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Scaccaglia, Mirco; Birbaumer, Michael P; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo (2024). Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry. Chemical Science, 15(11), pp. 3907-3919. The Royal Society of Chemistry 10.1039/d3sc05326a
Stroek, Wowa; Albrecht, Martin (2023). Discovery of a simple iron catalyst reveals the intimate steps of C-H amination to form C-N bonds. Chemical Science, 14(11), pp. 2849-2859. The Royal Society of Chemistry 10.1039/d2sc04170g
Burmeister, David; Eljarrat, Alberto; Guerrini, Michele; Röck, Eva; Plaickner, Julian; Koch, Christoph T.; Banerji, Natalie; Cocchi, Caterina; List-Kratochvil, Emil J. W.; Bojdys, Michael J. (2023). On the non-bonding valence band and the electronic properties of poly(triazine imide), a graphitic carbon nitride. Chemical Science, 14(23), pp. 6269-6277. The Royal Society of Chemistry 10.1039/d3sc00667k
Hong, Wenjing; Zhang, Hewei; Zhou, Ping; Daaoub, Abdul; Sangtarash, Sara; Zhao, Shiqiang; Yang, Zixian; Zhou, Yu; Zou, Yuling; Decurtins, Silvio; Häner, Robert; Yang, Yang; Sadeghi, Hatef; Liu, Shi-Xia (2023). Atomically Well-defined Nitrogen Doping in the Cross-plane Transport through Graphene Heterojunctions. Chemical Science, 14(22), pp. 6079-6086. The Royal Society of Chemistry 10.1039/D3SC00075C
Kreutter, David; Reymond, Jean-Louis (2023). Multistep retrosynthesis combining a disconnection aware triple transformer loop with a route penalty score guided tree search. Chemical Science, 14(36), pp. 9959-9969. The Royal Society of Chemistry 10.1039/d3sc01604h
Liu, Shi-Xia; Zhou, Ping; Nazari Haghighi Pashaki, Maryam; Frey, Hans-Martin; Hauser, Andreas; Decurtins, Silvio; Cannizzo, Andrea; Feurer, Thomas; Häner, Robert; Aschauer, Ulrich (2023). Photoinduced Asymmetric Charge Trapping in a Symmetric Tetraazapyrene-Fused Bis(tetrathiafulvalene) Conjugate. Chemical Science, 14(44), pp. 12715-12722. The Royal Society of Chemistry 10.1039/D3SC03184E
Judge, Neil R.; Logallo, Alessandra; Hevia, Eva (2023). Main group metal-mediated strategies for C–H and C–F bond activation and functionalisation of fluoroarenes. Chemical Science, 14(42), pp. 11617-11628. Royal Society of Chemistry 10.1039/D3SC03548D
Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N.; García-Melchor, Max; Hevia, Eva (2023). Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH 2 SiMe 3 ) 3 : unlocking polybasic behaviour and competing lateral borane sodiation. Chemical Science, 14(24), pp. 6538-6545. Royal Society of Chemistry 10.1039/D3SC01705B
Gazzi, Thais; Brennecke, Benjamin; Atz, Kenneth; Korn, Claudia; Sykes, David; Forn-Cuni, Gabriel; Pfaff, Patrick; Sarott, Roman C; Westphal, Matthias V; Mostinski, Yelena; Mach, Leonard; Wasinska-Kalwa, Malgorzata; Weise, Marie; Hoare, Bradley L; Miljuš, Tamara; Mexi, Maira; Roth, Nicolas; Koers, Eline J; Guba, Wolfgang; Alker, André; ... (2022). Detection of cannabinoid receptor type 2 in native cells and zebrafish with a highly potent, cell-permeable fluorescent probe. Chemical Science, 13(19), pp. 5539-5545. The Royal Society of Chemistry 10.1039/d1sc06659e
Hart, Stephanie M.; Banal, James L.; Castellanos, Maria A.; Markova, Larysa; Vyborna, Yuliia; Gorman, Jeffrey; Häner, Robert; Willard, Adam P.; Bathe, Mark; Schlau-Cohen, Gabriela S. (2022). Activating charge-transfer state formation in strongly-coupled dimers using DNA scaffolds. Chemical Science, 13(44), pp. 13020-13031. The Royal Society of Chemistry 10.1039/D2SC02759C
