In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum

Detalhes bibliográficos
Autor(a) principal: Santos, Laurita dos
Data de Publicação: 2017
Outros Autores: Téllez S, Claudio A., Sousa, Mariane P. J., Azóia, Nuno G., Cavaco-Paulo, Artur, Martin, Airton A., Favero, Priscila P.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/1822/43867
Resumo: 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.
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spelling In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneumIn vivo confocal Raman spectroscopyMolecular dynamicsStratum corneumRetinyl acetateSkin penetrationScience & TechnologyObjective 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.C.A. Telléz S. would like to thank Capes/Brazil (88881.068140/2014-01 and 88887.125253/2015-00) for the grant. A.M. Cavaco-Paulo thanks Fapesp/Brazil (2014/05975-2) for the grant.ElsevierUniversidade do MinhoSantos, Laurita dosTéllez S, Claudio A.Sousa, Mariane P. J.Azóia, Nuno G.Cavaco-Paulo, ArturMartin, Airton A.Favero, Priscila P.2017-03-052017-03-05T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/1822/43867engSantos, 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, 20171386-142510.1016/j.saa.2016.11.04227960141http://www.journals.elsevier.com/spectrochimica-acta-part-a-molecular-and-biomolecular-spectroscopyinfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-07-21T12:23:17Zoai:repositorium.sdum.uminho.pt:1822/43867Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T19:16:58.559251Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum
title In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum
spellingShingle In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum
Santos, Laurita dos
In vivo confocal Raman spectroscopy
Molecular dynamics
Stratum corneum
Retinyl acetate
Skin penetration
Science & Technology
title_short In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum
title_full In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum
title_fullStr In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum
title_full_unstemmed In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum
title_sort In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum
author Santos, Laurita dos
author_facet Santos, Laurita dos
Téllez S, Claudio A.
Sousa, Mariane P. J.
Azóia, Nuno G.
Cavaco-Paulo, Artur
Martin, Airton A.
Favero, Priscila P.
author_role author
author2 Téllez S, Claudio A.
Sousa, Mariane P. J.
Azóia, Nuno G.
Cavaco-Paulo, Artur
Martin, Airton A.
Favero, Priscila P.
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidade do Minho
dc.contributor.author.fl_str_mv Santos, Laurita dos
Téllez S, Claudio A.
Sousa, Mariane P. J.
Azóia, Nuno G.
Cavaco-Paulo, Artur
Martin, Airton A.
Favero, Priscila P.
dc.subject.por.fl_str_mv In vivo confocal Raman spectroscopy
Molecular dynamics
Stratum corneum
Retinyl acetate
Skin penetration
Science & Technology
topic In vivo confocal Raman spectroscopy
Molecular dynamics
Stratum corneum
Retinyl acetate
Skin penetration
Science & Technology
description 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.
publishDate 2017
dc.date.none.fl_str_mv 2017-03-05
2017-03-05T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/1822/43867
url http://hdl.handle.net/1822/43867
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Santos, 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
1386-1425
10.1016/j.saa.2016.11.042
27960141
http://www.journals.elsevier.com/spectrochimica-acta-part-a-molecular-and-biomolecular-spectroscopy
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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