Recent Publications

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- 2020
  - 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.
  - Kama, Dumisani V; Brink, Alice; Alberto, Roger; Roodt, Andreas (2020). Crystal structure of hexacarbonyl-(μ2-methanoato-k2O:O′)-(μ2–bis(di-p-tolylphosphino)cyclohexylamine-κ2P:P′)dirhenium(I), C42H45NO8P2Re2. Zeitschrift für Kristallographie - New Crystal Structures, 235(2):303-305.
  - 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.
  - Wang, Wei; Heggen, Marc; Cui, Wei; Probst, Benjamin; Alberto, Roger; Cui, Chunhua (2020). Synergizing hole accumulation and transfer on composite Ni/CoOx for photoelectrochemical water oxidation. Chemical Communications, 56(70):10179-10182.
  - Malaspina, Lorraine A; Hoser, Anna A; Edwards, Alison J; Woińska, Magdalena; Turner, Michael J; Price, Jason R; Sugimoto, Kunihisa; Nishibori, Eiji; Bürgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon (2020). Hydrogen atoms in bridging positions from quantum crystallographic refinements: influence of hydrogen atom displacement parameters on geometry and electron density. CrystEngComm, 22(28):4778-4789.
  - 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.
  - Yang, Wooseok; Park, Jaemin; Kwon, Hyeok-Chan; Hutter, Oliver S; Phillips, Laurie J; Tan, Jeiwan; Lee, Hyungsoo; Lee, Junwoo; Tilley, S David; Major, Jonathan D; Moon, Jooho (2020). Solar water splitting exceeding 10% efficiency via low-cost Sb2Se3 photocathodes coupled with semitransparent perovskite photovoltaics. Energy & Environmental Science, 13(11):4362-4370.
  - Herrero, Cecilia; Tocci, Gabriele; Merabia, Samy; Joly, Laurent (2020). Fast increase of nanofluidic slip in supercooled water: the key role of dynamics. Nanoscale, 12(39):20396-20403.
  - Schnell, Simon D; Hoff, Lukas V; Panchagnula, Advaita; Wurzenberger, Maximilian H H; Klapötke, Thomas M; Sieber, Simon; Linden, Anthony; Gademann, Karl (2020). 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines. Chemical Science, 11(11):3042-3047.
  - Tocci, Gabriele; Bilichenko, Maria; Joly, Laurent; Iannuzzi, Marcella (2020). Ab initio nanofluidics: disentangling the role of the energy landscape and of density correlations on liquid/solid friction. Nanoscale, 12(20):10994-11000.
  - Ho, Po-Yuen; Komber, Hartmut; Horatz, Kilian; Tsuda, Takuya; Mannsfeld, Stefan C B; Dmitrieva, Evgenia; Blacque, Olivier; Kraft, Ulrike; Sirringhaus, Henning; Lissel, Franziska (2020). Synthesis and characterization of a semiconducting and solution-processable ruthenium-based polymetallayne. Polymer Chemistry, 11(2):472-479.
  - El-Emam, Ali A; Saveeth Kumar, Elangovan; Janani, Krishnakumar; Al-Wahaibi, Lamya H; Blacque, Olivier; El-Awady, Mohamed I; Al-Shaalan, Nora H; Percino, M Judith; Thamotharan, Subbiah (2020). Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis. RSC Advances, 10(17):9840-9853.
  - Mukiza, Janvier; Blacque, Olivier; Habarurema, Gratien; Kampire, Edwige (2020). The reaction of oxidorhenium(v) with dipodal and tripodal aroylhydrazines: formation of dinuclear and trinuclear aroylhydrazone-bridged rhenium(v) complexes. New Journal of Chemistry, 44(17):7080-7090.
