Recent Publications

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- 2020
  - Fernandez-Teran, Ricardo; Ruf, Jeannette; Hamm, Peter (2020). Vibrational Couplings in Hydridocarbonyl Complexes: A 2D-IR Perspective. Inorganic Chemistry, 59(11):7721-7726.
  - Senior, Levi; Linden, Anthony (2020). Halobismuth(III) salts with substituted aminopyridinium cations. Acta Crystallographica. Section C: Structural Chemistry, 76(6):562-571.
  - Linden, Anthony (2020). Obtaining the best results: aspects of data collection, model finalization and interpretation of results in small-molecule crystal-structure determination. Acta Crystallographica. Section E: Structure Reports Online, 76(6):765-775.
  - Senior, Levi; Linden, Anthony (2020). The missing crystal structure in the series of N,N′,N′′-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamides: the 2-pyridinyl derivative. Acta Crystallographica. Section E: Structure Reports Online, 76(6):776-779.
  - Dallinger, Reinhard; Zerbe, Oliver; Baumann, Christian; Egger, Bernd; Capdevila, Merce; Palacios, Oscar; Albalat, Ricard; Calatayud, Sara; Ladurner, Peter; Schlick-Steiner, Birgit C; Steiner, Florian M; Pedrini-Martha, Veronica; Lackner, R; Lindner, Herbert; Dvorak, M; Niederwanger, Michael (2020). Metallomics reveals a persisting impact of cadmium on the evolution of metal-selective snail metallothioneins. Metallomics, 12(5):702-720.
  - Grau, Sergi; Schilling, Mauro; Moonshiram, Dooshaye; Benet‐Buchholz, Jordi; Luber, Sandra; Llobet, Antoni; Gimbert‐Suriñach, Carolina (2020). Electrochemically and Photochemically Induced Hydrogen Evolution Catalysis with Cobalt Tetraazamacrocycles Occurs Through Different Pathways. ChemSusChem, 13(10):2745-2752.
  - Kühne, Thomas D; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z; Schütt, Ole; Schiffmann, Florian; Golze, Dorothea; Wilhelm, Jan; Chulkov, Sergey; Bani-Hashemian, Mohammad Hossein; Weber, Valéry; Borštnik, Urban; Taillefumier, Mathieu; Jakobovits, Alice Shoshana; Lazzaro, Alfio; Pabst, Hans; Müller, Tiziano; Schade, Robert; Guidon, Manuel; Andermatt, Samuel; et al; Hehn, Anna; Bussy, Augustin; Belleflamme, Fabian; VandeVondele, Joost; Hutter, Jürg (2020). CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. Journal of Chemical Physics, 152(19):194103.
  - Alzeer, Jawad; Abou Hadeed, Khaled; Basar, Hayriye; Al-Razem, Fawzi; Abdel-Wahhab, Mosaad A; Alhamdan, Yousef (2020). Cannabis and Its Permissibility Status. Cannabis and Cannabinoid Research:Epub ahead of print.
  - Lan, Jinggang; Rybkin, Vladimir V; Iannuzzi, Marcella (2020). Ionization of water as an effect of quantum delocalization at aqueous electrode interfaces. Journal of Physical Chemistry Letters, 11(9):3724-3730.
  - Karges, Johannes; Blacque, Olivier; Gasser, Gilles (2020). Metal dipyrrin complexes as potential photosensitizers for photodynamic therapy. Inorganica Chimica Acta, 505:119482.
  - Fay, Rachael; Linden, Anthony; Holland, Jason P (2020). PhotoTag: Photoactivatable Fluorophores for Protein Labeling. Organic Letters, 22(9):3499-3503.
  - Dorst, Andrea; Jung, Erik; Gademann, Karl (2020). Recent Advances in Mode of Action and Biosynthesis Studies of the Clinically Used Antibiotic Fidaxomicin. CHIMIA International Journal for Chemistry, 74(4):270-273.
  - Yadav, Prerna; Zelder, Felix Hubertus (2020). Metal-Salen-based Probes for the Selective Detection of Phosphates via a Disassembly Approach. CHIMIA International Journal for Chemistry, 74(4):252-256.
