Publications

  1. Biomimetic regioselective and high-yielding Cu(I)-catalyzed dimerization of sinapate esters in green solvent Cyrene™: towards sustainable antioxidant and anti-UV ingredients, Matthieu Mention, Amandine Lea Flourat, Cedric Peyrot, Florent Allais, Green Chem., 2020, 22, 2077.
  2. Sustainable Synthesis of p-Hydroxycinnamic Diacids through Proline-Mediated Knoevenagel Condensation in Ethanol: An Access to Potent Phenolic UV Filters and Radical Scavengers, Benjamin Rioux, Cédric Peyrot, Matthieu M. Mention, Fanny Brunissen, Florent Allais, Antioxidants 2020, 9(4), 331.
  3. Conservation of ultrafast photoprotective mechanisms with increasing molecular complexity in sinapoyl malate derivatives, Lewis A. Baker, Michael Staniforth, Amandine L. Flourat, Florent Allais, Vasilios G. Stavros, ChemPysChem, 2020, 21, 2006.
  4. On the origin of the shift between vertical excitation and band maximum in molecular photoabsorption, Shuming Bai, Ritam Mansour, Ljiljana Stojanović, Josene M. Toldo, Mario Barbatti, Mol. Model. 2020, 26, 107.
  5. Exploring the photochemistry of an ethyl sinapate dimer: An attempt towards a better ultraviolet filter, Michael D. Horbury, Matthew A. P. Turner, Jack S. Peters, Matthieu Mention, Amandine L. Flourat, Nicholas D. M. Hine, Florent Allais, Vasilios G. Stavros, Frontiers in Chemistry, 2020, 8, 633.
  6. Insights into the photoprotection mechanism of the UV filter homosalate, Emily L. Holt, Konstantina M. Krokidi, Matthew A. P. Turner, Piyush Mishra, Timothy S. Zwier, Natércia d. N. Rodrigues, Vasilios G. Stavros, Phys. Chem. Chem. Phys., 2020, 22, 15509.
  7. Simulation of Excitation by Sunlight in Mixed Quantum-Classical Dynamics, Mario Barbatti, J. Chem. Theory Comput., 2020, 16(8), 4849.
  8. Innovative Bio-Based Organic UV-A and Blue Light Filters from Meldrum’s Acid, Cédric Peyrot, Matthieu M. Mention, Fanny Brunissen, Patrick Balaguer, Florent Allais, Molecules, 2020, 25(9), 2178.
  9. Computational and experimental characterization of novel ultraviolet filters, Jack M. Woolley, Raúl Losantos, Diego Sampedro, Vasilios G. Stavros, Phys. Chem. Chem. Phys., 2020, 22, 25390.
  10. Excited-state dynamics of isolated and (micro)solvated methyl sinapate: the bright and shady sides of a natural sunscreen, Jiayun Fan, Wim Roeterdink, Wybren Jan Buma, Molecular Physics, 2020, 119, e1825850.
  11. Sinapic Acid Esters: Octinoxate Substitutes Combining Suitable UV Protection and Antioxidant Activity, Cédric Peyrot, Matthieu M. Mention, Fanny Brunissen, Florent Allais, Antioxidants, 2020, 9(9), 782.
  12. New Generation UV-A Filters: Understanding Their Photodynamics on a Human Skin Mimic, Temitope T. Abiola, Natércia d. N. Rodrigues, Casey Ho, Daniel J. L. Coxon, Michael D. Horbury, Josene M. Toldo, Mariana T. do Casal, Benjamin Rioux, Cédric Peyrot, Matthieu M. Mention, Patrick Balaguer, Mario Barbatti, Florent Allais, Vasilios G. Stavros, Phys. Chem. Lett. 2021, 12(1), 337.
  13. Mechanistic Aspects of the Photophysics of UVA Filters Based on Meldrum Derivatives, Josene M. Toldo, Mariana T. do Casal, Mario Barbatti, J. Phys. Chem. A, 2021, 125(25), 5499.
  14. Fewest switches surface hopping with Baeck-An couplings, Mariana T. do Casal, Josene M. Toldo, Max Pinheiro Jr, Mario Barbatti, Open Res Europe, 2021, 1:49.
  15. Effects of substituent position on aminobenzoate relaxation pathways in solution, 
    Natércia d. N. Rodrigues, Jack M. Woolley, Konstantina M. Krokidi, Maria A. Tesa-Serrate, Matthew A. P. Turner, Nicholas D. M. Hine, Vasilios G. Stavros, Phys. Chem. Chem. Phys., 2021, 23, 23242.
