Title
Reactive molecular dynamics simulations for a better insight in plasma medicineReactive molecular dynamics simulations for a better insight in plasma medicine
Author
Faculty/Department
Faculty of Sciences. Chemistry
Research group
Plasma, laser ablation and surface modeling - Antwerp (PLASMANT)
Publication type
article
Publication
Weinheim,
Subject
Physics
Chemistry
Source (journal)
Plasma processes and polymers. - Weinheim
Volume/pages
11(2014):12, p. 1156-1168
ISSN
1612-8850
ISI
000346034700007
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
In this review paper, we present several examples of reactive molecular dynamics simulations, which contribute to a better understanding of the underlying mechanisms in plasma medicine on the atomic scale. This includes the interaction of important reactive oxygen plasma species with the outer cell wall of both gram-positive and gram-negative bacteria, and with lipids present in human skin. Moreover, as most biomolecules are surrounded by a liquid biofilm, the behavior of these plasma species in a liquid (water) layer is presented as well. Finally, a perspective for future atomic scale modeling studies is given, in the field of plasma medicine in general, and for cancer treatment in particular.
E-info
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