Recent Publications

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- 2021
  - Joliat-Wick, Evelyne; Mosberger, Mathias; Weder, Nicola; Spingler, Bernhard; Probst, Benjamin; Alberto, Roger (2021). Cobalt Complexes of Polypyridyl Ligands for the Photocatalytic Hydrogen Evolution Reaction. CHIMIA International Journal for Chemistry, 75(3):180.
  - Schilling, Mauro; Ketkaew, Rangsiman; Luber, Sandra (2021). How ab initio Molecular Dynamics Can Change the Understanding on Transition Metal Catalysed Water Oxidation. CHIMIA International Journal for Chemistry, 75(3):195-201.
  - Oppelt, Kerstin T; Hamm, Peter (2021). About Control: Kinetics in Molecule-based Photochemical Water Reduction Investigated by Transient IR Spectroscopy. CHIMIA International Journal for Chemistry, 75(3):188-194.
  - Eitzinger, Andreas; Otevrel, Jan; Haider, Victoria; Macchia, Antonio; Massa, Antonio; Faust, Kirill; Spingler, Bernhard; Berkessel, Albrecht; Waser, Mario (2021). Enantioselective Bifunctional Ammonium Salt‐Catalyzed Syntheses of 3‐CF3S‐, 3‐RS‐, and 3‐F‐Substituted Isoindolinones. Advanced Synthesis & Catalysis, 363(7):1955-1962.
  - Schumacher, Isabel; Ndinyanka Fabrice, Tohnyui; Abdou, Marie-Therese; Kuhn, Benjamin M; Voxeur, Aline; Herger, Aline; Roffler, Stefan; Bigler, Laurent; Wicker, Thomas; Ringli, Christoph (2021). Defects in Cell Wall Differentiation of the Arabidopsis Mutant rol1-2 Is Dependent on Cyclin-Dependent Kinase CDK8. Cells, 10(3):685.
  - Liu, Shanqiu; Zhang, Xiaotian; Seeger, Stefan (2021). Tunable bulk material with robust and renewable superhydrophobicity designed via in-situ loading of surface-wrinkled microparticles. Chemical Engineering Journal, 408:127301.
  - Ditler, Edward; Kumar, Chandan; Luber, Sandra (2021). Analytic calculation and analysis of atomic polar tensors for molecules and materials using the Gaussian and plane waves approach. Journal of Chemical Physics, 154(10):104121.
  - Hamm, Peter (2021). Transient 2D IR spectroscopy from micro- to milliseconds. Journal of Chemical Physics, 154(10):104201.
  - Fay, Rachael; Holland, Jason P (2021). Tuning Tetrazole Photochemistry for Protein Ligation and Molecular Imaging. Chemistry - A European Journal, 27(15):4893-4897.
  - Shchelik, Inga S; Tomio, Andrea; Gademann, Karl (2021). Design, Synthesis, and Biological Evaluation of Light-Activated Antibiotics. ACS Infectious Diseases, 7(3):681-692.
  - Mališ, Momir; Luber, Sandra (2021). ΔSCF with Subsystem Density Embedding for Efficient Nonadiabatic Molecular Dynamics in Condensed-Phase Systems. Journal of Chemical Theory and Computation, 17(3):1653-1661.
  - Baumann, Noah; Lan, Jinggang; Iannuzzi, Marcella (2021). CO2 adsorption on the pristine and reduced CeO2 (111) surface: Geometries and vibrational spectra by first principles simulations. Journal of Chemical Physics, 154(9):094702.
  - Heidari, Sima; Balaghi, S Esmael; Sologubenko, Alla S; Patzke, Greta R (2021). Economic Manganese-Oxide-Based Anodes for Efficient Water Oxidation: Rapid Synthesis and In Situ Transmission Electron Microscopy Monitoring. ACS Catalysis, 11(5):2511-2523.
  - Klingler, Simon; Holland, Jason P (2021). Computational studies on the Carboni-Lindsey reaction. Computational and Theoretical Chemistry, 1197:113161.
  - Laroche, Alexandre; Bottone, Davide; Seeger, Stefan; Bonaccurso, Elmar (2021). Silicone nanofilaments grown on aircraft alloys for low ice adhesion. Surface and Coatings Technology, 410:126971.
  - Hassell‐Hart, Storm; Picaud, Sarah; Lengacher, Raphael; Csucker, Joshua; Millet, Regis; Gasser, Gilles; Alberto, Roger; Maple, Hannah; Felix, Robert; Leśnikowski, Zbigniew J; Stewart, Helen J S; Chevassut, Timothy J; Morley, Simon; Filippakopoulos, Panagis; Spencer, John (2021). Probing BRD Inhibition Substituent Effects in Bulky Analogues of (+)‐JQ1. Helvetica Chimica Acta, 104(3):e2000214.
