Investigating partitioning of free versus macrocycle bound guest into a model POPC lipid bilayer

We report on the permeation of free and macrocycle-bound avobenzone across a POPC lipid bilayer through combined neutron reflectometry experiments and molecular dynamics simulations. Results indicate that the p-phosphonated calix[8]arene macrocycle limits the avobenzone penetration into the upper le...

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Detalles Bibliográficos
Autores principales: Kumari, Harshita, Eisenhart, Andrew, Pajoubpong, Jinnipha, Heinrich, Frank, Beck, Thomas L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9052308/
https://www.ncbi.nlm.nih.gov/pubmed/35495443
http://dx.doi.org/10.1039/d0ra02850a
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author Kumari, Harshita
Eisenhart, Andrew
Pajoubpong, Jinnipha
Heinrich, Frank
Beck, Thomas L.
author_facet Kumari, Harshita
Eisenhart, Andrew
Pajoubpong, Jinnipha
Heinrich, Frank
Beck, Thomas L.
author_sort Kumari, Harshita
collection PubMed
description We report on the permeation of free and macrocycle-bound avobenzone across a POPC lipid bilayer through combined neutron reflectometry experiments and molecular dynamics simulations. Results indicate that the p-phosphonated calix[8]arene macrocycle limits the avobenzone penetration into the upper leaflet of the membrane. Hence, it could serve as a useful vehicle for safer formulations.
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spelling pubmed-90523082022-04-29 Investigating partitioning of free versus macrocycle bound guest into a model POPC lipid bilayer Kumari, Harshita Eisenhart, Andrew Pajoubpong, Jinnipha Heinrich, Frank Beck, Thomas L. RSC Adv Chemistry We report on the permeation of free and macrocycle-bound avobenzone across a POPC lipid bilayer through combined neutron reflectometry experiments and molecular dynamics simulations. Results indicate that the p-phosphonated calix[8]arene macrocycle limits the avobenzone penetration into the upper leaflet of the membrane. Hence, it could serve as a useful vehicle for safer formulations. The Royal Society of Chemistry 2020-04-17 /pmc/articles/PMC9052308/ /pubmed/35495443 http://dx.doi.org/10.1039/d0ra02850a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Kumari, Harshita
Eisenhart, Andrew
Pajoubpong, Jinnipha
Heinrich, Frank
Beck, Thomas L.
Investigating partitioning of free versus macrocycle bound guest into a model POPC lipid bilayer
title Investigating partitioning of free versus macrocycle bound guest into a model POPC lipid bilayer
title_full Investigating partitioning of free versus macrocycle bound guest into a model POPC lipid bilayer
title_fullStr Investigating partitioning of free versus macrocycle bound guest into a model POPC lipid bilayer
title_full_unstemmed Investigating partitioning of free versus macrocycle bound guest into a model POPC lipid bilayer
title_short Investigating partitioning of free versus macrocycle bound guest into a model POPC lipid bilayer
title_sort investigating partitioning of free versus macrocycle bound guest into a model popc lipid bilayer
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9052308/
https://www.ncbi.nlm.nih.gov/pubmed/35495443
http://dx.doi.org/10.1039/d0ra02850a
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