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- 2021
  - Sauser, Luca; Mohammed, Tagwa A; Kalvoda, Tadeáš; Feng, Sheng-Jan; Spingler, Bernhard; Rulíšek, Lubomír; Shoshan, Michal S (2021). Thiolation and Carboxylation of Glutathione Synergistically Enhance Its Lead-Detoxification Capabilities. Inorganic Chemistry, 60(24):18620-18624.
  - Shchelik, Inga S; Gademann, Karl (2021). Thiol- and Disulfide-Containing Vancomycin Derivatives Against Bacterial Resistance and Biofilm Formation. ACS Medicinal Chemistry Letters, 12(12):1898-1904.
  - Creazzo, Fabrizio; Luber, Sandra (2021). Water‐Assisted Chemical Route Towards the Oxygen Evolution Reaction at the Hydrated (110) Ruthenium Oxide Surface: heterogeneous catalysis via DFT‐MD & metadynamics simulations. Chemistry - A European Journal, 27(68):17024-17037.
  - Li, Chengxi; Callahan, Alex J; Simon, Mark D; Totaro, Kyle A; Mijalis, Alexander J; Phadke, Kruttika-Suhas; Zhang, Genwei; Hartrampf, Nina; Schissel, Carly K; Zhou, Ming; Zong, Hong; Hanson, Gunnar J; Loas, Andrei; Pohl, Nicola L B; Verhoeven, David E; Pentelute, Bradley L (2021). Fully automated fast-flow synthesis of antisense phosphorodiamidate morpholino oligomers. Nature Communications, 12:4396.
  - Wan, Wenchao; Zhao, Yonggui; Wei, Shiqian; Triana, Carlos A; Li, Jingguo; Arcifa, Andrea; Allen, Christopher S; Cao, Rui; Patzke, Greta R (2021). Mechanistic insight into the active centers of single/dual-atom Ni/Fe-based oxygen electrocatalysts. Nature Communications, 12:5589.
  - Li, Jingguo; Wan, Wenchao; Triana, Carlos A; Chen, Hang; Zhao, Yonggui; Mavrokefalos, Christos K; Patzke, Greta R (2021). Reaction kinetics and interplay of two different surface states on hematite photoanodes for water oxidation. Nature Communications, 12:255.
  - Mattiat, Johann; Luber, Sandra (2021). Recent Progress in the Simulation of Chiral Systems with Real Time Propagation Methods. Helvetica Chimica Acta, 104(12):e2100154.
  - Shchelik, Inga S; Molino, João V D; Gademann, Karl (2021). Biohybrid microswimmers against bacterial infections. Acta Biomaterialia, 136:99-110.
  - Buhrke, David; Ruf, Jeannette; Heckmeier, Philipp; Hamm, Peter (2021). A stop-flow sample delivery system for transient spectroscopy. Review of Scientific Instruments, 92(12):123001.
  - Georgiou, Antri; Sieber, Simon; Hsiao, Chien-Chi; Grayfer, Tatyana; Gorenflos López, Jacob L; Gademann, Karl; Eberl, Leo; Bailly, Aurélien (2021). Leaf nodule endosymbiotic Burkholderia confer targeted allelopathy to their Psychotria hosts. Scientific Reports, 11:22465.
  - Guan, Pingyin; Zhou, Jianning; Girel, Sergey; Zhu, Xin; Schwab, Marian; Zhang, Kunxi; Wang‐Müller, Qiyan; Bigler, Laurent; Nick, Peter (2021). Anti‐microtubule activity of the traditional Chinese medicine herb Northern Ban Lan ( Isatis tinctoria ) leads to glucobrassicin. Journal of integrative plant biology, 63(12):2058-2074.
  - Lan, Jinggang; Kapil, Venkat; Gasparotto, Piero; Ceriotti, Michele; Iannuzzi, Marcella; Rybkin, Vladimir V (2021). Simulating the ghost: quantum dynamics of the solvated electron. Nature Communications, 12:766.
