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Data for 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) Data for New generation UV-A filters : understanding their photodynamics on a human skin mimic. [Dataset]

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Official URL: http://doi.org/10.5281/zenodo.4321973

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Abstract

The sparsity of efficient commercial ultraviolet-A (UV-A) filters is a major challenge towards 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 non-radiative 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 towards 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: Dataset
Subjects: Q Science > QC Physics
Q Science > QD Chemistry
R Medicine > RC Internal medicine
Divisions: Faculty of Science, Engineering and Medicine > Science > Chemistry
Type of Data: Experimental data
Library of Congress Subject Headings (LCSH): Ultraviolet radiation, Ultraviolet radiation -- Physiological effect, Sunscreens (Cosmetics), Photochemistry
Publisher: University of Warwick, Department of Chemistry
Official Date: 10 March 2021
Dates:
DateEvent
10 March 2021Created
Status: Not Peer Reviewed
Publication Status: Published
Media of Output (format): .csv .gz
Access rights to Published version: Open Access (Creative Commons)
Copyright Holders: University of Warwick
Description:

Data record consists of raw data in csv format and gzip archives.

RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
BoostCrop 828753[ERC] Horizon 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 Fellowship[RS] Royal 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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Contributors:
ContributionNameContributor ID
Contact PersonStavros, Vasilios G.13010

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