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Reactive Molecular Dynamics Simulations for a Better Insight in Plasma Medicine
Author(s) -
Bogaerts Annemie,
Yusupov Maksudbek,
Van der Paal Jonas,
Verlackt Christof C. W.,
Neyts Erik C.
Publication year - 2014
Publication title -
plasma processes and polymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.644
H-Index - 74
eISSN - 1612-8869
pISSN - 1612-8850
DOI - 10.1002/ppap.201400084
Subject(s) - plasma medicine , plasma , biomolecule , molecular dynamics , chemical physics , nanotechnology , reactive oxygen species , atomic units , materials science , chemistry , atmospheric pressure plasma , computational chemistry , physics , biochemistry , quantum mechanics
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.