Results: 348
Michele Tomasini, Josep Duran, Sílvia Simon, LuisMiguel Azofra, Albert Poater
Towards mild conditions by predictive catalysis via sterics in the Ru-catalyzed hydrogenation of thioesters
Mol. Catal., 2021, 510, 111692
DOI: 10.1016/j.mcat.2021.111692OpenAccess: LinkKeywords: Catalysis, Chemical bonding, Computational chemistry, Reaction mechanisms, Sustainable Catalysis
Carlos G. Acevedo-Rocha, Aitao Li, Lorenzo D’Amore, Sabrina Hoebenreich, Joaquin Sanchis, Paul Lubrano, Matteo P. Ferla, Marc Garcia-Borràs, Sílvia Osuna, Manfred T. Reetz
Pervasive cooperative mutational effects on multiple catalytic enzyme traits emerge via long-range conformational dynamics
Nat Commun, 2021, 12, 1621
DOI: 10.1038/s41467-021-21833-wOpenAccess: LinkKeywords: Molecular Dynamics, Biocatalysis, Non-covalent interactions
Elizabeth L. Bell, William Finnigan, Scott P. France, Anthony P. Green, Martin A. Hayes, Lorna J. Hepworth, Sarah L. Lovelock, Haruka Niikura, Sílvia Osuna, Elvira Romero, Katherine S. Ryan, Nicholas J. Turner, Sabine L. Flitsch
Biocatalysis
Nat Rev Methods Primers, 2021, 1, 46
DOI: 10.1038/s43586-021-00044-zOpenAccess: LinkKeywords: Catalysis, Enzyme design, Biocatalysis
Zhen Liu, Carla Calvó-Tusell, AndrewZ. Zhou, Kai Chen, Marc Garcia-Borràs, Frances H. Arnold
Dual-function enzyme catalysis for enantioselective carbon–nitrogen bond formation
Nat. Chem., 2021, 13, 1166-1172
DOI: 10.1038/s41557-021-00794-zOpenAccess: –Keywords: Catalysis, Computational chemistry, Enzyme design, Metalloproteins
Carla Magallón, Oriol Planas, Steven Roldán-Gómez, Josep M. Luis, Anna Company, Xavi Ribas
Well-Defined Aryl-FeII Complexes in Cross-Coupling and C-H Activation Processes
Organometallics, 2021, 40, 1195-1200
DOI: 10.1021/acs.organomet.1c00100OpenAccess: –Keywords: Organometallics, Reaction mechanisms, Sustainable Catalysis
Croix J. Laconsay, Anna Pla-Quintana, Dean J. Tantillo
Effects of Axial Solvent Coordination to Dirhodium Complexes on the Reactivity and Selectivity in C–H Insertion Reactions: A Computational Study
Organometallics, 2021, 40, 4120-4132
DOI: 10.1021/acs.organomet.1c00574OpenAccess: –Keywords: Catalysis, Density Functional Theory, Organometallics, Reaction mechanisms
Elesha R. Hoffarth, Kersti Caddell Haatveit, Eugene Kuatsjah, Gregory A. MacNeil, Simran Saroya, Charles J. Walsby, Lindsay D. Eltis, K.N. Houk, Marc Garcia-Borràs, Katherine S. Ryan
A shared mechanistic pathway for pyridoxal phosphate–dependent arginine oxidases
Proc Natl Acad Sci USA, 2021, 118, e2012591118
DOI: 10.1073/pnas.2012591118
OpenAccess: –Keywords: Catalysis, Computational chemistry, Enzyme design, Reaction mechanisms
Sébastien Coufourier, Daouda Ndiaye, QuentinGaignard Gaillard, Léo Bettoni, Nicolas Joly, MbayeDiagne Mbaye, Albert Poater, Sylvain Gaillard, Jean-Luc Renaud
Iron-catalyzed chemoselective hydride transfer reactions
Tetrahedron, 2021, 90, 132187
DOI: 10.1016/j.tet.2021.132187OpenAccess: –Keywords: Catalysis, Organometallics, Reaction mechanisms, Sustainable Catalysis
Miquel Costas
Site and Enantioselective Aliphatic C−H Oxidation with Bioinspired Chiral Complexes
The Chemical Record, 2021, 21, 4000-4014
DOI: 10.1002/tcr.202100227OpenAccess: –Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis
Kallol Ray, Katrin Warm, Inés Monte Pérez, Uwe Kuhlmann, Peter Hildebrandt, Erik Farquhar, Marcel Swart
Stable, but still reactive – investigations on the effects of Lewis acid binding on copper nitrene intermediates
Z. Anorg. Allg. Chem., 2021, 647, 1495-1502
DOI: 10.1002/zaac.202100092OpenAccess: LinkKeywords: Catalysis, Computational chemistry, High-valent metal complexes, Spectroscopy