Zhu, Di; Johannsen, Sandra; Masini, Tiziana; Simonin, Céline; Haupenthal, Jörg; Illarionov, Boris; Andreas, Anastasia; Awale, Mahendra; Gierse, Robin M; van der Laan, Tridia; van der Vlag, Ramon; Nasti, Rita; Poizat, Mael; Buhler, Eric; Reiling, Norbert; Müller, Rolf; Fischer, Markus; Reymond, Jean-Louis; Hirsch, Anna K H (2022). Discovery of novel drug-like antitubercular hits targeting the MEP pathway enzyme DXPS by strategic application of ligand-based virtual screening. Chemical Science, 13(36), pp. 10686-10698. The Royal Society of Chemistry 10.1039/d2sc02371g
Bagger, Alexander; Jensen, Kim D; Rashedi, Maryam; Luo, Rui; Du, Jia; Zhang, Damin; Pereira, Inês J; Escudero-Escribano, María; Arenz, Matthias; Rossmeisl, Jan (2022). Correlations between experiments and simulations for formic acid oxidation. Chemical Science, 13(45), pp. 13409-13417. The Royal Society of Chemistry 10.1039/d2sc05160e
Somerville, Rosie J.; Borys, Andryj M.; Perez-Jimenez, Marina; Nova, Ainara; Balcells, David; Malaspina, Lorraine A.; Grabowsky, Simon; Carmona, Ernesto; Hevia, Eva; Campos, Jesús (2022). Unmasking the constitution and bonding of the proposed lithium nickelate “Li 3 NiPh 3 (solv) 3 ”: revealing the hidden C 6 H 4 ligand. Chemical Science, 13(18), pp. 5268-5276. The Royal Society of Chemistry 10.1039/d2sc01244h
Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon (2021). Accurate crystal structures and chemical properties from NoSpherA2. Chemical Science, 12(5), pp. 1675-1692. The Royal Society of Chemistry 10.1039/d0sc05526c
Mateo, Luis M.; Sun, Qiang; Eimre, Kristjan; Pignedoli, Carlo A.; Torres, Tomas; Fasel, Roman; Bottari, Giovanni (2021). On-surface synthesis of singly and doubly porphyrin-capped graphene nanoribbon segments. Chemical Science, 12(1), pp. 247-252. The Royal Society of Chemistry 10.1039/D0SC04316H
Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe (2021). A Giese reaction for electron-rich alkenes. Chemical Science, 12(6), pp. 2225-2230. The Royal Society of Chemistry 10.1039/d0sc06341j
Thakkar, Amol; Chadimová, Veronika; Bjerrum, Esben Jannik; Engkvist, Ola; Reymond, Jean-Louis (2021). Retrosynthetic accessibility score (RAscore) – rapid machine learned synthesizability classification from AI driven retrosynthetic planning. Chemical Science, 12(9), pp. 3339-3349. The Royal Society of Chemistry 10.1039/D0SC05401A
Kreutter, David; Schwaller, Philippe; Reymond, Jean-Louis (2021). Predicting enzymatic reactions with a molecular transformer. Chemical Science, 12(25), pp. 8648-8659. The Royal Society of Chemistry 10.1039/D1SC02362D
Capecchi, Alice; Cai, Xingguang; Personne, Hippolyte; Köhler, Thilo; van Delden, Christian; Reymond, Jean-Louis (2021). Machine learning designs non-hemolytic antimicrobial peptides. Chemical Science, 12(26), pp. 9221-9232. The Royal Society of Chemistry 10.1039/D1SC01713F
Gil-Negrete, Josep M.; Hevia, Eva (2021). Main group bimetallic partnerships for cooperative catalysis. Chemical Science, 12(6), pp. 1982-1992. The Royal Society of Chemistry 10.1039/D0SC05116K
Cirera, Borja; Riss, Alexander; Mutombo, Pingo; Urgel, José I.; Santos, José; Di Giovannantonio, Marco; Widmer, Roland; Stolz, Samuel; Sun, Qiang; Bommert, Max; Fasel, Roman; Jelínek, Pavel; Auwärter, Willi; Martín, Nazario; Écija, David (2021). On-surface synthesis of organocopper metallacycles through activation of inner diacetylene moieties. Chemical Science, 12(38), pp. 12806-12811. The Royal Society of Chemistry 10.1039/D1SC03703J
