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Results: 119

Andrea Palone, Guillem Casadevall, Sergi Ruiz-Barragan, Arnau Call, Sílvia Osuna, Massimo Bietti, Miquel Costas
C–H Bonds as Functional Groups: Simultaneous Generation of Multiple Stereocenters by Enantioselective Hydroxylation at Unactivated Tertiary C–H Bonds
J. Am. Chem. Soc., 2023, 145, 15742-15753
DOI: 10.1021/jacs.2c10148
Keywords: Computational chemistry, Homogeneous catalysis, Oxidation, Regioselectivite functionalization, Sustainable Catalysis

Arnau Call, Giorgio Capocasa, Andrea Palone, Laia Vicens, Eric Aparicio, Najoua Choukairi Afailal, Nikos Siakavaras, MariaEugènia López Saló, Massimo Bietti, Miquel Costas
Highly Enantioselective Catalytic Lactonization at Nonactivated Primary and Secondaryγ -C–H Bonds
J. Am. Chem. Soc., 2023, 145, 18094-18103
DOI: 10.1021/jacs.3c06231
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Regioselectivite functionalization, Sustainable Catalysis

Sergio Sisti, Marco Galeotti, Filippo Scarchilli, Michela Salamone, Miquel Costas, Massimo Bietti
Highly Selective C(sp³ )–H Bond Oxygenation at Remote Methylenic Sites Enabled by Polarity Enhancement
J. Am. Chem. Soc., 2023, 145, 22086-22096
DOI: 10.1021/jacs.3c07658
Keywords: Homogeneous catalysis, Oxidation, Regioselectivite functionalization, Sustainable Catalysis

Samahe Sadjadi, Neda Abedian-Dehaghani, MajidM. Heravi, Xuemin Zhong, Peng Yuan, Josep Duran, Albert Poater, Naeimeh Bahri-Laleh
Clay-supported acidic ionic liquid as an efficient catalyst for conversion of carbohydrates to 5-hydroxymethylfurfural
Journal of Molecular Liquids, 2023, 382, 121847-
DOI: 10.1016/j.molliq.2023.121847
Keywords: Chemical bonding, Computational chemistry, Non-covalent interactions, Reaction mechanisms, Sustainable Catalysis

Arshia Dehghani, S. Sadra Mohammad Nafari, Naeimeh Bahri-Laleh, Leila Moballegh, Samahe Sadjadi, Mehrsa Emami, Montserrat Rodríguez-Pizarro, Albert Poater
Nano-scaled halloysite-supported dicationic ionic liquids as effective additives in the production of low viscosity polyalphaolefin oils by AlCl3 co-initiator
Journal of Molecular Liquids, 2023, 391, 123373-
DOI: 10.1016/j.molliq.2023.123373
Keywords: Chemical bonding, Computational chemistry, Predictive Chemistry, Sustainable Catalysis

Reza Bazvand, Naeimeh Bahri-Laleh, Hossein Abedini, Mehdi Nekoomanesh, Albert Poater
Exploring microstructure of MgCl2·nEtOH adducts for Ziegler-Natta catalysts
Journal of Molecular Structure, 2023, 1291, 136098-
DOI: 10.1016/j.molstruc.2023.136098
Keywords: Chemical bonding, Computational chemistry, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis

Hima P, Vageesh M, Michele Tomasini, Albert Poater, Raju Dey
Transition metal-free synthesis of 2-aryl quinazolines via alcohol dehydrogenation
Molecular Catalysis, 2023, 542, 113110-
DOI: 10.1016/j.mcat.2023.113110
Keywords: Chemical bonding, Computational chemistry, Reaction mechanisms, Sustainable Catalysis

Sebastian Gergel, Jordi Soler, Alina Klein, KaiH. Schülke, Bernhard Hauer, Marc Garcia-Borràs, StephanC. Hammer
Engineered cytochrome P450 for direct arylalkene-to-ketone oxidation via highly reactive carbocation intermediates
Nat Catal, 2023, 6, 606-617
DOI: 10.1038/s41929-023-00979-4
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp, Sustainable Catalysis

Yu-Chao Yuan, Qiu-Li Lu, Xiao-Tong Zhu, Sergio Posada-Pérez, Miquel Solà, Albert Poater, Thierry Roisnel, Rafael Gramage-Doria
Precise control of the site selectivity in ruthenium-catalyzed C–H bond amidations using cyclic amides as powerful directing groups
Org. Chem. Front., 2023, 10, 42-53
DOI: 10.1039/D2QO01434C
Keywords: Catalysis, Organometallics, Predictive Chemistry, Sustainable Catalysis

Àlex Díaz-Jiménez, Stuart C. D. Kennington, Anna Roglans, Anna Pla-Quintana
Copper(I) Iodide Catalyzed [3 + 3] Annulation of Iodonium Ylides with Pyridinium 1,4-Zwitterionic Thiolates for the Synthesis of 1,4-Oxathiin Scaffolds
Org. Lett., 2023, 25, 4830-4834
DOI: 10.1021/acs.orglett.3c01538
Keywords: Cycloaddition, Homogeneous catalysis, Reaction mechanisms, Sustainable Catalysis