 | Dr. Jesús Lucia-Tamudo University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria jesus.lucia.tamudo@univie.ac.at +43 1 4277 52761 ORCID: 0000-0002-1499-8225 Google Scholar: JyrsZowAAAAJ |
| Focus Area |
| I mainly focus on disclosing the mechanism for photodissociation of non-steroidal anti-inflamatory drugs (NSAIDs) and the factors –structural, dynamical, and environmental– that tune this reactivity, with the ultimate goal to propose rules that discriminate different pathways within different NSAIDs and enhance photostability. I also work on the development of vibronic coupling models applied to trajectory surface hopping that can accurately describe the photophysics and photochemistry of a wide range of systems. |
| Awards & Prizes |
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| News |
| Publications |
Rational Design of 2D Xene-based (Photo)Electrocatalysts with Built-in Iron-Triad Bimetallic Nanoalloys for Efficient Overall Water Splitting (submitted), (2026) 15. Á. Campos-Lendínez, J. Lucia-Tamudo, E. S. Da Silva, X. Sala, J. Muñoz Direct Synthesis of Organo-Modified 2D Germanene via Amination Chemistry: A Platform for Ultrasensitive Electrosensing (submitted), (2026) 14. M. Ibáñez-deLuis, J. Lucia-Tamudo, L. Martínez-Fernández A Benchmarking Protocol for Computing Ionization Potential of DNA Nucleobases (submitted), (2026) 13. L. A. Prieto, N. Khiar-Fernández, R. Calderón-Ruiz, E. Giraud, J. M. Calderón-Montaño, J. Lucia-Tamudo, R. León, J. A. Pérez-Simón, M. López-Lázaro, R. Recio, E. de la Torre, V. Valdivia, I. Fernández Potent Nrf2-Inducing C6-Isothiocyanate Glucose Derivatives with Dual Antioxidant and Antitumor Activity Antioxidants 15, 123, (2026), DOI: 10.3390/antiox15010123 12. S. Galve-Lahoz, J. Sánchez-Diaz, J. Marco-Guimbao, N. Guenani, J. Simancas, J. Rodriguez-Pereira, J. Lucia-Tamudo, S. Díaz-Tendero, J. Pascual, B. Julián-López, J.P. Martínez-Pastor, E.M. Barea, I. Mora-Seró, J.L. Delgado. Fluorinated Fullerene Interlayers for Tin Halide Perovskite Solar Cells with Enhanced Operational Air Stability and Minimized Voltage Losses EES Solar 1, 608, (2025), DOI: 10.1039/D5EL00071H 11. J. Lucia-Tamudo, M. Menkel-Lantz, E. Tapavicza First Principles Prediction of Wavelength-dependent Isomerization Quantum Yields of a Second-generation Molecular Nanomotor Phys. Chem. Chem. Phys. 27, 12519-12531 , (2025), DOI: 10.1039/D5CP01063B 10. A. Erhard, B. Falge, F. Arp, J. Lucia-Tamudo, T. Rittner, E. Tapavicza, P. Nuernberger, R. Wolf Photochemical Arylation Reactions Mediated by a Terpyridine Cobalt Complex Eur. J. Org. Chem. 28, e202500398, (2025), DOI: 10.1002/ejoc.202500398 9. L.A. Prieto, N. Khiar-Fernandez, J.M. Calderón-Montaño, M. López-Lázaro, J. Lucia-Tamudo, J.J. Nogueira, R. León, N. Moreno-Rodríguez, V. Valdivia, R. Recio, I. Fernández Exploring the Broad-spectrum Activity of Carbohydrate-based Iberin Analogues: From Anticancer Effect to Antioxidant Properties Eur. J. Med. Chem. 289, 117469, (2025), DOI: 10.1016/j.ejmech.2025.117469 8. J. Lucia-Tamudo, R. López-Sánchez, S. Díaz-Tendero, J. J. Nogueira Effect of Weak Intermolecular Interactions on the Ionization of Benzene Derivatives Dimers J. Chem. Phys. 161, 164309, (2024), DOI: 10.1063/5.0226339 7. J. Lucia-Tamudo, J. J. Nogueira, S. Díaz-Tendero Charge Transfer Mechanism in Guanine-based Self-Assembled Monolayers on a Gold Surface Langmuir 40, 15129–15139, (2024), DOI: 10.1063/5.0226339 6. J. Lucia-Tamudo, S. Díaz-Tendero, J. J. Nogueira One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA J. Chem. Inf. Model. 64, 4802–4810, (2024), DOI: 10.1021/acs.jcim.4c00528 5. J. Lucia-Tamudo, M. Alcamí, S. Díaz-Tendero, J. J. Nogueira One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA. Biochemistry 62, 3312-3322, (2023), DOI: 10.1021/acs.biochem.3c00324 4. J. Lucia-Tamudo, S. Díaz-Tendero, J. J. Nogueira Intramolecular and Intermolecular Hole Delocalization Rules the Reducer Character of Isolated Nucleobases and Homogeneous Single-stranded DNA Phys. Chem. Chem. Phys. 25, 14578-14589, (2023), DOI: 10.1039/D3CP00884C 3. J. Lucia-Tamudo, J. J. Nogueira, S. Díaz-Tendero An Efficient Multilayer Approach to Model DNA-Based Nanobiosensors J. Phys. Chem. B 127, 1513-1525, (2023), DOI: 10.1021/acs.jpcb.2c07225 2. G. Cárdenas, J. Lucia-Tamudo, H. Mateo-delaFuente, V. Palmisano, N. Anguita-Ortiz, L. Ruano, Á. Pérez-Barcia, S. Díaz-Tendero, M. Mandado, J. J. Nogueira MoBioTools: A Toolkit to Setup Quantum Mechanics/Molecular Mechanics Calculations J. Comput. Chem. 44, 516-533, (2023), DOI: 10.1002/jcc.27018 1. J. Lucia-Tamudo, G. Cárdenas, N. Anguita-Ortiz, S. Díaz-Tendero, J. J. Nogueira Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches J. Chem. Inf. Model. 62, 3365-3380, (2022), DOI: 10.1021/acs.jcim.2c00234 |