Publications

More filters

Results: 1751

Edison Castro, Albert Artigas, Anna Pla-Quintana, Anna Roglans, Fang Liu, Frank Perez, Agustí Lledó, X.-Y. Zhu, Luis Echegoyen
Enhanced Open-Circuit Voltage in Perovskite Solar Cells with Open-Cage [60]Fullerene Derivatives as Electron-Transporting Materials
Materials, 2019, 12, 1314-
DOI: 10.3390/ma12081314
OpenAccess: –
Keywords: Catalysis, Cycloaddition, Fullerenes

Kristína Urbanová, Inmaculada Ramírez-Macías, Rubén Martín-Escolano, María Rosales, Olaf Cussó, Joan Serrano, Anna Company, Manuel Sánchez-Moreno, Miquel Costas, Xavi Ribas, Clotilde Marín
Effective Tetradentate Compound Complexes against Leishmania spp. that Act on Critical Enzymatic Pathways of These Parasites
Molecules, 2019, 24, 134-
DOI: 10.3390/molecules24010134
OpenAccess: Link
Keywords: Catalysis, High-valent metal complexes, Metalloproteins, Oxidation

Carles Fuertes, Jesse Murillo, MarcoE. Soto, Roser Morales-Martínez, Antonio Rodriguez-Fortea, JosepM. Poblet, Luis Echegoyen, Xavi Ribas
Highly selective encapsulation and purification of U-based C₇₈ -EMFs within a supramolecular nanocapsule
Nanoscale, 2019, 11, 23035-23041
DOI: 10.1039/C9NR07660C
OpenAccess: –
Keywords: Confined space, Endohedral fullerenes, Fullerenes, Nanocages, Supramolecular chemistry

Xi Chen, Hongliu Zhang, Miguel A. Maria-Solano, Weidong Liu, Juan Li, Jinhui Feng, Xiangtao Liu, Sílvia Osuna, Rey-Ting Guo, Qiaqing Wu, Dunming Zhu, Yanhe Ma
Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase
Nat Catal, 2019, 2, 931-941
DOI: 10.1038/s41929-019-0347-y
OpenAccess: –
Keywords: Molecular Dynamics, Biocatalysis, Non-covalent interactions

Xavier Arqué, Adrian Romero-Rivera, Ferran Feixas, Tania Patiño, Sílvia Osuna, Samuel Sánchez
Intrinsic enzymatic properties modulate the self-propulsion of micromotors
Nat Commun, 2019, 10, 2826
DOI: 10.1038/s41467-019-10726-8
OpenAccess: Link
Keywords: Molecular Dynamics, Biocatalysis, Non-covalent interactions

Laura Falivene, Zhen Cao, Andrea Petta, Luigi Serra, Albert Poater, Romina Oliva, Vittorio Scarano, Luigi Cavallo
Towards the online computer-aided design of catalytic pockets
Nat. Chem., 2019, 11, 872-879
DOI: 10.1038/s41557-019-0319-5
OpenAccess: –
Keywords: Catalysis, Computational chemistry, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis

Margarida Borrell, Erik Andris, Rafael Navrátil, Jana Roithová, Miquel Costas
Characterized cis-FeV(O)(OH) intermediate mimics enzymatic oxidations in the gas phase
Nat. Commun., 2019, 10, 901
DOI: 10.1038/s41467-019-08668-2
OpenAccess: Link
Keywords: Catalysis, Computational chemistry, High-valent metal complexes, Oxidation, Spectroscopy

Antonia Tomás-Loba, Elisa Manieri, Bárbara González-Terán, Alfonso Mora, Luis Leiva-Vega, Ayelén M. Santamans, Rafael Romero-Becerra, Elena Rodríguez, Aránzazu Pintor-Chocano, Ferran Feixas, Juan Antonio López, Beatriz Caballero, Marianna Trakala, Óscar Blanco, Jorge L. Torres, Lourdes Hernández-Cosido, Valle Montalvo-Romeral, Nuria Matesanz, Marta Roche-Molina, Juan Antonio Bernal, Hannah Mischo, Marta León, Ainoa Caballero, Diego Miranda-Saavedra, Jesús Ruiz-Cabello, Yulia A. Nevzorova, Francisco Javier Cubero, Jerónimo Bravo, Jesús Vázquez, Marcos Malumbres, Miguel Marcos, Sílvia Osuna, Guadalupe Sabio
p38γ is essential for cell cycle progression and liver tumorigenesis
Nature, 2019, 568, 557-560
DOI: 10.1038/s41586-019-1112-8
OpenAccess: –
Keywords: Molecular Dynamics simulations, Non-covalent interactions

Carlota Clarasó, Laia Vicens, Alfonso Polo, Miquel Costas
Enantioselective Epoxidation of β,β-Disubstituted Enamides with a Manganese Catalyst and Aqueous Hydrogen Peroxide
Org. Lett., 2019, 21, 2430-2435
DOI: 10.1021/acs.orglett.9b00729
OpenAccess: –
Keywords: Catalysis, Oxidation, Sustainable Catalysis

Korinne Liosi, Adrian Romero-Rivera, Olesya Semivrazhskaya, Caravaggio D. Caniglia, Marc Garcia-Borràs, Nils Trapp, Sílvia Osuna, Yoko Yamakoshi
Site-Selectivity of Prato Additions to C₇₀ : Experimental and Theoretical Studies of a New Thermodynamic Product at thedd -[5,6]-Junction
Org. Lett., 2019, 21, 5162-5166
DOI: 10.1021/acs.orglett.9b01756
OpenAccess: –
Keywords: Cycloaddition, Density Functional Theory, Fullerenes