Publications

More filters

Results: 16

Valentina Iannace, Xavi Ribas
Supramolecular Control of Fullerene Recognition and Reactivity through Nanocapsule Confinement
Acc. Chem. Res., 2026, 59, 1414-1425
DOI: 10.1021/acs.accounts.6c00055
OpenAccess: Link
Keywords: Confined space, Molecular Dynamics interactions, Nanocages, Regioselectivite functionalization, Supramolecular chemistry

Qing‐Qing Zeng, Cristina Berga, Carla Calvó‐Tusell, Marc Garcia‐Borràs, Zhen Liu
Redirecting a Native Ene‐Reductase Toward Desaturation With Reverse Enantioselectivity
Angew Chem Int Ed, 2026, [], ASAP-
DOI: 10.1002/anie.3155545
OpenAccess: Link
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Molecular Dynamics interactions

Carles Fuertes-Espinosa, Clara Sabrià, Judith Sala, Lorena Capdevila, Ferran Feixas, Xavi Ribas
Interphasic separation ofcis /trans perylene-based nanographene isomers driven by selective encapsulation in a supramolecular cage
Chem. Commun., 2026, 62, 2672-2676
DOI: 10.1039/D5CC06794D
OpenAccess: Link
Keywords: Joint Exp-Comp, Molecular Dynamics interactions, Nanocages, Nanomaterials, Supramolecular chemistry

Clara Sabrià, Tània Pèlachs, Inhar Imaz, Daniel Maspoch, Ferran Feixas, Xavi Ribas
Supramolecular Purification of Mono-Adamantane Mixtures via Stabilized Three-Shell Matryoshka Assemblies
Chem. Sci., 2026, [], ASAP-
DOI: 10.1039/D6SC02321E
OpenAccess: Link
Keywords: Confined space, Molecular Dynamics interactions, Nanocages, Non-covalent interactions, Supramolecular chemistry

Carles Fuertes-Espinosa, Marco Ovalle, Yohan Gisbert, Clara Sabrià, Valentina Iannace, Josep M. Luis, Ferran Feixas, Alexander Ryabchun, Xavi Ribas, Ben L. Feringa
Light-Induced Rotation of a Molecular Motor in the Confined Space of a Metal–Organic Nanocage
J. Am. Chem. Soc., 2026, 148, 4189-4197
DOI: 10.1021/jacs.5c16349
OpenAccess: Link
Keywords: Computational chemistry, Electron and energy transfer, Joint Exp-Comp, Molecular Dynamics interactions, Supramolecular chemistry

Jason B. Hedges, Jorge A. Marchand, Carla Calvó-Tusell, Zi-Wang Wei, Douglas C. Millar, Marc Garcia-Borràs, Michelle C. Y. Chang, Katherine S. Ryan
Terminal alkyne formation by a pyridoxal phosphate-dependent enzyme
Nat Chem Biol, 2026, 22, 77-86
DOI: 10.1038/s41589-025-01954-9
OpenAccess: –
Keywords: Biocatalysis, Computational chemistry, Molecular Dynamics interactions

Anna Pantelia, Tània Pèlachs, Clara Sabrià, Carles Fuertes-Espinosa, Leandros P. Zorba, Georgios Rotas, Ferran Feixas, Xavi Ribas, Georgios C. Vougioukalakis
Multi-addition on nano-encapsulated fullerene derivatives bearing one functional group: Impact of the initial moiety
Next Materials, 2026, 11, 101612-
DOI: 10.1016/j.nxmate.2026.101612
OpenAccess: Link
Keywords: Confined space, Molecular Dynamics interactions, Nanocages, Regioselectivite functionalization, Supramolecular chemistry

Emely Jockmann, Helena Girame, Wieland Steinchen, Kalle Kind, Gert Bange, Kai Tittmann, Michael Müller, Ferran Feixas, Marc Garcia-Borràs, Jennifer N. Andexer
How to Tell an N from an O: Controlling the Chemoselectivity of Methyltransferases
ACS Catal., 2025, 15, 6410-6425
DOI: 10.1021/acscatal.5c00834
OpenAccess: –
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Molecular Dynamics interactions, Biomolecules and biomaterials

Tània Pèlachs, Clara Sabrià, Valentina Iannace, Inhar Imaz, Felipe Gándara, Daniel Maspoch, Ferran Feixas, Xavi Ribas
Supramolecular Mask Regioconverter: Orthogonal Diels–Alder C₇₀ Bisadducts by Mask-Mediated Regioselective Synthesis
CCS Chem, 2025, 7, 703-715
DOI: 10.31635/ccschem.024.202405057
OpenAccess: Link
Keywords: Confined space, Molecular Dynamics interactions, Nanocages, Regioselectivite functionalization, Supramolecular chemistry

Fabian M. Steudel, Clara Sabrià, Massimo Delle Piane, Ferran Feixas, Xavi Ribas, Giovanni M. Pavan, Max von Delius
Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C₆₀ [2]catenane
Chem. Sci., 2025, 16, 21908-21916
DOI: 10.1039/D5SC05734E
OpenAccess: Link
Keywords: Confined space, Molecular Dynamics interactions, Regioselectivite functionalization