Thakkar, Amol; Kogej, Thierry; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben Jannik (2020). Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain. Chemical Science, 11(1), pp. 154-168. The Royal Society of Chemistry 10.1039/C9SC04944D
Fitzner, Martin; Wuitschik, Georg; Koller, Raffael J.; Adam, Jean-Michel; Schindler, Torsten; Reymond, Jean-Louis (2020). What can reaction databases teach us about Buchwald–Hartwig cross-couplings? Chemical Science, 11(48), pp. 13085-13093. The Royal Society of Chemistry 10.1039/d0sc04074f
Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E. (2020). A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity. Chemical Science, 11(25), pp. 6510-6520. Royal Society of Chemistry 10.1039/D0SC01612H
Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T.; García-Alvarez, Joaquín; Hevia, Eva (2020). Ultrafast Amidation of Esters using Lithium Amides under Aerobic Ambient Temperature Conditions in Sustainable Solvents. Chemical Science, 11(25), pp. 6500-6509. The Royal Society of Chemistry 10.1039/D0SC01349H
Planchestainer, Matteo; Hegarty, Eimear; Heckmann, Christian M.; Gourlay, Louise J.; Paradisi, Francesca (2019). Widely applicable background depletion step enables transaminase evolution through solid-phase screening. Chemical Science, 10(23), pp. 5952-5958. The Royal Society of Chemistry 10.1039/C8SC05712E
Di Bonaventura, Ivan; Jin, Xian; Visini, Ricardo; Probst, Daniel; Javor, Sacha; Gan, Bee-Ha; Michaud, Gaëlle; Natalello, Antonino; Doglia, Silvia Maria; Köhler, Thilo; van Delden, Christian; Stocker, Achim; Darbre, Tamis; Reymond, Jean-Louis (2017). Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms. Chemical Science, 8(10), pp. 6784-6798. The Royal Society of Chemistry 10.1039/C7SC01314K
He, Runze; Di Bonaventura, Ivan; Visini, Ricardo; Gan, Bee-Ha; Fu, Yongchun; Probst, Daniel; Lüscher, Alexandre; Köhler, Thilo; van Delden, Christian; Stocker, Achim; Hong, Wenjing; Darbre, Tamis; Reymond, Jean-Louis (2017). Design, crystal structure and atomic force microscopy study of thioether ligated d , l -cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa. Chemical Science, 8(11), pp. 7464-7475. The Royal Society of Chemistry 10.1039/C7SC01599B
Grabowsky, Simon; Genoni, Alessandro; Bürgi, Hans-Beat (2017). Quantum crystallography. Chemical Science, 8(6), pp. 4159-4176. The Royal Society of Chemistry 10.1039/c6sc05504d
Michaud, Gaëlle; Visini, Ricardo; Bergman, Manfred Max; Salerno, Gianluca; Bosco, Rosa; Gillon, Emilie; Richichi, Barbara; Nativi, Cristina; Imberty, Anne; Stocker, Achim; Darbre, Tamis; Reymond, Jean-Louis (2016). Overcoming antibiotic resistance in Pseudomonas aeruginosa biofilms using glycopeptide dendrimers. Chemical Science, 7(1), pp. 166-182. The Royal Society of Chemistry 10.1039/c5sc03635f
Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Di Bonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis (2015). Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability. Chemical Science, 6(10), pp. 5473-5490. The Royal Society of Chemistry 10.1039/C5SC01699A
Ottiger, Philipp; Köppel, Horst; Leutwyler, Samuel (2015). Excitonic splittings in molecular dimers: why static ab initio calculations cannot match them. Chemical Science, 6(11), pp. 6059-6068. The Royal Society of Chemistry 10.1039/c5sc02546j
Khorev, Oleg; Bösch, Caroline; Probst, Markus; Häner, Robert (2014). Observation of the rare chrysene excimer. Chemical Science, 5(4), pp. 1506-1512. The Royal Society of Chemistry 10.1039/C3SC53316F
