Publications

Authors: Stuart C. D. Kennington, Mou Mandal, Roger Monreal-Corona, Arijit Saha, Albert Poater, Anna Roglans, Anna Pla-Quintana

ACS Catalysis, 2025, 15, 17, 15043-15049

DOI: 10.1021/acscatal.5c04046

Distal mutations enhance catalysis in designed enzymes by facilitating substrate binding and product release

Authors: Niayesh Zarifi, Pooja Asthana, Hiva Doustmohammadi, Cindy Klaus, Janet Sanchez, Serena E. Hunt, Rojo V. Rakotoharisoa, Sílvia Osuna, James S. Fraser, Roberto A. Chica

Nature Communications, 2025, 16, 1

DOI: 10.1038/s41467-025-63802-7

Macrocyclic NHC Ligands in Hoveyda-Type Ru Alkene Metathesis Catalysts: Only Sterics?

Authors: Artur Brotons-Rufes, Sergio Posada-Pérez, Steven T. Diver, Albert Poater

Inorganic Chemistry, 2025, 64, 38, 19485-19496

DOI: 10.1021/acs.inorgchem.5c03590

Chemical Tuning of the Electronic Structure in Diruthenium Compounds

Authors: Almudena Inchausti, Rosa Mollfulleda, Marcel Swart, Josefina Perles, Santiago Herrero, Valentín G. Baonza, Mercedes Taravillo, Álvaro Lobato

The Journal of Physical Chemistry Letters, 2025, 16, 38, 10000-10008

DOI: 10.1021/acs.jpclett.5c02176

Molecular aromaticity: a quantum phenomenon

Authors: Miquel Solà, Dariusz W. Szczepanik

Pure and Applied Chemistry, 2025, 97, 9, 1149-1157

DOI: 10.1515/pac-2025-0465

Keywords: Aromaticity, Chemical bonding, Nanomaterials

Secondary Production and Biomass Dynamics of Mediterranean Brown Trout (Salmo trutta Complex) in Pyrenean Headwater Streams

Authors: Enric Aparicio, Rafel Rocaspana, Carles Alcaraz

Fishes, 2025, 10, 10, 476

DOI: 10.3390/fishes10100476

Biocatalytic Olefin Difunctionalization for Synthesis of Chiral 2‐Azidoamines Using Nonheme Iron Enzymes

Authors: Anthony J. Huls, Jordi Soler, Yuxuan Su, Yunfang Yang, Marc Garcia‐Borràs, Xiongyi Huang

Angewandte Chemie International Edition, 2025, 64, 39

DOI: 10.1002/anie.202423403

Keywords: Biocatalysis, Computational chemistry, Enzyme design

Expanding the Repertoire of Photoswitchable Unnatural Amino Acids for Enzyme Engineering

Authors: Caroline Hiefinger, Michela Marcon, Verena Pape, Guillem Casadevall, Ranit Lahmy, Christoph Haag, Julian Nazet, Michael Bartl, Astrid Bruckmann, Sílvia Osuna, Burkhard König, Andrea Hupfeld

Angewandte Chemie International Edition, 2025, 64, 38

DOI: 10.1002/anie.202508562

Keywords: Enzyme design

Rationalizing Spin-Crossover Properties of Substituted Fe (II) Complexes

Authors: Gerard Comas-Vilà, Pedro Salvador

Inorganic Chemistry, 2025, 64, 30, 15437-15447

DOI: 10.1021/acs.inorgchem.5c01523

Keywords: Chemical bonding, Computational chemistry, Ligand design, Real-space analysis, Spectroscopy

Distal Mutations in a Designed Retro-Aldolase Alter Loop Dynamics to Shift and Accelerate the Rate-Limiting Step

Authors: Serena E. Hunt, Cindy Klaus, Aqza E. John, Niayesh Zarifi, Alec Martinez, Ferran Feixas, Marc Garcia-Borràs, Michael C. Thompson, Roberto A. Chica

Journal of the American Chemical Society, 2025, 147, 34, 30723-30736

DOI: 10.1021/jacs.5c05134

Keywords: Biocatalysis, Biomolecules and biomaterials, Enzyme design, Molecular Dynamics interactions