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Results: 21

Nil Insa-Carreras, Àlex Díaz-Jiménez, Andrea Pinto, Laura Rodríguez, Albert Poater, Anna Roglans, Anna Pla-Quintana
Skeletal Rearrangement of Biaryls via Rhodium-Azirine Intermediate: A Route to Solid-State Emissive Polycyclic Sulfamates
ACS Catal., 2026, 16, 189-196
DOI: 10.1021/acscatal.5c06179
OpenAccess: Link
Keywords: Cycloaddition, Joint Exp-Comp, Reaction mechanisms

Cristina Duran, Sílvia Osuna
Inactive but Essential: The Role of the Inactive State of E49 in the Mechanism of the Alpha Subunit of Tryptophan Synthase and Its Stand-Alone BlueprintZm BX1
ACS Catal., 2026, [], ASAP-
DOI: 10.1021/acscatal.5c08026
OpenAccess: Link
Keywords: Enzyme design

Sergio Fernández, Klaudia Michaliszyn, EkaterinaS. Smirnova, Marc Robert, Josep M. Luis, Julio Lloret-Fillol
Selective CO2 Electroreduction to CO by an Organometallic Nickel Catalyst Featuring a C3 –Symmetric Tris(Phosphino)Alkyl Ligand
ACS Catal., 2026, [], ASAP-
DOI: 10.1021/acscatal.5c08299
OpenAccess: Link
Keywords: Computational chemistry, Electron and energy transfer, Joint Exp-Comp, Organometallics, Reaction mechanisms

Mattia Vettori, Federico Franco, Sergio Fernández, Guillem Pey, VladMartin Diaconescu, Josep M. Luis, Julio Lloret‐Fillol
Molecular Electrocatalyst Enables Direct Electrochemical Capture and Conversion of CO2 up to Atmospheric Concentration
Angew Chem Int Ed, 2026, [], ASAP-
DOI: 10.1002/anie.8293935
OpenAccess: Link
Keywords: Computational chemistry, Electron and energy transfer, Homogeneous catalysis, Joint Exp-Comp, Organometallics

Sabrina Mandl, Janet Sánchez, Miquel Estévez, Astrid Bruckmann, Caroline Hiefinger, Sílvia Osuna, Andrea Hupfeld
Boosting Reversible Photocontrol of a Photoxenase by an Engineered Conformational Shift
Angew Chem Int Ed, 2026, 65, e18896
DOI: 10.1002/anie.202518896
OpenAccess: Link
Keywords: Enzyme design

Xingmao Chang, Ashley J. Redman, Linda Zedler, Louis Blechschmidt, Adriana Sacristán‐Martín, Fabian Schwer, Inhar Imaz, Markus P. B. Wiedmaier, Xavi Ribas, Daniel Maspoch, Benjamin Dietzek‐Ivanšić, Sabine Richert, Max von Delius
Rigidifying Qubit Candidates in a Cu‐Porphyrin Nanohoop: Dipolar Coupling in Spin Pairs and Spin‐Polarized Ground State
Angew Chem Int Ed, 2026, 65, e22950
DOI: 10.1002/anie.202522950
OpenAccess: Link
Keywords: Confined space, Nanomaterials, Supramolecular chemistry

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, [], ASAP-
DOI: 10.1039/D5CC06794D
OpenAccess: Link
Keywords: Joint Exp-Comp, Molecular Dynamics interactions, Nanocages, Nanomaterials, Supramolecular chemistry

Alicia Casitas, Xavi Ribas
A reflection on recent advances in organometallic copper(iii ) chemistry
Chem. Sci., 2026, [], ASAP-
DOI: 10.1039/d5sc90259b
OpenAccess: Link
Keywords: Cross-coupling reactions, Ligand design, Organometallics, Reaction mechanisms

Miquel Solà, Luigi Cavallo
Energetic Preferences in Cyclic π-Conjugated Systems: Aromaticity Localizes and Antiaromaticity Spreads
Chemistry, 2026, 8, 7-
DOI: 10.3390/chemistry8010007
OpenAccess: Link
Keywords: Aromaticity, Excited states

Kavita G. Ramnath, Colin T. Pierce, Guillem Casadevall, Silvia Osuna, Jadyn Ide‐Pech, Bryan Zeng, Vishnu Iyer, Romas J. Kazlauskas, Richard A. Gross
Engineered Leaf‐Branch Compost Cutinase with Enhanced PET Degradation Across a Broad Temperature Range
ChemSusChem, 2026, 19, ASAP-
DOI: 10.1002/cssc.202501789
OpenAccess: Link
Keywords: Enzyme design

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