Recent Publications

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- 2020
  - Grad, Lisa; von Rohr, Fabian; Zhao, Jianzhou; Hengsberger, Matthias; Osterwalder, Jürg (2020). Photoexcited charge carrier dynamics in Sb2Se3(100). Physical Review Materials, 4(10):105404.
  - Fernández-Terán, Ricardo; Hamm, Peter (2020). A closer look into the distance dependence of vibrational energy transfer on surfaces using 2D IR spectroscopy. Journal of Chemical Physics, 153(15):154706.
  - Bozovic, Olga; Zanobini, Claudio; Gulzar, Adnan; Jankovic, Brankica; Buhrke, David; Post, Matthias; Wolf, Steffen; Stock, Gerhard; Hamm, Peter (2020). Real-time observation of ligand-induced allosteric transitions in a PDZ domain. Proceedings of the National Academy of Sciences of the United States of America, 117(42):26031-26039.
  - Rubbiani, Riccardo; Wu, Wenyu; Naik, Anu; Larocca, Michele; Schneider, Lukas; Padrutt, Roxane; Babu, Vipin; König, Christiane; Hinger, Doris; Maake, Caroline; Ferrari, Stefano; Gasser, Gilles; Spingler, Bernhard (2020). Studying the cellular distribution of highly phototoxic platinated metalloporphyrins using isotope labelling. Chemical Communications, 56(92):14373-14376.
  - Han, Ruocheng; Luber, Sandra (2020). Trajectory-based machine learning method and its application to molecular dynamics. Molecular Physics, 118(19-20):e1788189.
  - Meynet, Paola; Davenport, Russell J; Fenner, Kathrin (2020). Understanding the Dependence of Micropollutant Biotransformation Rates on Short-Term Temperature Shifts. Environmental Science & Technology, 54(19):12214-12225.
  - Seller, Carolin; Honti, Mark; Singer, Heinz; Fenner, Kathrin (2020). Biotransformation of chemicals in water–sediment suspensions: influencing factors and implications for persistence assessment. Environmental science & technology letters, 7(11):854-860.
  - Genoux, Alexandre; González, Jorge A; Merino, Estíbaliz; Nevado, Cristina (2020). Mechanistic Insights into C(sp2)−C(sp)N Reductive Elimination from Gold(III) Cyanide Complexes. Angewandte Chemie Internationale Edition, 59(41):17881-17886.
  - Zhao, Yonggui; Wan, Wenchao; Chen, Yi; Erni, Rolf; Triana, Carlos A; Li, Jingguo; Mavrokefalos, Christos K; Zhou, Ying; Patzke, Greta R (2020). Understanding and Optimizing Ultra‐Thin Coordination Polymer Derivatives with High Oxygen Evolution Performance. Advanced Energy Materials, 10(37):2002228.
  - Hernández‐Valdés, Daniel; Fernández‐Terán, Ricardo; Probst, Benjamin; Spingler, Bernhard; Alberto, Roger (2020). CO2 to CO: Photo‐ and electrocatalytic conversion based on Re(I) Bis‐Arene Frameworks: synergisms between catalytic subunits. Helvetica Chimica Acta, 103(10):e2000147.
  - Schuster, Matthias; Deluigi, Mattia; Pantić, Milica; Vacca, Santiago; Baumann, Christian; Scott, Daniel J; Plückthun, Andreas; Zerbe, Oliver (2020). Optimizing the α1B-adrenergic receptor for solution NMR studies. BBA Biomembranes, 1862(10):183354.
  - Guguchia, Zurab; dos Santos, Antonio M; Von Rohr, Fabian; Molaison, Jamie J; Banerjee, Soham; Rhodes, Daniel; Yin, Jiaxin; Khasanov, Rustem; Hone, James; Uemura, Yasutomo J; Hasan, M Zahid; Luetkens, Hubertus; Bozin, Emil S; Amato, Alex (2020). Pressure Induced Topological Quantum Phase Transition in Weyl Semimetal Td-MoTe2. Journal of the Physical Society of Japan, 89(9):094707.
  - Prabhakar, Rajiv Ramanujam; Moehl, Thomas; Siol, Sebastian; Suh, Jihye; Tilley, David (2020). Sb2S3/TiO2 Heterojunction Photocathodes: Band Alignment and Water Splitting Properties. Chemistry of Materials, 32(17):7247-7253.
  - Ilazi, Agron; Huang, Bin; de Almeida Campos, Valery; Gademann, Karl (2020). Synthesis of Colibactin Pyrrolidono[3,4-d]pyridones via Regioselective C(sp3)–H Activation. Organic Letters, 22(17):6858-6862.
  - Salim, Alma; Chesnov, Serge; Freisinger, Eva (2020). Metallation pathway of a plant metallothionein: Cicer arietinum MT2. Journal of Inorganic Biochemistry, 210:111157.
