitative Microbial Community Deconvolution. Frontiers in Environmental Science, 9:737247.
  - Reinholdt, Peter; Vidal, Marta L; Kongsted, Jacob; Iannuzzi, Marcella; Coriani, Sonia; Odelius, Michael (2021). Nitrogen K-Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods. Journal of Physical Chemistry Letters, 12(36):8865-8871.
  - Chesnokov, Gleb A; Gademann, Karl (2021). Concise Total Synthesis of Peyssonnoside A. Journal of the American Chemical Society, 143(35):14083-14088.
  - Ma, KeYuan; Gornicka, Karolina; Lefèvre, Robin; Yang, Yikai; Rønnow, Henrik M; Jeschke, Harald O; Klimczuk, Tomasz; Von Rohr, Fabian O (2021). Superconductivity with High Upper Critical Field in the Cubic Centrosymmetric $\eta$-Carbide $Nb_4Rh_2C_{1−\sigma}$. ACS Materials Au, 1(1):55-61.
  - Fenner, Kathrin; Men, Yujie (2021). Comment on “Role of Ammonia Oxidation in Organic Micropollutant Transformation during Wastewater Treatment”: Overlooked Evidence to the Contrary. Environmental Science & Technology, 55(17):12128-12129.
  - Schnell, Simon D; González, Jorge A; Sklyaruk, Jan; Linden, Anthony; Gademann, Karl (2021). Boron Trifluoride-Mediated Cycloaddition of 3-Bromotetrazine and Silyl Enol Ethers: Synthesis of 3-Bromo-pyridazines. Journal of Organic Chemistry, 86(17):12008-12023.
  - Chalifour, Annie; Walser, Jean-Claude; Pomati, Francesco; Fenner, Kathrin (2021). Temperature, phytoplankton density and bacteria diversity drive the biotransformation of micropollutants in a lake ecosystem. Water research, 202:117412.
  - Lamb, Jennifer; Šimaitis, Joris; Halukeerthi, Siriney O; Salzmann, Christoph G; Holland, Jason P (2021). Graphene Nanoflake Antibody Conjugates for Multimodal Imaging of Tumors. Advanced NanoBiomed Research, 1(9):2100009.
  - Toklo, Placide M; Yayi Ladekan, Eléonore; Linden, Anthony; Hounzangbe-Adote, Sylvie; Kouam, Siméon F; Gbenou, Joachim D (2021). Anthelmintic flavonoids and other compounds from Combretum glutinosum Perr. ex DC (Combretaceae) leaves. Acta Crystallographica. Section C: Structural Chemistry, 77(9):505-512.
  - Walicka, Dorota I; Guguchia, Zurab; Lago, Jorge; Blacque, Olivier; Ma, KeYuan; Liu, Huanlong; Khasanov, Rustem; von Rohr, Fabian O (2021). Two-gap to single-gap superconducting transition on a honeycomb lattice in $C_{a1−x}Sr_{x}AlSi$. Physical review research, 3:033192.
  - de Roo, Jonathan; Hartrampf, Nina; Merz, Leo (2021). The Young Faculty Meeting 2021 – A Focus on Group Management. CHIMIA International Journal for Chemistry, 75(7):692-694.
  - Pandiarajan, Devaraj; Fox, Thomas; Spingler, Bernhard (2021). An N4-Tetradentate Hydrazone Ligand That Binds in a Neutral, Mono- and Bisdeprotonated Form to Iron(II) and Zinc(II) Metal Ions. Crystals, 11(8):982.
  - Gallou, Fabrice; Fenner, Kathrin (2021). A Roadmap Towards Sustainable Chemical Products and Processes for Switzerland. CHIMIA International Journal for Chemistry, 75(7-8):697.
  - Li, Jingguo; Chen, Hang; Triana, Carlos A; Patzke, Greta R (2021). Hematite Photoanodes for Water Oxidation: Electronic Transitions, Carrier Dynamics, and Surface Energetics. Angewandte Chemie Internationale Edition, 60(34):18380-18396.
