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Investigating partitioning of free versus macrocycle bound guest into a model POPC lipid bilayer |
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| Authors: | Harshita Kumari Andrew Eisenhart Jinnipha Pajoubpong Frank Heinrich Thomas L Beck |
| Institution: | James L. Winkle College of Pharmacy, University of Cincinnati, 231 Albert Sabin Way, MSB #3109 C, Cincinnati OH 45267-0514 USA.; Department of Chemistry, University of Cincinnati, Cincinnati Ohio 45221 USA.; Department of Physics, Carnegie Mellon University, Pittsburgh Pennsylvania 15213 USA.; Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg Maryland 20988 USA |
| Abstract: | 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 calix8]arene macrocycle limits the avobenzone penetration into the upper leaflet of the membrane. Hence, it could serve as a useful vehicle for safer formulations.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. |
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