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Publications
Results: 334
Miquel Costas, Anna Company
Oxidative C−F Cleavage in Metalloenzymes and Model Compounds
Eur. J. Inorg. Chem., 2022, 2022, e202100754
DOI: 10.1002/ejic.202100754Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis
Ernesto Rufino-Felipe, Hugo Valdés, David Morales-Morales
C−S Cross‐Coupling Reactions Catalyzed by Well‐Defined Copper and Nickel Complexes
European J Organic Chem, 2022, 2022, e202200654
DOI: 10.1002/ejoc.202200654Keywords: Catalysis, Cross-coupling reactions, Organometallics
A. Vidal-López, S. Posada-Pérez, M. Solà, Poater A, V. D’ Elia
The importance of the bite angle of Metal(III) salen catalysts in the sequestration of CO2 with epoxides in mild conditions
GreenChE, 2022, 3, 180-187
DOI: 10.1016/j.gce.2021.12.010Keywords: Catalysis, Chemical bonding, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis
Lorena Capdevila, Marc Montilla, Oriol Planas, Artur Brotons, Pedro Salvador, Vlad Martin-Diaconescu, Teodor Parella, JosepM. Luis, Xavi Ribas
Csp2 –H Amination Reactions Mediated by Metastable Pseudo-O Masked Aryl-CoIII -nitrene Species
Inorg. Chem., 2022, 61, 14075-14085
DOI: 10.1021/acs.inorgchem.2c02111Keywords: Catalysis, Density Functional Theory, Organometallics, Reaction mechanisms, Spectroscopy
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.2c04937Keywords: 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.2c02567Keywords: 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.2c05454Keywords: 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.2c08620Keywords: 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.1c12629Keywords: 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.2c01466Keywords: High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis