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New generation UV-A filters : understanding their photodynamics on a human skin mimic

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Abiola, Temitope T., Rodrigues, Natércia D. N., Ho, Casey, Coxon, Daniel J. L., Horbury, Michael D., Toldo, Josene M., do Casal, Mariana T., Rioux, Benjamin, Peyrot, Cédric, Mention, Matthieu M., Balaguer, Patrick, Barbatti, Mario, Allais, Florent and Stavros, Vasilios G. (2021) New generation UV-A filters : understanding their photodynamics on a human skin mimic. The Journal of Physical Chemistry Letters, 12 . pp. 337-344. doi:10.1021/acs.jpclett.0c03004

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Official URL: http://dx.doi.org/10.1021/acs.jpclett.0c03004

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Abstract

The sparsity of efficient commercial ultraviolet-A (UV-A) filters is a major challenge toward developing effective broadband sunscreens with minimal human- and eco-toxicity. To combat this, we have designed a new class of Meldrum-based phenolic UV-A filters. We explore the ultrafast photodynamics of coumaryl Meldrum, CMe, and sinapyl Meldrum (SMe), both in an industry-standard emollient and on a synthetic skin mimic, using femtosecond transient electronic and vibrational absorption spectroscopies and computational simulations. Upon photoexcitation to the lowest excited singlet state (S1), these Meldrum-based phenolics undergo fast and efficient nonradiative decay to repopulate the electronic ground state (S0). We propose an initial ultrafast twisted intramolecular charge-transfer mechanism as these systems evolve out of the Franck–Condon region toward an S1/S0 conical intersection, followed by internal conversion to S0 and subsequent vibrational cooling. Importantly, we correlate these findings to their long-term photostability upon irradiation with a solar simulator and conclude that these molecules surpass the basic requirements of an industry-standard UV filter.

Item Type: Journal Article
Subjects: Q Science > QC Physics
Q Science > QD Chemistry
R Medicine > RC Internal medicine
Divisions: Faculty of Science, Engineering and Medicine > Science > Chemistry
Library of Congress Subject Headings (LCSH): Ultraviolet radiation, Ultraviolet radiation -- Physiological effect, Sunscreens (Cosmetics) , Photochemistry
Journal or Publication Title: The Journal of Physical Chemistry Letters
Publisher: American Chemical Society
ISSN: 1948-7185
Official Date: 2021
Dates:
DateEvent
2021Published
22 December 2020Available
7 December 2020Accepted
Volume: 12
Page Range: pp. 337-344
DOI: 10.1021/acs.jpclett.0c03004
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Open Access
RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
BoostCrop 828753Horizon 2020 Framework Programmehttp://dx.doi.org/10.13039/100010661
Chancellor ScholarshipUniversity of Warwickhttp://dx.doi.org/10.13039/501100000741
postdoctoral fundingLeverhulme Trusthttp://dx.doi.org/10.13039/501100000275
ANR10-EQPX-29-01[ANR] Agence Nationale de la Recherchehttp://dx.doi.org/10.13039/501100001665
ANR-17-CE07-0046[ANR] Agence Nationale de la Recherchehttp://dx.doi.org/10.13039/501100001665
Senior Research FellowshipLeverhulme Trusthttp://dx.doi.org/10.13039/501100000275
Senior Research FellowshipRoyal Societyhttp://dx.doi.org/10.13039/501100000288
EP/N010825/1[EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266

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