  - Hübner, Uwe; Wolff, David; Achermann, Stefan; Drewes, Jörg E; Wick, Arne; Fenner, Kathrin (2021). Analyzing (Initial) Biotransformation Reactions as an Organizing Principle for Unraveling the Extent of Trace Organic Chemical Biotransformation in Biofiltration Systems. ACS Sensors, 1(8):1921-1931.
  - Hübner, Uwe; Wolff, David; Achermann, Stefan; Drewes, Jörg E; Wick, Arne; Fenner, Kathrin (2021). Analyzing (Initial) Biotransformation Reactions as an Organizing Principle for Unraveling the Extent of Trace Organic Chemical Biotransformation in Biofiltration Systems. Environmental science & technology letters, 1(8):1921-1931.
  - Hoff, Lukas V; Schnell, Simon D; Tomio, Andrea; Linden, Anthony; Gademann, Karl (2021). Cross-Coupling Reactions of Monosubstituted Tetrazines. Organic Letters, 23(15):5689-5692.
  - Gerhardy, Stefan; Oborská-Oplová, Michaela; Gillet, Ludovic; Börner, Richard; van Nues, Rob; Leitner, Alexander; Michel, Erich; Petkowski, Janusz J; Granneman, Sander; Sigel, Roland K O; Aebersold, Ruedi; Panse, Vikram Govind (2021). Puf6 primes 60S pre-ribosome nuclear export at low temperature. Nature Communications, 12:4696.
  - Braband, Henrik; Benz, Michael; Spingler, Bernhard; Conradie, Jeanet; Alberto, Roger; Ghosh, Abhik (2021). Relativity as a Synthesis Design Principle: A Comparative Study of [3 + 2] Cycloaddition of Technetium(VII) and Rhenium(VII) Trioxo Complexes with Olefins. Inorganic Chemistry, 60(15):11090-11097.
  - Kennes-Veiga, David M; Vogler, Bernadette; Fenner, Kathrin; Carballa, Marta; Lema, Juan M (2021). Heterotrophic enzymatic biotransformations of organic micropollutants in activated sludge. Science of the Total Environment, 780:146564.
  - Brenig, Christopher; Mosberger, Leila; Baumann, Katja; Blacque, Olivier; Zelder, Felix (2021). Redox-Neutral Syntheses and Electrochemical Studies of 10-Bromo-Substituted Light-Stable Antivitamin B12 Candidates. Helvetica Chimica Acta, 104:e21000.
  - Spekowius, Jasmin; Pfister, Rolf; Helbing, Jan (2021). Folding and Unfolding of the Tryptophan Zipper in the Presence of Two Thioamide Substitutions. Journal of Physical Chemistry B, 125(28):7662-7670.
  - Guillou, Amaury; Earley, Daniel F; Klingler, Simon; Nisli, Eda; Nüesch, Laura J; Fay, Rachael; Holland, Jason P (2021). The Influence of a Polyethylene Glycol Linker on the Metabolism and Pharmacokinetics of a 89Zr-Radiolabeled Antibody. Bioconjugate Chemistry, 32(7):1263-1275.
  - Bussy, Augustin; Hutter, Jürg (2021). First-principles correction scheme for linear-response time-dependent density functional theory calculations of core electronic states. Journal of Chemical Physics, 155(3):034108.
  - Lengacher, Raphael; Csucker, Joshua; Hernández-Valdés, Daniel; Spingler, Bernhard; Braband, Henrik; Alberto, Roger (2021). Expanding the Cyclopentadienyl Framework: 99mTc/Re Complexes with Orthogonal Functions for Bioconjugation. Bioconjugate Chemistry, 32(7):1393-1398.