  16. A systematic approach to methyl cinnamate photodynamics, Konstantina M. Krokidi, Matthew A. P. Turner, Philip A. J. Pearcy, Vasilios G. Stavros, Molecular Physics, 2021, 119, e1811910
  17. Towards developing novel and sustainable molecular light-to-heat converters, Temitope T. Abiola, Benjamin Rioux, Josene M. Toldo, Jimmy Alarcan, Jack M. Woolley, Matthew A. P. Turner, Daniel J. L. Coxon, Mariana Telles do Casal, Cédric Peyrot, Matthieu M. Mention, Wybren J. Buma, Michael N. R. Ashfold, Albert Braeuning, Mario Barbatti, Vasilios G. Stavros, Florent Allais, Chem. Sci., 2021, 12, 15239.
  18. Elucidating the photoprotective properties of natural UV screening agents: ZEKE-PFI spectroscopy of methyl sinapate, Jiayun Fan, Laura Finazzi and Wybren Jan Buma, Phys. Chem. Chem. Phys., 2022, 24, 3984.
  19. Modeling the heating and cooling of a chromophore after photoexcitation, Elizete Ventura, Silmar Andrade do Monte, Mariana T. do Casal, Max Pinheiro, Jr, Josene Maria Toldo and Mario Barbatti, Phys. Chem. Chem. Phys., 2022, 24, 15604.
  20. From Biomass-Derived p-Hydroxycinnamic Acids to Novel Sustainable and Non-Toxic Phenolics-Based UV-Filters: A Multidisciplinary Journey, Benjamin Rioux, Jeanne Combes, Jack M. Woolley, Natércia d. N. Rodrigues, Matthieu M. Mention, Vasilios G. Stavros and Florent Allais, Frontiers in Chemistry, 2022, 10, 730.
  21. Probing the electronic structure and photophysics of thiophene–diketopyrrolopyrrole derivatives in solution, Daniel W. Polak, Mariana T. do Casal, Josene M. Toldo, Xiantao Hu, Giordano Amoruso, Olivia Pomeranc, Martin Heeney, Mario Barbatti, Michael N. R. Ashfold and Thomas A. A. Oliver, Phys. Chem. Chem. Phys., 2022, 34, 20138.
  22. Using diketopyrrolopyrroles to stabilize double excitation and control internal conversion, Mariana T. do Casal, Josene M. Toldo, Felix Plasser and Mario Barbatti, Phys. Chem. Chem. Phys., 2022, 38, 23279.
  23. Structural Elucidation of Agrochemicals and Related Derivatives Using Infrared Ion Spectroscopy, Matthias J.A. Vink, Fred A.M.G. van Geenen, Giel Berden, Timothy J. C. O’Riordan, Peter W.A. Howe, Jos Oomens, Simon J. Perry and Jonathan Martens, Environ. Sci. Technol. 2022, 56(22), 15563.
  24. Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters, Temitope T. Abiola, Josene M. Toldo, Mariana T. do Casal, Amandine L. Flourat, Benjamin Rioux, Jack M. Woolley, Daniel Murdock, Florent Allais, Mario Barbatti and Vasilios G. Stavros, Commun. Chem., 2022, 5, 141.
  25. Insight into the Photodynamics of Photostabilizer Molecules, Temitope T. Abiola, Benjamin Rioux, Sharanjit Johal, Matthieu M. Mention, Fanny Brunissen, Jack M. Woolley, Florent Allais, and Vasilios G. Stavros, Phys. Chem. A, 2022, 126(45), 8388.

  26. Synergic photoprotection of phenolic compounds present in tomato fruit cuticle: a spectroscopic investigation in solution, A.G. Moreno, J.M. Woolley, E. Domínguez, A. de Cózar, A. Heredia and V.G. Stavros, Phys. Chem. Chem. Phys., 2023, 25, 12791

  27. Ring buckling and C=N isomerisation pathways for efficient photoprotection in two nature-inspired UVA sunscreens, revealed through ultrafast dynamics and high-level calculations, A.M. Cowden, R. Losantos, A.L. Whittock, B. Penin, D. Sampedro and V.G. Stavros, Photochem. Photobiol., 2023, accepted

  28. Spectroscopic insight on impact of environment on natural photoprotectants, A.L. Whittock, X. Ding, X.E. Ramirez Barker, N. Auckloo, R.A. Sellers, J.M. Woolley, K. Tamareselvy, M. Vincendet, C. Corre, E. Pickwell-MacPherson and V.G. Stavros, Chem. Sci., 2023, 14, 6763