Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session GG01: V: Spectroscopy, Structure and Dynamics II
5:30 AM–7:18 AM,
Wednesday, March 6, 2024
Room: Virtual Room 01
Sponsoring
Unit:
DCP
Chair: Natércia Rodrigues, Instituto Superior Técnico
Abstract: GG01.00006 : The role of Hydrogen Bonding in sunscreen performance*
6:30 AM–6:42 AM
Presenter:
Natércia Rodrigues
(Instituto Superior Técnico)
Authors:
Natércia Rodrigues
(Instituto Superior Técnico)
Vasilios G Stavros
(University of Warwick)
Timothy S Zwier
(Sandia National Laboratories)
Nicholas D Hine
(University of Warwick)
Piyush Mishra
(Purdue University)
Neil C Cole-Filipiak
(Sandia National Laboratories)
Matthew A Turner
(University of Warwick)
Maria A Tesa-Serrate
(Edinburgh Instruments)
Konstantina M Krokidi
(University of Warwick)
Jack M Woolley
(University of Warwick)
Georgia L Thornton
(University of Warwick)
Emily L Holt
(University of Warwick)
Gareth W Richings
(University of Warwick)
Tolga N Karsili
(University of Louisiana)
Michael D Horbury
(University of Warwick)
Michael Staniforth
(University of Warwick)
Yoann Peperstraete
(University of Warwick)
We explore first the case of methyl anthranilate (MA), a precursor to the now discontinued UV filter meradimate, which contains a N–H intramolecular H-bond. Using laser and static spectroscopy techniques, as well as computational studies, we created a detailed account of how the intramolecular H-bond influences MA’s spectroscopic behavior, including its performance within a commercial sunscreen formulation. In addition, we compare these results to equivalent ones for homosalate, a salicylate approved for use in commercial sunscreen formulations worldwide. Instead of the N–H bond in anthranilates, salicylates contain a O–H intramolecular H-bond.
Our work reveals key differences in the spectroscopy and chemical dynamics of anthranilates vs salicylates, with important implications for sunscreen performance. This work further highlights how fundamental science can inform product development in real-life applications.
*The authors acknowledge funding from the Engineering and Physical Sciences Research Council, the Horizon2020 R&I program, and the Leverhulme Trust, amongst others. Full funding details can be found in the associated publications.
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