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Results: 8

Adrian Romero-Rivera, Marc Garcia-Borràs, Sílvia Osuna
Role of Conformational Dynamics in the Evolution of Retro-Aldolase Activity
ACS Catal., 2017, 7, 8524-8532
DOI: 10.1021/acscatal.7b02954
OpenAccess: –
Keywords: Catalysis, Computational chemistry, Enzyme design, Method development, Sustainable Catalysis

Valeria Dantignana, Michela Milan, Olaf Cussó, Anna Company, Massimo Bietti, Miquel Costas
Chemoselective Aliphatic C–H Bond Oxidation Enabled by Polarity Reversal
ACS Cent. Sci., 2017, 3, 1350–1358
DOI: 10.1021/acscentsci.7b00532
OpenAccess: –
Keywords: Catalysis, Oxidation, Sustainable Catalysis

Giorgio Olivo, Giulio Farinelli, Alessia Barbieri, Osvaldo Lanzalunga, Stefano Di Stefano, Miquel Costas
Supramolecular Recognition Allows Remote, Site-Selective C−H Oxidation of Methylenic Sites in Linear Amines
Angew. Chem., 2017, 56, 16347
DOI: 10.1002/anie.201709280
OpenAccess: –
Keywords: Catalysis, High-valent metal complexes, Oxidation, Supramolecular chemistry, Sustainable Catalysis

Jesús Antonio Luque-Urrutia, Martí Gimferrer, Èric Casals-Cruañas, Albert Poater
In Silico Switch from Second- to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co
Catalysts, 2017, 7, 389
DOI: 10.3390/catal7120389
OpenAccess: –
Keywords: Catalysis, Computational chemistry, Organometallics, Predictive Chemistry, Sustainable Catalysis

Charlotte Seck, Mbaye Diagne Mbaye, Sébastien Coufourier, Alexis Lator, Jean-François Lohier, Albert Poater, Thomas R. Ward, Sylvain Gaillard, Jean-Luc Renaud
Alkylation of Ketones Catalyzed by Bifunctional Iron Complexes: From Mechanistic Understanding to Application
Chem. Cat. Chem., 2017, 9, 4410-4416
DOI: 10.1002/cctc.201701241
OpenAccess: –
Keywords: Catalysis, Computational chemistry, Organometallics, Predictive Chemistry, Sustainable Catalysis

Guangyue Li, Miguel A. Maria-Solano, Adrian Romero-Rivera, Sílvia Osuna, Manfred T. Reetz
Inducing high activity of a thermophilic enzyme at ambient temperatures by directed evolution
Chem. Commun., 2017, 53, 9454-9457
DOI: 10.1039/C7CC05377K
OpenAccess: –
Keywords: Catalysis, Computational chemistry, Enzyme design, Sustainable Catalysis

Lorenzo Piola, José A. Fernández-Salas, Fady Nahra, Albert Poater, Luigi Cavallo, Steven P. Nolan
Ruthenium-catalysed decomposition of formic acid: Fuel cell and catalytic applications
Molecular Catalysis, 2017, 440, 184-189
DOI: 10.1016/j.mcat.2017.06.021
OpenAccess: –
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Sunatda Arayachukiat, Prapussorn Yingcharoen, Sai V. C. Vummaleti, Luigi Cavallo, Albert Poater, Valerio D’Elia
Cycloaddition of CO₂ to challenging N-tosyl aziridines using a halogen-free niobium complex: Catalytic activity and mechanistic insights
Molecular Catalysis, 2017, 443, 280-285
DOI: 10.1016/j.mcat.2017.10.023
OpenAccess: –
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis