Publications

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Results: 353

Jianan Xu, Laurent Bonneviot, Yannick Guari, Cyrille Monnereau, Kun Zhang, Albert Poater, Montserrat Rodríguez-Pizarro, Belén Albela
Matrix Effect on Singlet Oxygen Generation Using Methylene Blue as Photosensitizer
Inorganics, 2024, 12, 155-
DOI: 10.3390/inorganics12060155
OpenAccess: Link
Keywords: Chemical bonding, Computational chemistry, Excited states, Sustainable Catalysis

Miguel Ramos, Miquel Solà, Albert Poater
Hydrophenoxylation of alkynes by gold catalysts: a mini review
J Mol Model, 2024, 30, ASAP-
DOI: 10.1007/s00894-024-06152-3
OpenAccess: Link
Keywords: Cross-coupling reactions, Homogeneous catalysis, Ligand design, Organometallics, Reaction mechanisms

Brandon J. Bloomer, Isaac A. Joyner, Marc Garcia-Borràs, Derek B. Hu, Martí Garçon, Andrew Quest, Consuelo Ugarte Montero, Isaac F. Yu, Douglas S. Clark, John F. Hartwig
Enantio- and Diastereodivergent Cyclopropanation of Allenes by Directed Evolution of an Iridium-Containing Cytochrome
J. Am. Chem. Soc., 2024, 146, 1819-1824
DOI: 10.1021/jacs.3c13011
OpenAccess: –
Keywords: Biocatalysis, Computational chemistry, Cycloaddition, Enzyme design

Najoua Choukairi Afailal, Margarida Borrell, Marco Cianfanelli, Miquel Costas
Dearomativesyn -Dihydroxylation of Naphthalenes with a Biomimetic Iron Catalyst
J. Am. Chem. Soc., 2024, 146, 240-249
DOI: 10.1021/jacs.3c08565
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Sustainable Catalysis

Marco Galeotti, Massimo Bietti, Miquel Costas
Catalyst and Medium Control over Rebound Pathways in Manganese-Catalyzed Methylenic C–H Bond Oxidation
J. Am. Chem. Soc., 2024, 146, 8904-8914
DOI: 10.1021/jacs.3c11555
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Regioselectivite functionalization

Matteo Castelli, Filippo Marchetti, Sílvia Osuna, A. Sofia F. Oliveira, AdrianJ. Mulholland, Stefano A. Serapian, Giorgio Colombo
Decrypting Allostery in Membrane-Bound K-Ras4B Using ComplementaryIn Silico Approaches Based on Unbiased Molecular Dynamics Simulations
J. Am. Chem. Soc., 2024, 146, 901-919
DOI: 10.1021/jacs.3c11396
OpenAccess: Link
Keywords: Biocatalysis, Enzyme design

Donglin Diao, Anna Baidiuk, Leo Chaussy, Iago De Assis Modenez, Xavi Ribas, Marius Réglier, Vlad Martin-Diaconescu, Paola Nava, A. Jalila Simaan, Alexandre Martinez, Cédric Colomban
Light-Induced Reactivity Switch at O₂ –Activating Bioinspired Copper(I) Complexes
JACS Au, 2024, 4, 1966-1974
DOI: 10.1021/jacsau.4c00184
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Supramolecular chemistry

Duenpen Unjaroen, Daniél R. Duijnstee, Marika Di Berto Mancini, Juan Chen, Ronald Hage, Marcel Swart, Wesley R. Browne
Role of non-redox innocent ligand units in the oxidation of alcohols with H2O2 catalyzed by μ-oxido-diiron(III) bis-phenolato polypyridyl complexes
Journal of Inorganic Biochemistry, 2024, 260, 112698-
DOI: 10.1016/j.jinorgbio.2024.112698
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Joint Exp-Comp, Reaction mechanisms, Spectroscopy

Arash Shams, Fereshteh Karkhaneh, Mehrsa Emami, HamidReza Teimoury, HosseinAli Khonakdar, Àngel Oliveras, Roger Monreal-Corona, Anna Pla-Quintana, Albert Poater, Naeimeh Bahri-Laleh
Ziegler-Natta catalyst particle size control in propylene/α-olefin (co)polymerizations
Molecular Catalysis, 2024, 553, 113748-
DOI: 10.1016/j.mcat.2023.113748
OpenAccess: Link
Keywords: Organometallics, Regioselectivite functionalization, Sustainable Catalysis

Javier A. Menendez, Elisabet Cuyàs, JoseAntonio Encinar, Travis Vander Steen, Sara Verdura, Àngela Llop-Hernández, Júlia López, Eila Serrano-Hervás, Sílvia Osuna, Begoña Martin-Castillo, Ruth Lupu
Fatty acid synthase (FASN ) signalome: A molecular guide for precision oncology
Molecular Oncology, 2024, 18, 479-516
DOI: 10.1002/1878-0261.13582
OpenAccess: Link
Keywords: Biocatalysis, Enzyme design