  - Yang, Wooseok; Moehl, Thomas; Service, Erin; Tilley, S David (2021). Operando Analysis of Semiconductor Junctions in Multi‐Layered Photocathodes for Solar Water Splitting by Impedance Spectroscopy. Advanced Energy Materials, 11(9):2003569.
  - Tek, Gökçen; Hamm, Peter (2021). Transient CO desorption from thin Pt films induced by mid-IR pumping. Journal of Chemical Physics, 154(8):084706.
  - Genoux, Alexandre; Biedrzycki, Michał; Merino, Estíbaliz; Rivera‐Chao, Eva; Linden, Anthony; Nevado, Cristina (2021). Synthesis and Characterization of Bidentate (P^N)Gold(III) Fluoride Complexes: Reactivity Platforms for Reductive Elimination Studies. Angewandte Chemie Internationale Edition, 60(8):4164-4168.
  - Padrutt, Roxane; Babu, Vipin; Klingler, Simon; Kalt, Martina; Schumer, Frank; Anania, Maria I; Schneider, Lukas; Spingler, Bernhard (2021). Highly Phototoxic Transplatin‐Modified Distyryl‐BODIPY Photosensitizers for Photodynamic Therapy. ChemMedChem, 16(4):694-701.
  - Fukutani, Tomonori; Miyazawa, Kohei; Iwata, Satoru; Satoh, Hiroko (2021). G-RMSD: Root Mean Square Deviation Based Method for Three-dimensional Molecular Similarity Determination. The Chemical Society of Japan. Bulletin, 94(2):655-665.
  - Han, Ruocheng; Rodríguez-Mayorga, Mauricio; Luber, Sandra (2021). A Machine Learning Approach for MP2 Correlation Energies and Its Application to Organic Compounds. Journal of Chemical Theory and Computation, 17(2):777-790.
  - Cavender-Bares, Jeannine; Reich, Peter; Townsend, Philip; Banerjee, Arindam; Butler, Ethan; Desai, Ankur; Gevens, Amanda; Hobbie, Sarah; Isbell, Forest; Laliberté, Etienne; Meireles, José Eduardo; Menninger, Holly; Pavlick, Ryan; Pinto-Ledezma, Jesús; Potter, Caitlin; Schuman, Meredith; Springer, Nathan; Stefanski, Artur; Trivedi, Pankaj; Trowbridge, Amy; Williams, Laura; Willis, Charles; Yang, Ya (2021). BII-Implementation: The causes and consequences of plant biodiversity across scales in a rapidly changing world. Research Ideas and Outcomes: The Open Science Journal, 7:e63850.
  - Naef, Noah U; Seeger, Stefan (2021). Immobilization of Candida antarctica Lipase B on Silicone Nanofilaments. Journal of Nanomaterials, 2021:8812240.
  - Mlostoń, Grzegorz; Wreczycki, Jakub; Urbaniak, Katarzyna; Bielinski, Dariusz M; Heimgartner, Heinz (2021). The Fluoride Anion-Catalyzed Sulfurization of Thioketones with Elemental Sulfur Leading to Sulfur-Rich Heterocycles: First Sulfurization of Thiochalcones. Molecules, 26:822.
  - Earley, Daniel F; Guillou, Amaury; van der Born, Dion; Poot, Alex J; Holland, Jason P (2021). Microfluidic Preparation of 89Zr-Radiolabelled Proteins by Flow Photochemistry. Molecules, 26(3):764.
  - Mukiza, Janvier; Braband, Henrik; Bolliger, Robin; Blacque, Olivier; Alberto, Roger; Nkurunziza, Jean Baptiste (2021). A novel benzoylthiourea derivative with a triazinethione moiety: Synthesis and coordination with the organometallic fac-[Re(CO)3]+ core. Inorganica Chimica Acta, 516:120116.
  - Karges, Johannes; Xiong, Kai; Blacque, Olivier; Chao, Hui; Gasser, Gilles (2021). Highly cytotoxic copper(II) terpyridine complexes as anticancer drug candidates. Inorganica Chimica Acta, 516:120137.
  - Martin, Sebastian; Maus, Stephan; Stemler, Tobias; Rosar, Florian; Khreish, Fadi; Holland, Jason P; Ezziddin, Samer; Bartholomä, Mark D (2021). Proof-of-Concept Study of the NOTI Chelating Platform: Preclinical Evaluation of 64Cu-Labeled Mono- and Trimeric c(RGDfK) Conjugates. Molecular Imaging and Biology, 23(1):95-108.
  - Fernandez-Teran, Ricardo; Sévery, Laurent (2021). Living Long and Prosperous: Productive Intraligand Charge-Transfer States from a Rhenium(I) Terpyridine Photosensitizer with Enhanced Light Absorption. Inorganic Chemistry, 60(3):1334-1343.