  - Le, Ngoc An; Kuo, Willy; Müller, Bert; Kurtcuoglu, Vartan; Spingler, Bernhard (2020). Crosslinkable polymeric contrast agent for high-resolution X-ray imaging of the vascular system. Chemical Communications, 56(44):5885-5888.
  - Al-Wahaibi, Lamya H; Alvarez, Natalia; Blacque, Olivier; Veiga, Nicolás; Al-Mutairi, Aamal A; El-Emam, Ali A (2020). Synthesis and Structure Insights of Two Novel Broad-Spectrum Antibacterial Candidates Based on (E)-N′-[(Heteroaryl)methylene]adamantane-1-carbohydrazides. Molecules, 25(8):1934.
  - Yadav, Prerna; Jakubaszek, Marta; Spingler, Bernhard; Goud, Bruno; Gasser, Gilles; Zelder, Felix (2020). FeIII–salen based Probes for the Selective and Sensitive Detection of E450 in Foodstuff. Chemistry - A European Journal, 26(25):5717-5723.
  - Schilling, Mauro; Cunha, Richard A; Luber, Sandra (2020). Zooming in on the O–O Bond Formation—An Ab Initio Molecular Dynamics Study Applying Enhanced Sampling Techniques. Journal of Chemical Theory and Computation, 16(4):2436-2449.
  - Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahínos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles (2020). Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy. Journal of the American Chemical Society, 142(14):6578-6587.
  - Anliker, Sabine; Loos, Martin; Comte, Rahel; Ruff, Matthias; Fenner, Kathrin; Singer, Heinz (2020). Assessing Emissions from Pharmaceutical Manufacturing Based on Temporal High-Resolution Mass Spectrometry Data. Environmental Science & Technology, 54(7):4110-4120.
  - Dubois, Valentin; Serrano, Diana; Zhang, Xiaotian; Seeger, Stefan (2020). Structure Analysis of Amyloid Aggregates at Lipid Bilayers by Supercritical Angle Raman Microscopy. Analytical Chemistry, 92(7):4963-4970.
  - Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J; Beckord, Jan; Blacque, Olivier; Tilley, S David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger (2020). Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2. Catalysis Science & Technology, 10(8):2549-2560.
  - Dorst, Andrea; Gademann, Karl (2020). Chemistry and Biology of the Clinically Used Macrolactone Antibiotic Fidaxomicin. Helvetica Chimica Acta, 103(4):e2000038.
  - Kapil, Venkat; Wilkins, David M; Lan, Jinggang; Ceriotti, Michele (2020). Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats. Journal of Chemical Physics, 152(12):124104.
  - Zhang, Xiaofu; Winter, Natascha; Witteveen, Catherine; Moehl, Thomas; Xiao, Yuan; Krogh, Fabio; Schilling, Andreas; von Rohr, Fabian O (2020). Preparation and characterization of high-entropy alloy (TaNb)1−x(ZrHfTi)x superconducting films. Physical Review Research, 2(1):013375.
  - Huangfu, Shangxiong; Jakub, Gawryluk Dariusz; Zhang, Xiaofu; Blacque, Olivier; Puphal, Pascal; Pomjakushina, Ekaterina; von Rohr, Fabian O; Schilling, Andreas (2020). Anisotropic character of the metal-to-metal transition in Pr4Ni3O10. Physical review B, 101(10):104104.
  - Mansfeldt, Cresten; Deiner, Kristy; Mächler, Elvira; Fenner, Kathrin; Eggen, Rik I L; Stamm, Christian; Schönenberger, Urs; Walser, Jean-Claude; Altermatt, Florian (2020). Microbial community shifts in streams receiving treated wastewater effluent. Science of the Total Environment, 709:135727.
  - Fenner, Kathrin; Screpanti, Claudio; Renold, Peter; Rouchdi, Marwa; Vogler, Bernadette; Rich, Stephanie (2020). Comparison of Small Molecule Biotransformation Half-Lives between Activated Sludge and Soil: Opportunities for Read-Across?. Environmental Science & Technology, 54(6):3148-3158.
