Publications

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Results: 1998

Sophie Staar, Miquel Estévez-Gay, Felix Kaspar, Sílvia Osuna, Anett Schallmey
Engineering of Conserved Sequence Motif 1 Residues in Halohydrin Dehalogenase HheC Simultaneously Enhances Activity, Stability, and Enantioselectivity
ACS Catal., 2025, 15, 5257-5272
DOI: 10.1021/acscatal.5c00819
OpenAccess: Link
Keywords: Enzyme design

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

Marika Di Berto Mancini, C. Maurits de Roo, AndyS. Sardjan, Ronald Hage, Giorgio Olivo, Osvaldo Lanzalunga, Marcel Swart, Wesley R. Browne
A Transient, Highly Reactive Fe(IV)═O Species Revealed Through the Interference by O₂ in the Activation of Organic Peracids by [(N4Py)Fe(II)]²⁺
ACS Catal., 2025, 15, 7482-7495
DOI: 10.1021/acscatal.5c00706
OpenAccess: Link
Keywords: Homogeneous catalysis, Joint Exp-Comp, Oxidation, Reaction mechanisms

Mona Wieland, Jonnely Luizaga, Cristina Duran, Barbara Germscheid, Johanna Rein, Astrid Bruckmann, Caroline Hiefinger, Sílvia Osuna, Andrea Hupfeld
Reversible Substrate-Specific Photocontrol of the Chemotherapeutic Asparaginase(-Glutaminase) fromEscherichia coli
ACS Catal., 2025, 15, 8462-8478
DOI: 10.1021/acscatal.5c01608
OpenAccess: Link
Keywords: Enzyme design

Tobias Vornholt, Peter Stockinger, Mojmír Mutný, Markus Jeschek, Bettina Nestl, Gustav Oberdorfer, Sílvia Osuna, Jürgen Pleiss, Ditte Hededam Welner, Andreas Krause, Rebecca Buller, Thomas R. Ward
Of Revolutions and Roadblocks: The Emerging Role of Machine Learning in Biocatalysis
ACS Cent. Sci., 2025, 11, 1828–1838
DOI: 10.1021/acscentsci.5c00949
OpenAccess: Link
Keywords: Enzyme design

Marcel Swart, Isaac Garcia-Bosch
Characterization of Three Intermediates in an Unusual Copper-Dependent Enzyme
ACS Cent. Sci., 2025, 11, 656-658
DOI: 10.1021/acscentsci.5c00732
OpenAccess: Link
Keywords: Homogeneous catalysis, Spectroscopy

Ping-Yuan Lee, Barbara M. Maciejewska, Mathew J. Cross, Chloe M. van Beek, Claire N. Brodie, Athul S. Bhaskaran, George T. Tebbutt, Ryan M. Schofield, Samuel J. Page, Ed Darnbrough, Marcel Swart, Andrew S. Weller, Nicole Grobert
A straightforward route to hexagonal-boron nitride fibers
Adv Compos Hybrid Mater, 2025, 8, 392
DOI: 10.1007/s42114-025-01418-7
OpenAccess: Link
Keywords: Joint Exp-Comp, Nanomaterials, Spectroscopy

Miguel Martinez‐Fernandez, MdBin Yeamin, David Dalmau, Jorge J. Carbó, Albert Poater, Juan V. Alegre‐Requena
Data‐Driven Analysis of Ni‐Catalyzed Semihydrogenations of Alkynes
Adv Synth Catal, 2025, 5, 656-658
DOI: 10.1002/adsc.202401444
OpenAccess: –
Keywords: Computational chemistry, Homogeneous catalysis, Machine learning, Predictive Chemistry, Reaction mechanisms

Cristina Castanyer, Albert Artigas, Miquel Solà, Anna Pla-Quintana, Anna Roglans
On the Functionalization of C₆₀ with Vinylallenes Generatedin situ by Rhodium Catalysis
Adv Synth Catal, 2025, 367, e202401163
DOI: 10.1002/adsc.202401163
OpenAccess: Link
Keywords: Cycloaddition, Homogeneous catalysis, Organometallics, Reaction mechanisms, Regioselectivite functionalization

Roger Monreal-Corona, Álex Díaz-Jiménez, Pedro J. Pérez, Ana Caballero, Anna Roglans, Albert Poater, Anna Pla-Quintana
Catalyst‐Directed Selectivity in Vinylcarbene Reactions: A Comparative Study of Ag, Rh, and Cu Complexes
Adv Synth Catal, 2025, 367, e70007
DOI: 10.1002/adsc.70007
OpenAccess: Link
Keywords: Chemical bonding, Cycloaddition, Organometallics, Predictive Chemistry, Reaction mechanisms