  - Savchenko, Viktoriia; Brumboiu, Iulia Emilia; Kimberg, Victor; Odelius, Michael; Krasnov, Pavel; et al; Iannuzzi, Marcella (2021). Vibrational resonant inelastic X-ray scattering in liquid acetic acid: a ruler for molecular chain lengths. Scientific Reports, 11:4098.
  - Bottone, Davide; Donadei, Valentina; Niemelä, Henna; Koivuluoto, Heli; Seeger, Stefan (2021). Coral-like silicone nanofilament coatings with extremely low ice adhesion. Scientific Reports, 11:20427.
  - Creazzo, Fabrizio; Luber, Sandra (2021). Explicit solvent effects on (1 1 0) ruthenium oxide surface wettability: Structural, electronic and mechanical properties of rutile RuO2 by means of spin-polarized DFT-MD. Applied Surface Science, 570:150993.
  - Nicholson, Christopher W; Rumo, Maxime; Pulkkinen, Aki; Kremer, Geoffroy; Salzmann, Björn; Mottas, Marie-Laure; Hildebrand, Baptiste; Jaouen, Thomas; Kim, Timur K; Mukherjee, Saumya; Ma, KeYuan; Muntwiler, Matthias; von Rohr, Fabian O; Cacho, Cephise; Monney, Claude (2021). Uniaxial strain-induced phase transition in the 2D topological semimetal IrTe2. Communications Materials, 2:25.
  - Alzeer, Jawad; Abou Hadeed, Khaled; Basar, Hayriye; Al-Razem, Fawzi; Abdel-Wahhab, Mosaad A; Alhamdan, Yousef (2021). Cannabis and Its Permissibility Status. Cannabis and Cannabinoid Research, 6(6):451-456.
  - Glasauer, Stella M K; Triemer, Therese; Neef, Anne B; Neuhauss, Stephan C F; Luedtke, Nathan W (2021). DNA template strand segregation in developing zebrafish. Cell Chemical Biology, 28(11):1638-1647.e4.
  - Duchi, Marta; Shukla, Saurabh; Shalit, Andrey; Hamm, Peter (2021). 2D-Raman-THz Spectroscopy with Single-Shot THz Detection. Journal of Chemical Physics, 155(17):174201.
  - Steffen, Fabio D; Sigel, Roland K O; Börner, Richard (2021). FRETraj: integrating single-molecule spectroscopy with molecular dynamics. Bioinformatics, 37(21):3953-3955.
  - Fenner, Kathrin; Scheringer, Martin (2021). The Need for Chemical Simplification As a Logical Consequence of Ever-Increasing Chemical Pollution. Environmental Science & Technology, 55(21):14470-14472.
  - Zhang, Peikun; Wang, Pai; Wang, Wei; Wu, Qianbao; Xiao, Mengjun; Alberto, Roger; Zhang, Yanning; Cui, Chunhua (2021). Efficient Alkaline Water Oxidation with a Regenerable Nickel Pseudo-Complex. ACS applied materials & interfaces, 13(41):48661-48668.
  - Al-Mutairi, Aamal A; Alagappan, Kowsalya; Blacque, Olivier; Al-Alshaikh, Monirah A; El-Emam, Ali A; Percino, M Judith; Thamotharan, Subbiah (2021). Crystallographic and Theoretical Exploration of Weak Hydrogen Bonds in Arylmethyl N′-(adamantan-1-yl)piperidine-1-carbothioimidates and Molecular Docking Analysis. ACS Omega, 6(41):27026-27037.
  - Malmberg, Robert; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik (2021). Monocyclometalated (C N) Gold(III) Metallacycles: Tunable Emission and Singlet Oxygen (1O2) Generation Properties. Chemistry - A European Journal, 27(58):14410-14417.
  - Yang, Yong; Huangfu, Shangxiong; Sato, Sota; Juricek, Michal (2021). Cycloparaphenylene Double Nanohoop: Structure, Lamellar Packing, and Encapsulation of C60 in the Solid State. Organic Letters, 23(20):7943-7948.
  - Pauletti, Michela; Rybkin, Vladimir V; Iannuzzi, Marcella (2021). Subsystem Density Functional Theory Augmented by a Delta Learning Approach to Achieve Kohn–Sham Accuracy. Journal of Chemical Theory and Computation, 17(10):6423-6431.
