Plasma-Induced Destruction of Bacterial Cell Wall Components: A Reactive Molecular Dynamics Simulation

Autor:	Stijn Huygh, Ramses Snoeckx, Annemie Bogaerts, Maksudbek Yusupov, Erik C. Neyts, Adri C. T. van Duin
Rok vydání:	2013
Předmět:	Atmospheric pressure Chemistry Physics Nanotechnology Plasma Bacterial cell structure Surfaces Coatings and Films Electronic Optical and Magnetic Materials Molecular dynamics General Energy Chemical physics Physical and Theoretical Chemistry Engineering sciences. Technology
Zdroj:	The journal of physical chemistry: C : nanomaterials and interfaces
ISSN:	1932-7455 1932-7447
DOI:	10.1021/jp3128516
Popis:	Nonthermal atmospheric pressure plasmas are gaining increasing attention for biomedical applications. However, very little fundamental information on the interaction mechanisms between the plasma species and biological cells is currently available. We investigate the interaction of important plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, with bacterial peptidoglycan by means of reactive molecular dynamics simulations, aiming for a better understanding of plasma disinfection. Our results show that OH, O, O3, and H2O2 can break structurally important bonds of peptidoglycan (i.e., CO, CN, or CC bonds), which consequently leads to the destruction of the bacterial cell wall. The mechanisms behind these breakups are, however, dependent on the impinging plasma species, and this also determines the effectiveness of the cell wall destruction.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f18160920409d31bee4d6130f3100580 https://doi.org/10.1021/jp3128516 Zobrazit plný text záznamu