Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session Y31: Biological Physics
8:00 AM–10:12 AM,
Friday, March 18, 2022
Room: McCormick Place W-192A
Sponsoring
Unit:
DBIO
Chair: Margaret Cheung, PNNL
Abstract: Y31.00008 : An Atomistic Model Of The Human Stratum Corneum: Permeation Through The Long Periodicity Phase. Effect of a pro-penetrant.
9:48 AM–10:00 AM
Presenter:
Christian Jorgensen
(Georgetown University)
Authors:
Christian Jorgensen
(Georgetown University)
Fabien Léonforte
(L'Oréal Research & Innovation, Aulnay-sous-Bois, France)
Gustavo S Luengo
(L'Oréal Research & Innovation, Aulnay-sous-Bois, France)
Sébastien Gregoire
(L'Oréal Research & Innovation, Aulnay-sous-Bois, France)
Bruno Biatry
(L'Oréal Research & Innovation, Aulnay-sous-Bois, France)
Peter D Olmsted
(Georgetown University)
Ann Detroyer
(L'Oréal Research & Innovation, Aulnay-sous-Bois, France)
Here we present a simulation model of the LPP with a mixture of three ceramides (Ceramides 1, 2, and 3), cholesterol, and lignoceric acid and we investigate whether the use of solute-penetration enhancers (known as pro-penetrant) (ex. dipropylene glycol -DPG-) significantly alter the barrier properties of these skin models. In our model, we find that DPG increases the hydrogen-bonding profile and, by consequence, reduces the lipid diffusivity in the lateral direction (DL) by one order of magnitude. Using multi-microsecond constant-velocity steered molecular dynamics of several solutes (hydrophilic and hydrophobic, …) we expect to be able to construct a chemical profile model of the human stratum corneum of broad applicability in Cosmetics.
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