  - Siol, Sebastian; Ott, Noémie; Beall, Casey; Stiefel, Michael; Unutulmazsoy, Yeliz; Döbeli, Max; Tilley, S David; Schmutz, Patrik; Jeurgens, Lars P H; Cancellieri, Claudia (2020). A combinatorial guide to phase formation and surface passivation of tungsten titanium oxide prepared by thermal oxidation. Acta Materialia, 186:95-104.
  - Zeman, Otto E O; Von Rohr, Fabian O; Neudert, Lukas; Schnick, Wolfgang (2020). Facile One‐step Synthesis of Zn1–xMnxSiN2 Nitride Semiconductor Solid Solutions via Solid‐state Metathesis Reaction. Zeitschrift für Anorganische und Allgemeine Chemie, 646(4):228-233.
  - Sieber, Simon; Grendelmeier, Simone M; Harris, Lonnie A; Mitchell, Douglas A; Gademann, Karl (2020). Microviridin 1777: A Toxic Chymotrypsin Inhibitor Discovered by a Metabologenomic Approach. Journal of natural products, 83(2):438-446.
  - Beucher, Hélène; Kumar, Sudhir; Merino, Estíbaliz; Hu, Wei-Hsu; Stemmler, Gerrit; Cuesta-Galisteo, Sergio; González, Jorge A; Jagielski, Jakub; Shih, Chih-Jen; Nevado, Cristina (2020). Highly Efficient Green Solution Processable Organic Light-Emitting Diodes Based on a Phosphorescent κ3-(N^C^C)Gold(III)-Alkynyl Complex. Chemistry of Materials, 32(4):1605-1611.
  - Zhao, Yonggui; Mavrokefalos, Christos K; Zhang, Ping; Erni, Rolf; Li, Jingguo; Triana, Carlos A; Patzke, Greta R (2020). Self-Templating Strategies for Transition Metal Sulfide Nanoboxes as Robust Bifunctional Electrocatalysts. Chemistry of Materials, 32(4):1371-1383.
  - Varlow, Cassis; Murrell, Emily; Holland, Jason P; Kassenbrock, Alina; Shannon, Whitney; Liang, Steven H; Vasdev, Neil; Stephenson, Nickeisha A (2020). Revisiting the Radiosynthesis of [18F]FPEB and Preliminary PET Imaging in a Mouse Model of Alzheimer’s Disease. Molecules, 25(4):982.
  - Santos-Cottin, David; Martino, Edoardo; Le Mardelé, Florian; Witteveen, Catherine; Von Rohr, Fabian O; Homes, Christopher C; Rukelj, Zoran; Akrap, Ana (2020). Low-energy excitations in type-II Weyl semimetal Td−MoTe2 evidenced through optical conductivity. Physical Review Materials, 4(2):021201.
  - Balaghi, S Esmael; Triana, Carlos A; Patzke, Greta R (2020). Molybdenum-Doped Manganese Oxide as a Highly Efficient and Economical Water Oxidation Catalyst. ACS Catalysis, 10(3):2074-2087.
  - Holland, Jason P (2020). Predicting the Thermodynamic Stability of Zirconium Radiotracers. Inorganic Chemistry, 59(3):2070-2082.
  - Novotny, Zbynek; Aegerter, Dino; Comini, Nicolò; Tobler, Benjamin; Artiglia, Luca; Maier, Urs; Moehl, Thomas; Fabbri, Emiliana; Huthwelker, Thomas; Schmidt, Thomas J; Ammann, Markus; van Bokhoven, Jeroen A; Raabe, Jörg; Osterwalder, Jürg (2020). Probing the solid–liquid interface with tender x rays: a new ambient-pressure x-ray photoelectron spectroscopy endstation at the Swiss Light Source. Review of Scientific Instruments, 91(2):023103.
  - Simonov, Arkadiy; De Baerdemaeker, Trees; Boström, Hanna L B; Ríos Gómez, María Laura; Gray, Harry J; Chernyshov, Dmitry; Bosak, Alexey; Bürgi, Hans-Beat; Goodwin, Andrew L (2020). Hidden diversity of vacancy networks in Prussian blue analogues. Nature, 578(7794):256-260.
