Recent Publications

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- 2021
  - Güttinger, Robin; Wiprächtiger, Giann; Blacque, Olivier; Patzke, Greta R (2021). Co/Ni-polyoxotungstate photocatalysts as precursor materials for electrocatalytic water oxidation. RSC Advances, 11(19):11425-11436.
  - Bussy, Augustin; Hutter, Jürg (2021). Efficient and low-scaling linear-response time-dependent density functional theory implementation for core-level spectroscopy of large and periodic systems. Physical Chemistry Chemical Physics (PCCP), 23(8):4736-4746.
  - Oppelt, Kerstin T; Sevéry, Laurent; Utters, Mirjam; Tilley, S David; Hamm, Peter (2021). Flexible to rigid: IR spectroscopic investigation of a rhenium-tricarbonyl-complex at a buried interface. Physical Chemistry Chemical Physics (PCCP), 23(7):4311-4316.
  - Ruf, Jeannette; Hamm, Peter; Buhrke, David (2021). Needles in a haystack: H-bonding in an optogenetic protein observed with isotope labeling and 2D-IR spectroscopy. Physical Chemistry Chemical Physics (PCCP), 23(17):10267-10273.
  - Kutus, Bence; Shalit, Andrey; Hamm, Peter; Hunger, Johannes (2021). Dielectric response of light, heavy and heavy-oxygen water: isotope effects on the hydrogen-bonding network's collective relaxation dynamics. Physical Chemistry Chemical Physics (PCCP), 23(9):5467-5473.
  - Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D; Herbert, David E; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed (2021). Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies. CrystEngComm, 23(36):6322-6339.
  - Li, J; Triana, Carlos A; Wan, W; Adiyeri Saseendran, D P; Zhao, Y; Balaghi, S Esmael; Heidari, S; Patzke, G R (2021). Molecular and heterogeneous water oxidation catalysts: recent progress and joint perspectives. Chemical Society reviews, 50(4):2444-2485.
  - Witteveen, Catherine; Górnicka, Karolina; Chang, Johan; Månsson, Martin; Klimczuk, Tomasz; von Rohr, Fabian O (2021). Polytypism and superconductivity in the NbS2 system. Dalton Transactions, 50(9):3216-3223.
  - Kappenthuler, Steve; Seeger, Stefan (2021). Holistic evaluation of the suitability of metal alloys for sustainable marine construction from a technical, economic and availability perspective. Ocean Engineering, 219:108378.
  - Rehm, Karoline; Hankele, A K; Ulbrich, S E; Bigler, Laurent (2021). Simultaneous quantification of progestogens in plasma and serum by UHPLC-HRMS employing multiplexed targeted single ion monitoring. Talanta, 232:122358.
- 2020
  - Buhrke, David; Oppelt, Kerstin T; Heckmeier, Philipp J; Fernandez-Teran, Ricardo; Hamm, Peter (2020). Nanosecond protein dynamics in a red/green cyanobacteriochrome revealed by transient IR spectroscopy. Journal of Chemical Physics, 153(24):245101.
  - Beucher, Hélène; Kumar, Sudhir; Kumar, Roopender; Merino, Estíbaliz; Hu, Wei‐Hsu; Stemmler, Gerrit; Cuesta‐Galisteo, Sergio; González, Jorge A; Bezinge, Léonard; Jagielski, Jakub; Shih, Chih‐Jen; Nevado, Cristina (2020). Phosphorescent κ 3 -(N^C^C)-Gold(III) Complexes: Synthesis, Photophysics, Computational Studies and Application to Solution-Processable OLEDs. Chemistry - A European Journal, 26(72):17604-17612.
  - Lamb, Jennifer; d'Orchymont, Faustine; Fay, Rachael; Gribi, Florian; Flores, Jose Esteban; Gut, Melanie; Klingler, Simon; Pires, Patricia; Bühler, Jan; Behmaneshfar, Shamisa; Guillou, Amaury; Earley, Daniel F; Holland, Jason P (2020). Expanding the Chemistry Palette for Radiotracer Synthesis. CHIMIA International Journal for Chemistry, 74(12):946-952.
  - Shchelik, Inga S; Sieber, Simon; Gademann, Karl (2020). Green Algae as a Drug Delivery System for the Controlled Release of Antibiotics. Chemistry - A European Journal, 26(70):16644-16648.
  - Gurdal, Yeliz; Iannuzzi, Marcella (2020). Comparison of penta and tetra‐pyridyl cobalt‐based catalysts for water reduction: H 2 production cycle, solvent response and reduction free energy. ChemPhysChem, 21(24):2692-2700.
  - Linden, Anthony; Magirius, J E Florian; Heimgartner, Heinz (2020). Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid. Acta Crystallographica. Section C: Structural Chemistry, C76:1-9.
  - Perinelli, Monica; Tegoni, Matteo; Freisinger, Eva (2020). Different Behavior of the Histidine Residue toward Cadmium and Zinc in a Cadmium-Specific Metallothionein from an Aquatic Fungus. Inorganic Chemistry, 59(23):16988-16997.