  - Schreder, Lukas; Luber, Sandra (2021). Local approaches for electric dipole moments in periodic systems and their application to real-time time-dependent density functional theory. Journal of Chemical Physics, 155(13):134116.
  - Rudbari, Hadi Amiri; Saadati, Arezoo; Aryaeifar, Mahnaz; Correia, Isabel; Marques, Fernanda; Blacque, Olivier; Micale, Nicola (2021). Cytotoxic oxidovanadium(IV) complexes of tridentate halogen‐substituted Schiff bases: First dinuclear V(IV) complexes with O → VIV = O → VIV = O core. Bioorganic & Medicinal Chemistry Letters, 49:128285.
  - Podvalnyy, Nikita M; Chesnov, Serge; Nanni, Paolo; Gut, Melanie; Holland, Jason P; Hennet, Thierry (2021). Synthesis of photoactivable oligosaccharide derivatives from 1,2-cyclic carbamate building blocks and study of their interaction with carbohydrate-binding proteins. Carbohydrate research, 508:108399.
  - Gouda, Laxman; Sévery, Laurent; Moehl, Thomas; Mas-Marzá, Elena; Adams, Pardis; Fabregat-Santiago, Francisco; Tilley, David (2021). Tuning the selectivity of biomass oxidation over oxygen evolution on NiO–OH electrodes. Green Chemistry, 23(20):8061-8068.
  - Joly, Laurent; Meißner, Robert H; Iannuzzi, Marcella; Tocci, Gabriele (2021). Osmotic Transport at the Aqueous Graphene and hBN Interfaces: Scaling Laws from a Unified, First-Principles Description. ACS Nano, 15(9):15249-15258.
  - Alexander, Orbett T; Alberto, Roger; Roodt, Andreas (2021). The crystal structure of cis-diaqua-bis (N-butyl-N-(pyridin-2-yl)pyridin-2-amine-κ2N,N′)cobalt(II)] dichloride trihydrate, C28H44Cl2N6O5Co. Zeitschrift für Kristallographie - New Crystal Structures, 236(5):1065-1068.
  - Irziqat, Bahaaeddin; Cebrat, Aleksandra; Baljozović, Miloš; Martin, Kévin; Parschau, Manfred; Avarvari, Narcis; Ernst, Karl‐Heinz (2021). Stereospecific on-Surface Cyclodehydrogenation of Bishelicenes: Preservation of Handedness from Helical to Planar Chirality. Chemistry - A European Journal, 27(54):13523-13526.
  - Reith, Lukas; Triana, Carlos A; Pazoki, Faezeh; Amiri, Mehran; Nyman, May; Patzke, Greta R (2021). Unraveling Nanoscale Cobalt Oxide Catalysts for the Oxygen Evolution Reaction: Maximum Performance, Minimum Effort. Journal of the American Chemical Society, 143(37):15022-15038.
  - Zhang, Xi; Yang, Wooseok; Niu, Wenzhe; Adams, Pardis; Siol, Sebastian; Wang, Zhenbin; Tilley, S David (2021). Thiol-Amine-Based Solution Processing of Cu2S Thin Films for Photoelectrochemical Water Splitting. ChemSusChem, 14(18):3967-3974.
  - Reinholdt, Peter; Vidal, Marta L; Kongsted, Jacob; Iannuzzi, Marcella; Coriani, Sonia; Odelius, Michael (2021). Nitrogen K-Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods. Journal of Physical Chemistry Letters, 12(36):8865-8871.
  - Chesnokov, Gleb A; Gademann, Karl (2021). Concise Total Synthesis of Peyssonnoside A. Journal of the American Chemical Society, 143(35):14083-14088.
  - Ma, KeYuan; Gornicka, Karolina; Lefèvre, Robin; Yang, Yikai; Rønnow, Henrik M; Jeschke, Harald O; Klimczuk, Tomasz; Von Rohr, Fabian O (2021). Superconductivity with High Upper Critical Field in the Cubic Centrosymmetric $\eta$-Carbide $Nb_4Rh_2C_{1−\sigma}$. ACS Materials Au, 1(1):55-61.
