Publication
Title
Structural modification of the skin barrier by OH radicals : a reactive molecular dynamics study for plasma medicine
Author
Abstract
While plasma treatment of skin diseases and wound healing has been proven highly effective, the underlying mechanisms, and more generally the effect of plasma radicals on skin tissue, are not yet completely understood. In this paper, we perform ReaxFF-based reactive molecular dynamics simulations to investigate the interaction of plasma generated OH radicals with a model system composed of free fatty acids, ceramides, and cholesterol molecules. This model system is an approximation of the upper layer of the skin (stratum corneum). All interaction mechanisms observed in our simulations are initiated by H-abstraction from one of the ceramides. This reaction, in turn, often starts a cascade of other reactions, which eventually lead to the formation of aldehydes, the dissociation of ceramides or the elimination of formaldehyde, and thus eventually to the degradation of the skin barrier function.
Language
English
Source (journal)
Journal of physics: D: applied physics. - London
Publication
London : 2015
ISSN
0022-3727
Volume/pages
48:15(2015), 12 p.
Article Reference
155202
ISI
000351856600007
Medium
E-only publicatie
Full text (Publisher's DOI)
Full text (open access)
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 31.03.2015
Last edited 14.06.2017
To cite this reference