Recent Publications

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- 2020
  - 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.
  - 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.
  - 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.

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