  - Lin, Yan; Ong, Yih Ching; Keller, Sarah; Karges, Johannes; Bouchene, Rafika; Manoury, Eric; Blacque, Olivier; Müller, Joachim; Anghel, Nicoleta; Hemphill, Andrew; Häberli, Cécile; Taki, Aya C; Gasser, Robin B; Cariou, Kevin; Keiser, Jennifer; Gasser, Gilles (2020). Synthesis, characterization and antiparasitic activity of organometallic derivatives of the anthelmintic drug albendazole. Dalton Transactions, 49(20):6616-6626.
  - Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D; Herbert, David E; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed (2020). Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands. Dalton Transactions, 49(24):8247-8264.
  - Al-Wahaibi, Lamya H; Chakraborty, Kushumita; Al-Shaalan, Nora H; Syed Majeed, Mohamed Yehya Annavi; Blacque, Olivier; Al-Mutairi, Aamal A; El-Emam, Ali A; Percino, M Judith; Thamotharan, Subbiah (2020). Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study. RSC Advances, 10(60):36806-36817.
  - Unzue, Andrea; Jessen-Trefzer, Claudia; Spiliotopoulos, Dimitrios; Gaudio, Eugenio; Tarantelli, Chiara; Dong, Jing; Zhao, Hongtao; Pachmayr, Johanna; Zahler, Stefan; Bernasconi, Elena; Sartori, Giulio; Cascione, Luciano; Bertoni, Francesco; Śledź, Paweł; Caflisch, Amedeo; Nevado, Cristina (2020). Understanding the mechanism of action of pyrrolo[3,2-b]quinoxaline-derivatives as kinase inhibitors. RSC Medicinal Chemistry, 11(6):665-675.
  - Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger (2020). [Re(η6-arene)2]+ as a highly stable ferrocene-like scaffold for ligands and complexes. Dalton Transactions, 49(16):5250-5256.
  - Duignan, Timothy T; Schenter, Gregory K; Fulton, John L; Huthwelker, Thomas; Balasubramanian, Mahalingam; Galib, Mirza; Baer, Marcel D; Wilhelm, Jan; Hutter, Jürg; Del Ben, Mauro; Zhao, X S; Mundy, Christopher J (2020). Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder. Physical Chemistry Chemical Physics (PCCP), 22(19):10641-10652.
  - Wang, Yuxin; Fenner, Kathrin; Helbling, Damian E (2020). Clustering micropollutants based on initial biotransformations for improved prediction of micropollutant removal during conventional activated sludge treatment. Environmental Science: Water Research and Technology, 6(3):554-565.
  - Habjanič, Jelena; Chesnov, Serge; Zerbe, Oliver; Freisinger, Eva (2020). Impact of naturally occurring serine/cysteine variations on the structure and function of Pseudomonas metallothioneins. Metallomics, 12(1):23-33.
  - Hankele, A K; Rehm, K; Berard, J; Schuler, G; Bigler, L; Ulbrich, S E (2020). Progestogen profiling in plasma during the estrous cycle in cattle using an LC-MS based approach. Theriogenology, 142:376-383.
  - Woodhams, Douglas C; Rollins-Smith, Louise A; Reinert, Laura K; Lam, Briana A; Harris, Reid N; Briggs, Cheryl J; Vredenburg, Vance T; Patel, Bhumi T; Caprioli, Richard M; Chaurand, Pierre; Hunziker, Peter; Bigler, Laurent (2020). Probiotics Modulate a Novel Amphibian Skin Defense Peptide That Is Antifungal and Facilitates Growth of Antifungal Bacteria. Microbial Ecology, 79(1):192-202.
  - Liu, Shanqiu; Wan, Wenchao; Zhang, Xiaotian; De Crema, Alessandro; Seeger, Stefan (2020). All-organic fluorine-free superhydrophobic bulk material with mechanochemical robustness and photocatalytic functionality. Chemical Engineering Journal, 385:123969.
  - Achermann, Stefan; Mansfeldt, Cresten B; Müller, Marcel; Johnson, David R; Fenner, Kathrin (2020). Relating metatranscriptomic profiles to the micropollutant biotransformation potential of complex microbial communities. Environmental Science & Technology, 54(1):235-244.

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