  - Fenner, Kathrin; Men, Yujie (2021). Comment on “Role of Ammonia Oxidation in Organic Micropollutant Transformation during Wastewater Treatment”: Overlooked Evidence to the Contrary. Environmental Science & Technology, 55(17):12128-12129.
  - Schnell, Simon D; González, Jorge A; Sklyaruk, Jan; Linden, Anthony; Gademann, Karl (2021). Boron Trifluoride-Mediated Cycloaddition of 3-Bromotetrazine and Silyl Enol Ethers: Synthesis of 3-Bromo-pyridazines. Journal of Organic Chemistry, 86(17):12008-12023.
  - Lamb, Jennifer; Šimaitis, Joris; Halukeerthi, Siriney O; Salzmann, Christoph G; Holland, Jason P (2021). Graphene Nanoflake Antibody Conjugates for Multimodal Imaging of Tumors. Advanced NanoBiomed Research, 1(9):2100009.
  - Toklo, Placide M; Yayi Ladekan, Eléonore; Linden, Anthony; Hounzangbe-Adote, Sylvie; Kouam, Siméon F; Gbenou, Joachim D (2021). Anthelmintic flavonoids and other compounds from Combretum glutinosum Perr. ex DC (Combretaceae) leaves. Acta Crystallographica. Section C: Structural Chemistry, 77(9):505-512.
  - Walicka, Dorota I; Guguchia, Zurab; Lago, Jorge; Blacque, Olivier; Ma, KeYuan; Liu, Huanlong; Khasanov, Rustem; von Rohr, Fabian O (2021). Two-gap to single-gap superconducting transition on a honeycomb lattice in Ca1−xSrxAlSi. Physical Review Research, 3:033192.
  - de Roo, Jonathan; Hartrampf, Nina; Merz, Leo (2021). The Young Faculty Meeting 2021 – A Focus on Group Management. CHIMIA International Journal for Chemistry, 75(7):692-694.
  - Pandiarajan, Devaraj; Fox, Thomas; Spingler, Bernhard (2021). An N4-Tetradentate Hydrazone Ligand That Binds in a Neutral, Mono- and Bisdeprotonated Form to Iron(II) and Zinc(II) Metal Ions. Crystals, 11(8):982.
  - Li, Jingguo; Chen, Hang; Triana, Carlos A; Patzke, Greta R (2021). Hematite Photoanodes for Water Oxidation: Electronic Transitions, Carrier Dynamics, and Surface Energetics. Angewandte Chemie Internationale Edition, 60(34):18380-18396.
  - Hübner, Uwe; Wolff, David; Achermann, Stefan; Drewes, Jörg E; Wick, Arne; Fenner, Kathrin (2021). Analyzing (Initial) Biotransformation Reactions as an Organizing Principle for Unraveling the Extent of Trace Organic Chemical Biotransformation in Biofiltration Systems. Environmental science & technology letters, 1(8):1921-1931.
  - Hoff, Lukas V; Schnell, Simon D; Tomio, Andrea; Linden, Anthony; Gademann, Karl (2021). Cross-Coupling Reactions of Monosubstituted Tetrazines. Organic Letters, 23(15):5689-5692.
  - Gerhardy, Stefan; Oborská-Oplová, Michaela; Gillet, Ludovic; Börner, Richard; van Nues, Rob; Leitner, Alexander; Michel, Erich; Petkowski, Janusz J; Granneman, Sander; Sigel, Roland K O; Aebersold, Ruedi; Panse, Vikram Govind (2021). Puf6 primes 60S pre-ribosome nuclear export at low temperature. Nature Communications, 12:4696.
  - Braband, Henrik; Benz, Michael; Spingler, Bernhard; Conradie, Jeanet; Alberto, Roger; Ghosh, Abhik (2021). Relativity as a Synthesis Design Principle: A Comparative Study of [3 + 2] Cycloaddition of Technetium(VII) and Rhenium(VII) Trioxo Complexes with Olefins. Inorganic Chemistry, 60(15):11090-11097.

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