  - Geri, Stepan; Krunclova, Tereza; Janouskova, Olga; Panek, Jiri; Hruby, Martin; Hernández‐Valdés, Daniel; Probst, Benjamin; Alberto, Roger A; Mamat, Constantin; Kubeil, Manja; Stephan, Holger (2020). Light‐activated carbon monoxide prodrugs based on bipyridyl dicarbonyl ruthenium(II) complexes. Chemistry - A European Journal, 26(48):10992-11006.
  - Huangfu, Shangxiong; Guguchia, Zurab; Cheptiakov, Denis; Zhang, Xiaofu; Luetkens, Hubertus; Gawryluk, Dariusz Jakub; Shang, Tian; von Rohr, Fabian O; Schilling, Andreas (2020). Short-range magnetic interactions and spin-glass behavior in the quasi-two-dimensional nickelate Pr4Ni3O8. Physical review B, 102(5):054423.
  - Dolbois, Aymeric; Batiste, Laurent; Wiedmer, Lars; Dong, Jing; Brütsch, Manuela; Huang, Danzhi; Deerain, Nicholas M; Spiliotopoulos, Dimitrios; Cheng-Sánchez, Iván; Laul, Eleen; Nevado, Cristina; Śledź, Paweł; Caflisch, Amedeo (2020). Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. ACS Medicinal Chemistry Letters, 11(8):1573-1580.
  - Forster, Yvonne M; Reusser, Silvan; Forster, Florian; Bienz, Stefan; Bigler, Laurent (2020). VenoMS—A Website for the Low Molecular Mass Compounds in Spider Venoms. Metabolites, 10(8):327.
  - Haider, Victoria; Kreuzer, Viktoria; Tiffner, Maximilian; Spingler, Bernhard; Waser, Mario (2020). Ammonium salt-catalyzed ring-opening of aryl-aziridines with β-keto esters. European Journal of Organic Chemistry, 2020(32):5173-5177.
  - Hernández-Valdés, Daniel; Wettstein, Lionel; Fernandez-Teran, Ricardo; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Nadeem, Qaisar; Alberto, Roger (2020). Dynamic dimer–monomer equilibrium in a cycloruthenated complex of [Re(η6-C6H6)2]+. Chemical Communications, 56(73):10658-10661.
  - Tek, Gökçen; Hamm, Peter (2020). A Correction Scheme for Fano Line Shapes in Two-Dimensional Infrared Spectroscopy. Journal of Physical Chemistry Letters, 11(15):6185-6190.
  - Wei, Xiaofeng; Shu, Wei; García-Domínguez, Andrés; Merino, Estíbaliz; Nevado, Cristina (2020). Asymmetric Ni-Catalyzed Radical Relayed Reductive Coupling. Journal of the American Chemical Society, 142(31):13515-13522.
  - Kuo, Willy; Le, Ngoc An; Spingler, Bernhard; Wenger, Roland H; Kipar, Anja; Hetzel, Udo; Schulz, Georg; Müller, Bert; Kurtcuoglu, Vartan (2020). Simultaneous three-dimensional vascular and tubular imaging of whole mouse kidneys with X-ray μCT. Microscopy and Microanalysis, 26(4):731-740.
  - Alzeer, Jawad; Rieder, Ulrike; Hadeed, Khaled Abou (2020). Good agricultural practices and its compatibility with Halal standards. Trends in Food Science & Technology, 102:237-241.
  - Kooijman, Laurens; Schuster, Matthias; Baumann, Christian; Jurt, Simon; Löhr, Frank; Fürtig, Boris; Güntert, Peter; Zerbe, Oliver (2020). Dynamics of Bacteriorhodopsin in the Dark‐Adapted State from Solution NMR. Angewandte Chemie Internationale Edition:anie.202004393.
  - Sidler, David; Hamm, Peter (2020). A Feynman diagram description of the 2D-Raman-THz response of amorphous ice. Journal of Chemical Physics, 153(4):044502.
  - Suremann, Nina F; Meola, Giuseppe; Blacque, Olivier; Braband, Henrik; Alberto, Roger (2020). Synthesis and reactivity of the rhenium fulvene sandwich complex [Re(η6-C5H4CH2)(η6-C6H6)]+. Organometallics, 39(14):2713-2718.
  - Vitale, Alessandra; Pessi, Gabriella; Urfer, Matthias; Locher, Hans H; Zerbe, Katja; Obrecht, Daniel; Robinson, John A; Eberl, Leo (2020). Identification of genes required for resistance to peptidomimetic antibiotics by transposon sequencing. Frontiers in Microbiology, 11:1681.
  - Habjanič, Jelena; Mathew, Anugraha; Eberl, Leo; Freisinger, Eva (2020). Deciphering the Enigmatic Function of Pseudomonas Metallothioneins. Frontiers in Microbiology, 11:1709.
  - Dorst, Andrea; Shchelik, Inga S; Schäfle, Daniel; Sander, Peter; Gademann, Karl (2020). Synthesis and Biological Evaluation of Iodinated Fidaxomicin Antibiotics. Helvetica Chimica Acta, 103(9):e2000130.