  - Anliker, Sabine; Patrick, Michael; Fenner, Kathrin; Singer, Heinz (2020). Quantification of Active Ingredient Losses from Formulating Pharmaceutical Industries and Contribution to Wastewater Treatment Plant Emissions. Environmental Science & Technology, 54(23):15046-15056.
  - Bozovic, Olga; Jankovic, Brankica; Hamm, Peter (2020). Sensing the allosteric force. Nature Communications, 11:5841.
  - Sieber, Simon; Hsiao, Chien-Chi; Emmanouilidou, Despina; Debowski, Aleksandra W; Stubbs, Keith A; Gademann, Karl (2020). Syntheses and biological investigations of kirkamide and oseltamivir hybrid derivatives. Tetrahedron, 76(51):131386.
  - Karges, Johannes; Kuang, Shi; Maschietto, Federica; Blacque, Olivier; Ciofini, Ilaria; Chao, Hui; Gasser, Gilles (2020). Rationally designed ruthenium complexes for 1- and 2-photon photodynamic therapy. Nature Communications, 11:3262.
  - Zughdani, Mhmuod; Yusufoğlu, Hasan Soliman; Ekiz, Güner; Linden, Anthony; Çalış, İhsan (2020). Ecdysteroids from the underground parts of Rhaponticum acaule (L.) DC. Phytochemistry, 180:112530.
  - Ozdas, Mehmet S; Shah, Aagam S; Johnson, Paul M; Patel, Nisheet; Marks, Markus; Yasar, Tansel Baran; Stalder, Urs; Bigler, Laurent; von der Behrens, Wolfger; Sirsi, Shashank R; Yanik, Mehmet Fatih (2020). Non-invasive molecularly-specific millimeter-resolution manipulation of brain circuits by ultrasound-mediated aggregation and uncaging of drug carriers. Nature Communications, 11:4929.
  - Steffen, Fabio D; Khier, Mokrane; Kowerko, Danny; Cunha, Richard A; Börner, Richard; Sigel, Roland K O (2020). Metal ions and sugar puckering balance single-molecule kinetic heterogeneity in RNA and DNA tertiary contacts. Nature Communications, 11(1):104.
  - Rybkin, Vladimir V (2020). Mechanism of Aqueous Carbon Dioxide Reduction by the Solvated Electron. Journal of Physical Chemistry B, 124(46):10435-10441.
  - Dhankhar, Jyoti; González-Fernández, Elisa; Dong, Chao-Chen; Mukhopadhyay, Tufan K; Linden, Anthony; Coric, Ilija (2020). Spatial Anion Control on Palladium for Mild C–H Arylation of Arenes. Journal of the American Chemical Society, 142(45):19040-19046.
  - Stein, Frederick; Hutter, Jürg; Rybkin, Vladimir V (2020). Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and Evaluation. Molecules, 25(21):5174.
  - González, Jorge A; Verdugo, Felipe; Mascareñas, José Luis; López, Fernando; Nevado, Cristina (2020). [C^N]‐Alkenyl Gold(III) Complexes by Proximal Ring‐Opening of (2‐Pyridyl)alkylidenecyclopropanes: Mechanistic Insights. Angewandte Chemie Internationale Edition, 59(45):20049-20054.
  - Sauser, Luca; Shoshan, Michal S (2020). Harnessing Peptides against lead pollution and poisoning: Achievements and prospects. Journal of Inorganic Biochemistry, 212:111251.
  - Guillou, Amaury; Earley, Daniel F; Patra, Malay; Holland, Jason P (2020). Light-induced synthesis of protein conjugates and its application in photoradiosynthesis of 89Zr-radiolabeled monoclonal antibodies. Nature Protocols, 15(11):3579-3594.
  - Gates, Zachary P; Hartrampf, Nina (2020). Flow-based SPPS for protein synthesis: A perspective. Peptide Science, 112(6):e24198.
  - Mlostoń, Grzegorz; Heimgartner, Heinz (2020). Reactions of thiocarbonyl compounds with electrophilic and nucleophilic carbenes as well as with their metal complexes. Journal of Sulfur Chemistry, 41(6):672-700.
  - Wan, Wenchao; Triana, Carlos A; Lan, Jinggang; Li, Jingguo; Allen, Christopher S; Zhao, Yonggui; Iannuzzi, Marcella; Patzke, Greta R (2020). Bifunctional single atom electrocatalysts: coordination–performance correlations and reaction pathways. ACS Nano, 14(10):13279-13293.
  - Farrell, Kieran M; Ostrander, Josh S; Jones, Andrew C; Yakami, Baichhabi R; Dicke, Sidney S; Middleton, Chris T; Hamm, Peter; Zanni, Martin T (2020). Shot-to-shot 2D IR spectroscopy at 100 kHz using a Yb laser and custom-designed electronics. Optics Express, 28(22):33584.
  - 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 O; 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.

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