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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 ISSN 1948-7185.
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Official URL: http://dx.doi.org/10.1021/acs.jpclett.0c03004
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 | |||||||||||||||||||||||||||
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| Subjects: | Q Science > QC Physics Q Science > QD Chemistry R Medicine > RC Internal medicine |
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| 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: |
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| 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 (Creative Commons) | |||||||||||||||||||||||||||
| Date of first compliant deposit: | 5 January 2021 | |||||||||||||||||||||||||||
| Date of first compliant Open Access: | 7 January 2021 | |||||||||||||||||||||||||||
| RIOXX Funder/Project Grant: |
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