  - Schilling, Mauro; Cunha, Richard A; Luber, Sandra (2020). Enhanced Ab Initio Molecular Dynamics Exploration Unveils the Complex Role of Different Intramolecular Bases on the Water Nucleophilic Attack Mechanism. ACS Catalysis, 10(14):7657-7667.
  - Mališ, Momir; Luber, Sandra (2020). Trajectory Surface Hopping Nonadiabatic Molecular Dynamics with Kohn–Sham ΔSCF for Condensed-Phase Systems. Journal of Chemical Theory and Computation, 16(7):4071-4086.
  - Zhang, Chao; Sayer, Thomas; Hutter, Jürg; Sprik, Michiel (2020). Modelling electrochemical systems with finite field molecular dynamics. JPhys Energy, 2(3):032005.
  - Stücheli, Pascal; Sieber, Simon; Fuchs, David W; Scheller, Leo; Strittmatter, Tobias; Saxena, Pratik; Gademann, Karl; Fussenegger, Martin (2020). Genetically encoded betaxanthin-based small-molecular fluorescent reporter for mammalian cells. Nucleic Acids Research, 48(12):e67-e67.
  - Seibel, Johannes; Parschau, Manfred; Ernst, Karl-Heinz (2020). Double layer crystallization of heptahelicene on noble metal surfaces. Chirality, 32(7):975-980.
  - Bucher, Christoph B; Linden, Anthony; Heimgartner, Heinz (2020). Synthesis and Solid State Conformation of Tetrapeptide Amides Containing two Aib and two (αMe)Phe Residues – Use of Enantiomerically Pure 2-Benzyl-2-methyl-2H-azirin-3-amines as (αMe)Phe-Synthons. Chemistry & Biodiversity, 17(7):e2000246.
  - Senior, Levi; Linden, Anthony (2020). Coordination polymers incorporating Bi(III) and 2,4,6-pyridine tricarboxylic acid and its derivatives: Synthesis, structure and topology. Polyhedron, 184:114564.
  - Klingler, Simon; Fay, Rachael; Holland, Jason P (2020). Light-induced radiosynthesis of 89ZrDFO-azepin-onartuzumab for imaging the hepatocyte growth factor receptor. Journal of Nuclear Medicine, 61(7):1072-1078.
  - Han, Ruocheng; Luber, Sandra (2020). Complete active space analysis of a reaction pathway: Investigation of the oxygen–oxygen bond formation. Journal of Computational Chemistry, 41(17):1586-1597.
  - Alvarez, Ricardo; Nievergelt, Philipp P; Slyshkina, Ekaterina; Müller, Peter; Alberto, Roger; Spingler, Bernhard (2020). Single crystal growth of water-soluble metal complexes with the help of the nano-crystallization method. Dalton Transactions, 49(28):9632-9640.
  - Oppelt, Kerstin; Mosberger, Mathias; Ruf, Jeannette; Fernandez-Teran, Ricardo; Probst, Benjamin; Alberto, Roger; Hamm, Peter (2020). Shedding Light on the Molecular Surface Assembly at the Nanoscale Level: Dynamics of a Re(I) Carbonyl Photosensitizer with a Coadsorbed Cobalt Tetrapyridyl Water Reduction Catalyst on ZrO2. Journal of Physical Chemistry C, 124(23):12502-12511.
  - Lienau, Karla; Triana, Carlos A; Reith, Lukas; Siol, Sebastian; Patzke, Greta R (2020). Microwave-Hydrothermal Tuning of Spinel-Type Co3O4 Water Oxidation Catalysts. Frontiers in Chemistry, 8:473.
  - Guillou, Amaury; Earley, Daniel; Holland, Jason Philip (2020). Light-activated protein-conjugation and 89Zr-radiolabelling with water-soluble desferrioxamine derivatives. Chemistry - A European Journal, 26(32):7185-7189.
  - Rumo, M; Nicholson, C W; Pulkkinen, A; Hildebrand, B; Kremer, G; Salzmann, B; Mottas, M-L; Ma, K Y; Wong, E L; Man, M K L; Dani, K M; Barbiellini, B; Muntwiler, M; Jaouen, T; von Rohr, Fabian O; Monney, C (2020). Examining the surface phase diagram of IrTe2 with photoemission. Physical review B, 101(23):235120.
  - Forster, Yvonne M; Green, Jennifer Leigh; Khatiwada, Apeksha; Liberato, José Luiz; Narayana Reddy, Poli Adi; Salvino, Joseph M; Bienz, Stefan; Bigler, Laurent; dos Santos, Wagner Ferreira; Karklin Fontana, Andréia Cristina (2020). Elucidation of the Structure and Synthesis of Neuroprotective Low Molecular Mass Components of the Parawixia bistriata Spider Venom. ACS Chemical Neuroscience, 11(11):1573-1596.
  - Sieber, Simon; Daeppen, Christophe; Jenul, Christian; Mannancherril, Vidya; Eberl, Leo; Gademann, Karl (2020). Biosynthesis and Structure Activity Relationship Investigations of the Diazeniumdiolate Antifungal Agent Fragin. Chembiochem, 21(11):1587-1592.
  - 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.

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