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TitleIn vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum
Author(s)Santos, Laurita dos
Téllez S, Claudio A.
Sousa, Mariane P. J.
Azóia, Nuno G.
Cavaco-Paulo, Artur
Martin, Airton A.
Favero, Priscila P.
KeywordsIn vivo confocal Raman spectroscopy
Molecular dynamics
Stratum corneum
Retinyl acetate
Skin penetration
Issue date5-Mar-2017
JournalSpectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
CitationSantos, Laurita dos; Téllez S, Claudio A.; Sousa, Mariane P. J.; Azoia, Nuno G.; Cavaco-Paulo, Artur; Martin, Airton A.; Favero, Priscila P., In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 174, 279-285, 2017
Abstract(s)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 30 min, and retinyl acetate was found up to 20 m 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.
Publisher version
AccessOpen access
Appears in Collections:CEB - Publicações em Revistas/Séries Internacionais / Publications in International Journals/Series

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