  - Abdi, Zahra; Balaghi, S Esmael; Sologubenko, Alla S; Willinger, Marc-Georg; Vandichel, Matthias; Shen, Jian-Ren; Allakhverdiev, Suleyman I; Patzke, Greta R; Najafpour, Mohammad Mahdi (2021). Understanding the Dynamics of Molecular Water Oxidation Catalysts with Liquid-Phase Transmission Electron Microscopy: The Case of Vitamin B12. ACS Sustainable Chemistry & Engineering, 9(28):9494-9505.
  - Voigt, Jan; Roy, Myriam; Baljozović, Miloš; Wäckerlin, Christian; Coquerel, Yoann; Gingras, Marc; Ernst, Karl‐Heinz (2021). Unbalanced 2D Chiral Crystallization of Pentahelicene Propellers and Their Planarization into Nanographenes. Chemistry - A European Journal, 27(40):10251-10254.
  - Kremer, Geoffroy; Rumo, Maxime; Yue, Changming; Pulkkinen, Aki; Nicholson, Christopher W; Jaouen, Thomas; von Rohr, Fabian O; Werner, Philipp; Monney, Claude (2021). Ultrafast dynamics of the surface photovoltage in potassium-doped black phosphorus. Physical review B, 104(3):035125.
  - Fenner, Kathrin; Elsner, Martin; Lueders, Tillmann; McLachlan, Michael S; Wackett, Lawrence P; Zimmermann, Michael; Drewes, Jörg E (2021). Methodological Advances to Study Contaminant Biotransformation: New Prospects for Understanding and Reducing Environmental Persistence?. ACS Sensors, 1(7):1541-1554.
  - Grad, Lisa; von Rohr, Fabian O; Hengsberger, Matthias; Osterwalder, Jürg (2021). Charge carrier dynamics and self-trapping on Sb2S3(100). Physical Review Materials, 5(7):075401.
  - Gotzmann, Carla; Blacque, Olivier; Fox, Thomas; Alberto, Roger (2021). [Re(η6-C6H5-benzimidazole)2]+ and Derivatives as Dye Mimics; Synthesis, UV Absorption Studies and DFT Calculations. European Journal of Inorganic Chemistry, 2021(25):2493-2498.
  - Klein, Yannick Maximilian; Kozłowski, Mirosław; Linden, Anthony; Lacorre, Philippe; Medarde, Marisa; Gawryluk, Dariusz Jakub (2021). RENiO3 Single Crystals (RE = Nd, Sm, Gd, Dy, Y, Ho, Er, Lu) Grown from Molten Salts under 2000 bar of Oxygen Gas Pressure. Crystal Growth & Design, 21(7):4230-4241.
  - Salmeia, Khalifah A; Dolabella, Simone; Parida, Dambarudhar; Frankcombe, Terry J; Afaneh, Akef T; Cordova, Kyle E; Al-Maythalony, Bassem; Zhao, Shanyu; Civioc, Romain; Marashdeh, Ali; Spingler, Bernhard; Frison, Ruggero; Neels, Antonia (2021). Robust Barium Phosphonate Metal–Organic Frameworks Synthesized under Aqueous Conditions. ACS Materials Letters, 3(7):1010-1015.
  - Schneider, Lukas; Kalt, Martina; Larocca, Michele; Babu, Vipin; Spingler, Bernhard (2021). Potent PBS/Polysorbate-Soluble Transplatin-Derived Porphyrin-Based Photosensitizers for Photodynamic Therapy. Inorganic Chemistry, 60(13):9416-9426.
  - Rumo, Maxime; Pulkkinen, Aki; Salzmann, Björn; Kremer, Geoffroy; Hildebrand, Baptiste; Ma, Ke Yuan; von Rohr, Fabian O; Nicholson, Christopher W; Jaouen, Thomas; Monney, Claude (2021). Insensitivity of the striped charge orders in IrTe2 to alkali surface doping implies their structural origin. Physical Review Materials, 5(7):074002.

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