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Updated: Mar 10, 2026

Resolving Water, Proteins, and Lipids from In Vivo Confocal Raman Spectra of Stratum Corneum through a Chemometric Approach
Published on: September 26, 2019
In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum
Laurita Dos Santos1, Claudio A Téllez S1, Mariane P J Sousa1
1Laboratory of Biomedical Vibrational Spectroscopy, University of Vale do Paraíba, 12224-000 São José dos Campos, SP, Brazil.
Objective:
The purpose of this study is to elucidate the behavior of retinyl acetate in penetrating human skin without the presence of enhancers by using confocal Raman spectroscopy and molecular dynamics simulation.
Methods:
In this study, in vivo confocal Raman spectroscopy was combined with molecular dynamics simulation to investigate the transdermal permeation of the aqueous suspension of retinyl acetate.
Results:
Permeation was measured after 30min, and retinyl acetate was found up to 20μm deep inside the stratum corneum. The delivery of retinyl acetate inside a skin membrane model was studied by molecular dynamics. The membrane model that was used represented normal young skin containing a lipid bilayer with 25% ceramide, 36% fatty acid, 30% cholesterol, and 6% cholesterol sulfate.
Conclusion:
Spectroscopy data indicate that retinyl acetate permeates into the stratum corneum. Molecular dynamics data showed that retinyl acetate permeates in the membrane model and that their final location is deep inside the lipid bilayer. We showed, for the first time, a correlation between Raman permeation data and computational data.

