In vivo confocal Raman spectroscopy and molecular dynamics analysis of penetration of retinyl acetate into stratum corneum
Autor(a) principal: | |
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Data de Publicação: | 2017 |
Outros Autores: | , , , , , |
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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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 |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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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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1799132620603260928 |