Recent Publications

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- 2021
  - Yang, Yong; Blacque, Olivier; Sato, Sota; Juríček, Michal (2021). Cycloparaphenylene–Phenalenyl Radical and Its Dimeric Double Nanohoop. Angewandte Chemie Internationale Edition, 60(24):13529-13535.
  - Jankovic, Brankica; Ruf, Jeannette; Zanobini, Claudio; Bozovic, Olga; Buhrke, David; Hamm, Peter (2021). Sequence of Events during Peptide Unbinding from RNase S: A Complete Experimental Description. Journal of Physical Chemistry Letters, 12(21):5201-5207.
  - Sévery, Laurent; Szczerbiński, Jacek; Taskin, Mert; Tuncay, Isik; Brandalise Nunes, Fernanda; Cignarella, Chiara; Tocci, Gabriele; Blacque, Olivier; Osterwalder, Jürg; Zenobi, Renato; Iannuzzi, Marcella; Tilley, S David (2021). Immobilization of molecular catalysts on electrode surfaces using host–guest interactions. Nature Chemistry, 13(6):523-529.
  - Le, Ngoc An; Babu, Vipin; Kalt, Martina; Schneider, Lukas; Schumer, Frank; Spingler, Bernhard (2021). Photostable Platinated Bacteriochlorins as Potent Photodynamic Agents. Journal of Medicinal Chemistry, 64(10):6792-6801.
  - Yang, Wooseok; Zhang, Xi; Tilley, S David (2021). Emerging Binary Chalcogenide Light Absorbers: Material Specific Promises and Challenges. Chemistry of Materials, 33(10):3467-3489.
  - Le, Jia-Bo; Chen, Ao; Li, Lang; Xiong, Jing-Fang; Lan, Jinggang; Liu, Yun-Pei; Iannuzzi, Marcella; Cheng, Jun (2021). Modeling Electrified Pt(111)-Had/Water Interfaces from Ab Initio Molecular Dynamics. JACS Au, 1(5):569-577.
  - Bozovic, Olga; Ruf, Jeannette; Zanobini, Claudio; Jankovic, Brankica; Buhrke, David; Johnson, Philip J M; Hamm, Peter (2021). The Speed of Allosteric Signaling Within a Single-Domain Protein. Journal of Physical Chemistry Letters, 12(17):4262-4267.
  - Schabert, Günter; Haase, Robert; Parris, Jaclyn; Pala, Laura; Hery-Barranco, Adrian; Spingler, Bernhard; Spitz, Urs (2021). New Crystalline Salts of Nicotinamide Riboside as Food Additives. Molecules, 26(9):2729.
  - Malmberg, Robert; von Arx, Tobias; Hasan, Monirul; Blacque, Olivier; Shukla, Atul; McGregor, Sarah K M; Lo, Shih‐Chun; Namdas, Ebinazar B; Venkatesan, Koushik (2021). Tunable Light‐Emission Properties of Solution‐Processable N‐Heterocyclic Carbene Cyclometalated Gold(III) Complexes for Organic Light‐Emitting Diodes. Chemistry - A European Journal, 27(25):7265-7274.
  - Besmer, Manuel Luca; Braband, Henrik; Schneider, Sven; Spingler, Bernhard; Alberto, Roger (2021). Exploring the Coordination Chemistry of N2 with Technetium PNP Pincer-Type Complexes. Inorganic Chemistry, 60(9):6696-6701.
  - Kappenthuler, Steve; Seeger, Stefan (2021). Assessing the long-term potential of fiber reinforced polymer composites for sustainable marine construction. Journal of Ocean Engineering and Marine Energy, 7(2):129-144.
  - Linden, Anthony; Basu Baul, Tushar S (2021). Structural diversity among some dialkyltin(IV) benzoate and related derivatives. Acta Crystallographica. Section C: Structural Chemistry, 77(5):209-220.
  - Payandeh, SeyedHosein; Rentsch, Daniel; Łodziana, Zbigniew; Asakura, Ryo; Bigler, Laurent; Černý, Radovan; Battaglia, Corsin; Remhof, Arndt (2021). Nido‐Hydroborate‐Based Electrolytes for All‐Solid‐State Lithium Batteries. Advanced Functional Materials, 31(18):2010046.
  - Wilks, Regan G; Erbing, Axel; Sadoughi, Golnaz; Starr, David E; Handick, Evelyn; Meyer, Frank; Benkert, Andreas; Iannuzzi, Marcella; et al (2021). Dynamic Effects and Hydrogen Bonding in Mixed-Halide Perovskite Solar Cell Absorbers. Journal of Physical Chemistry Letters, 12(16):3885-3890.
  - Mlostoń, Grzegorz; Urbaniak, Katarzyna; Sobiecka, Malwina; Heimgartner, Heinz; Würthwein, Ernst-Ulrich; Zimmer, Reinhold; Lentz, Dieter; Reissig, Hans-Ulrich (2021). Hetero-Diels-Alder Reactions of In Situ-Generated Azoalkenes with Thioketones; Experimental and Theoretical Studies. Molecules, 26:2544.
  - Martin, Sebastian; Tönnesmann, Roswitha; Hierlmeier, Ina; Maus, Stephan; Rosar, Florian; Ruf, Juri; Holland, Jason P; Ezziddin, Samer; Bartholomä, Mark D (2021). Identification, Characterization, and Suppression of Side Products Formed during the Synthesis of [177Lu]Lu-PSMA-617. Journal of Medicinal Chemistry, 64(8):4960-4971.
  - Schnell, Simon D; Schilling, Mauro; Sklyaruk, Jan; Linden, Anthony; Luber, Sandra; Gademann, Karl (2021). Nucleophilic Attack on Nitrogen in Tetrazines by Silyl-Enol Ethers. Organic Letters, 23(7):2426-2430.
  - 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.
  - 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.
  - 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.
  - 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.
  - 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.
  - 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.

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