Publication
Title
Inactivation of the endotoxic biomolecule lipid A by oxygen plasma species : a reactive molecular dynamics study
Author
Abstract
Reactive molecular dynamics simulations are performed to study the interaction of reactive oxygen species, such as OH, HO2 and H2O2, with the endotoxic biomolecule lipid A of the gram-negative bacterium Escherichia coli. It is found that the aforementioned plasma species can destroy the lipid A, which consequently results in reducing its toxic activity. All bond dissociation events are initiated by hydrogen-abstraction reactions. However, the mechanisms behind these dissociations are dependent on the impinging plasma species, i.e. a clear difference is observed in the mechanisms upon impact of HO2 radicals and H2O2 molecules on one hand and OH radicals on the other hand. Our simulation results are in good agreement with experimental observations.
Language
English
Source (journal)
Plasma processes and polymers. - Weinheim
Publication
Weinheim : 2015
ISSN
1612-8850
Volume/pages
12:2(2015), p. 162-171
ISI
000350275400005
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 04.03.2015
Last edited 12.06.2017
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