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Results: 2020

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

Bethan S. Jones, Jordi Soler, Joseph W. Sharratt, Bethany N. Hogg, Michele Tavanti, Christian Schnepel, Nico Kress, Lisa S. Seibt, Sílvia Osuna, Marc Garcia-Borràs, Sabine L. Flitsch
Mechanistic Insight-Guided Protein-Engineering Strategies Lead to the Control of Cytochrome-P450-Mediated Regioselectivity of Midchain Fatty Acid C–H Activation
ACS Catal., 2026, 16, 6673-6684
DOI: 10.1021/acscatal.5c09172
OpenAccess: –
Keywords: Biocatalysis, Computational chemistry, Enzyme design

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

Florian Weissensteiner, Cristina Berga, Emilia Iglesias-Moncayo, Sara Salehi, Isabel Oroz-Guinea, Klaus Zangger, Ferran Feixas, Marc Garcia-Borràs, Wolfgang Kroutil, Christoph K. Winkler
Establishing the Fatty Acid PhotodecarboxylaseCv FAP as a Platform for Photobiocatalytic Radical Transformations
ACS Catal., 2026, [], ASAP-
DOI: 10.1021/acscatal.6c01333
OpenAccess: –
Keywords: Biocatalysis, Computational chemistry, Enzyme design

Mila Miroshnichenko, Helen Hölzel, Edvinas Orentas, Karolis Kazlauskas, Pedro Ferreira, Fabienne Dumoulin, Carles Alcaide, Miquel Solà, Roger Bresolí‐Obach, Santi Nonell, Pankaj Bharmoria, Kasper Moth‐Poulsen
Bidirectional Photoswitching of a Tailored Azobenzene with Red and Far‐Red Light Involving Triplet Sensitization in an Aqueous System
Advanced Science, 2026, [], ASAP-
DOI: 10.1002/advs.75155
OpenAccess: Link
Keywords: Electron and energy transfer, Excited states, Joint Exp-Comp, 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

Ping Zhang, SergeyA. Anufriev, Changsheng Lu, Deshuang Tu, Jordi Poater, Miquel Solà, Hong Yan
Migration at Boron Cage for Selective B–H Functionalization ofnido ‐Carboranes
Angew Chem Int Ed, 2026, [], ASAP-
DOI: 10.1002/anie.8959071
OpenAccess: –
Keywords: Aromaticity, Joint Exp-Comp, Reaction mechanisms, Regioselectivite functionalization

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