  - Fernández-Terán, Ricardo J; Sévery, Laurent (2021). Coordination Environment Prevents Access to Intraligand Charge-Transfer States through Remote Substitution in Rhenium(I) Terpyridinedicarbonyl Complexes. Inorganic Chemistry, 60(3):1325-1333.
  - Ohno, Koichi; Kishimoto, Naoki; Iwamoto, Takeaki; Satoh, Hiroko; Watanabe, Hiromasa (2021). High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H5C2NO2. Journal of Computational Chemistry, 42(3):192-204.
  - Cun, Huanyao; Miao, Zichun; Hemmi, Adrian; Al-Hamdani, Yasmine; Iannuzzi, Marcella; Osterwalder, Jürg; Altman, Michael S; Greber, Thomas (2021). High-quality hexagonal boron nitride from 2D distillation. ACS Nano, 15(1):1351-1357.
  - Shalit, Andrey; Mousavi, Seyyed Jabbar; Hamm, Peter (2021). 2D Raman–THz Spectroscopy of Binary CHBr3–MeOH Solvent Mixture. Journal of Physical Chemistry B, 125(2):581-586.
  - Cuesta‐Galisteo, Sergio; Schörgenhumer, Johannes; Wei, Xiaofeng; Merino, Estíbaliz; Nevado, Cristina (2021). Nickel‐Catalyzed Asymmetric Synthesis of α‐Arylbenzamides. Angewandte Chemie Internationale Edition, 60(3):1605-1609.
  - Mattiat, Johann; Luber, Sandra (2021). Time Domain Simulation of (Resonance) Raman Spectra of Liquids in the Short Time Approximation. Journal of Chemical Theory and Computation, 17(1):344-356.
  - Kama, Dumisani V; Frei, Angelo; Schutte-Smith, Marietjie; Brink, Alice; Swart, Chantel; Braband, Henrik; Alberto, Roger; Roodt, Andreas (2021). Exploring preliminary structural relationships and mitochondrial targeting of fac-[MI(CO)3]-bis(diarylphosphino)alkylamine complexes (M = 99Tc, Re). New Journal of Chemistry, 45(47):22141-22149.
  - Kama, Dumisani V; Frei, Angelo; Brink, Alice; Braband, Henrik; Alberto, Roger; Roodt, Andreas (2021). New approach for the synthesis of water soluble fac-[MI(CO)3]+ bis(diarylphosphino)alkylamine complexes (M = 99Tc, Re). Dalton Transactions, 50(47):17506-17514.
  - Guda, Alexander; Windisch, Johannes; Probst, Benjamin; van Bokhoven, Jeroen A; Alberto, Roger; Nachtegaal, Maarten; Chen, Lin X; Smolentsev, Grigory (2021). Excited-state structure of copper phenanthroline-based photosensitizers. Physical Chemistry Chemical Physics (PCCP), 23(47):26729-26736.
  - Pullen, Sonja; Hegmans, Alexander; Hiller, Wolf G; Platzek, André; Freisinger, Eva; Lippert, Bernhard (2021). On the Heterogeneous Nature of Cisplatin‐1‐Methyluracil Complexes: Coexistence of Different Aggregation Modes and Partial Loss of NH 3 Ligands as Likely Explanation. ChemistryOpen, 10(1):28-45.
  - Yadav, Prerna; Zelder, Felix (2021). Detection of glyphosate with a copper(ii)-pyrocatechol violet based GlyPKit. Analytical Methods, 13(38):4354-4360.
  - Nandy, Swarnava; Wu, Qianbao; Tilley, S David; Cui, Chunhua (2021). Improved water oxidation with metal oxide catalysts via a regenerable and redox-inactive ZnOxHy overlayer. Chemical Communications, 57(79):10230-10233.
  - Lengacher, Raphael; Wang, Youchao; Braband, Henrik; Blacque, Olivier; Gasser, Gilles; Alberto, Roger (2021). Organometallic small molecule kinase inhibitors – direct incorporation of Re and 99mTc into Opaganib®. Chemical Communications, 57(98):13349-13352.
  - Ma, KeYuan; Lefèvre, Robin; Li, Qingtian; Lago, Jorge; Blacque, Olivier; Yang, Wanli; von Rohr, Fabian O (2021). Synthetic control over polymorph formation in the d-band semiconductor system FeS2. Chemical Science, 12(41):13870-13877.
  - Brenig, Christopher; Mosberger, Leila; Blacque, Olivier; Kissner, Reinhard; Zelder, Felix (2021). Reversible metal-centered reduction empowers a Ni-Corrin to mimic F430. Chemical Communications, 57(59):7260-7263.
  - 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.

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