  - Saddiqi, Naeem-ul-Hasan; Seeger, Stefan (2020). Droplet assisted growth and shaping of alumina and mixed alumina-silicone 1-dimensional nanostructures. Journal of Colloid and Interface Science, 560:77-84.
  - Gottwald, Esther M; Schuh, Claus D; Drücker, Patrick; Haenni, Dominik; Pearson, Adam; Ghazi, Susan; Bugarski, Milica; Polesel, Marcello; Duss, Michael; Landau, Ehud M; Kaech, Andres; Ziegler, Urs; Lundby, Anne K M; Lundby, Carsten; Dittrich, Petra S; Hall, Andrew M (2020). The iron chelator Deferasirox causes severe mitochondrial swelling without depolarization due to a specific effect on inner membrane permeability. Scientific Reports, 10(1):1577.
  - Mlostoń, Grzegorz; Jasinski, Radomir; Kula, Karolina; Heimgartner, Heinz (2020). A DFT Study on the Barton–Kellogg Reaction – The Molecular Mechanism of the Formation of Thiiranes in the Reaction between Diphenyldiazomethane and Diaryl Thioketones. European Journal of Organic Chemistry, 2020(2):176-182.
  - Nadeem, Qaisar; Meola, Giuseppe; Braband, Henrik; Bolliger, Robin; Blacque, Olivier; Hernández-Valdés, Daniel; Alberto, Roger (2020). To Sandwich Technetium: Highly Functionalized Bis‐Arene Complexes [99mTc(η6‐arene)2]+ Directly from Water and [99mTcO4]−. Angewandte Chemie Internationale Edition, 59(3):1197-1200.
  - Kordestani, Nazanin; Amiri Rudbari, Hadi; Fernandes, Alexandra R; Raposo, Luís R; Baptista, Pedro Viana; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D; Herbert, David E; Blacque, Olivier (2020). Antiproliferative Activities of Diimine-based Mixed Ligand Copper(II) Complexes. ACS Combinatorial Science, 22(2):89-99.
  - Rybkin, Vladimir V (2020). Sampling Potential Energy Surfaces in the Condensed Phase with Many‐Body Electronic Structure Methods. Chemistry - A European Journal, 26(2):362-368.
  - Clerc, Michèle; Heinemann, Franz; Spingler, Bernhard; Gasser, Gilles (2020). A Luminescent NOTA-Based Terbium(III) “Turn-Off” Sensor for Copper. Inorganic Chemistry, 59(1):669-677.
  - Ravat, Prince; Blacque, Olivier; Juricek, Michal (2020). Benzo[cd]triangulene: A Spin 1/2 Graphene Fragment. Journal of Organic Chemistry, 85(1):92-100.
  - Holland, Jason P; Gut, Melanie; Klingler, Simon; Fay, Rachael; Guillou, Amaury (2020). Photochemical Reactions in the Synthesis of Protein–Drug Conjugates. Chemistry - A European Journal, 26(1):33-48.
  - Mlostoń, Grzegorz; Urbaniak, Katarzyna; Jasiński, Marcin; Würthwein, Ernst-Ulrich; Heimgartner, Heinz; Zimmer, Reinhold; Reissig, Hans-Ulrich (2020). The [4+2]‐Cycloaddition of α‐Nitrosoalkenes with Thiochalcones as a Prototype of Periselective Hetero‐Diels–Alder Reactions—Experimental and Computational Studies. Chemistry - A European Journal, 26(1):237-248.
  - Bulfin, Brendan; Vieten, Josua; Richter, Sebastian; Naik, J Madhusudhan; Patzke, Greta R; Roeb, Martin; Sattler, Christian; Steinfeld, Aldo (2020). Isothermal relaxation kinetics for the reduction and oxidation of SrFeO3 based perovskites. Physical Chemistry Chemical Physics (PCCP), 22(4):2466-2474.
  - Fagiolari, Lucia; Zaccaria, Francesco; Costantino, Ferdinando; Vivani, Riccardo; Mavrokefalos, Christos K; Patzke, Greta R; Macchioni, Alceo (2020). Ir- and Ru-doped layered double hydroxides as affordable heterogeneous catalysts for electrochemical water oxidation. Dalton Transactions, 49(8):2468-2476.

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