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Publications
Results: 1905
Yue Fu, Heyu Chen, Wenzhen Fu, Marc Garcia-Borràs, Yang Yang, Peng Liu
Engineered P450 Atom-Transfer Radical Cyclases are Bifunctional Biocatalysts: Reaction Mechanism and Origin of Enantioselectivity
J. Am. Chem. Soc., 2022, 144, 13344-13355
DOI: 10.1021/jacs.2c04937OpenAccess: –Keywords: Catalysis, Computational chemistry, Confined space, Enzyme design, Metalloproteins
Jordi Soler, Sebastian Gergel, Cindy Klaus, StephanC. Hammer, Marc Garcia-Borràs
Enzymatic Control over Reactive Intermediates Enables Direct Oxidation of Alkenes to Carbonyls by a P450 Iron-Oxo Species
J. Am. Chem. Soc., 2022, 144, 15954-15968
DOI: 10.1021/jacs.2c02567OpenAccess: LinkKeywords: Catalysis, Computational chemistry, Confined space, Enzyme design, Metalloproteins
Tong Wu, Khashayar Rajabimoghadam, Ankita Puri, DavidD. Hebert, YiLin Qiu, Sidney Eichelberger, MaximeA. Siegler, Marcel Swart, MichaelP. Hendrich, Isaac Garcia-Bosch
A 4H+ /4e– Electron-Coupled-Proton Buffer Based on a Mononuclear Cu Complex
J. Am. Chem. Soc., 2022, 144, 16905-16915
DOI: 10.1021/jacs.2c05454OpenAccess: LinkKeywords: Catalysis, Computational chemistry, Oxidation, Reaction mechanisms, Homogeneous catalysis
Arnau Call, Marco Cianfanelli, Pau Besalú-Sala, Giorgio Olivo, Andrea Palone, Laia Vicens, Xavi Ribas, JosepM. Luis, Massimo Bietti, Miquel Costas
Carboxylic Acid Directed γ-Lactonization of Unactivated Primary C–H Bonds Catalyzed by Mn Complexes: Application to Stereoselective Natural Product Diversification
J. Am. Chem. Soc., 2022, 144, 19542-19558
DOI: 10.1021/jacs.2c08620OpenAccess: LinkKeywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis
Carla Calvó-Tusell, Miguel A. Maria-Solano, Sílvia Osuna, Ferran Feixas
Time Evolution of the Millisecond Allosteric Activation of Imidazole Glycerol Phosphate Synthase
J. Am. Chem. Soc., 2022, 144, 7146-7159
DOI: 10.1021/jacs.1c12629OpenAccess: LinkKeywords: Molecular Dynamics, Biocatalysis, Non-covalent interactions
Marco Galeotti, Laia Vicens, Michela Salamone, Miquel Costas, Massimo Bietti
Resolving Oxygenation Pathways in Manganese-Catalyzed C(sp3 )–H Functionalization via Radical and Cationic Intermediates
J. Am. Chem. Soc., 2022, 144, 7391-7401
DOI: 10.1021/jacs.2c01466OpenAccess: LinkKeywords: High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis
Junkai Liu, Haoke Zhang, Lianrui Hu, Jun Wang, Jacky W.Y. Lam, Lluís Blancafort, BenZhong Tang
Through-Space Interaction of Tetraphenylethylene: What, Where, and How
J. Am. Chem. Soc., 2022, 144, 7901-7910
DOI: 10.1021/jacs.2c02381OpenAccess: –Keywords: Excited states
Zhen Liu, Zi-Yang Qin, Ledong Zhu, Soumitra V. Athavale, Arkajyoti Sengupta, Zhi-Jun Jia, Marc Garcia-Borràs, K.N. Houk, FrancesH. Arnold
An Enzymatic Platform for Primary Amination of 1-Aryl-2-alkyl Alkynes
J. Am. Chem. Soc., 2022, 144, 80-85
DOI: 10.1021/jacs.1c11340OpenAccess: –Keywords: Enzyme design, Metalloproteins
Ouissam El Bakouri, Dariusz W. Szczepanik, Kjell Jorner, Rabia Ayub, Patrick Bultinck, Miquel Solà, Henrik Ottosson
Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D?
J. Am. Chem. Soc., 2022, 144, 8560-8576
DOI: 10.1021/jacs.1c13478OpenAccess: –Keywords: Aromaticity, Chemical bonding, Fullerenes, Nanocages
Annette Grünwald, Bhupendra Goswami, Kevin Breitwieser, Bernd Morgenstern, Martí Gimferrer, Frank W. Heinemann, Dajana M. Momper, Christopher W.M. Kay, Dominik Munz
Palladium Terminal Imido Complexes with Nitrene Character
J. Am. Chem. Soc., 2022, 144, 8897-8901
DOI: 10.1021/jacs.2c02818OpenAccess: –Keywords: Catalysis, Chemical bonding, Density Functional Theory, Real-space analysis, Spectroscopy