Effects of Nitro-Oxidative Stress on Biomolecules: Part 2—Reactive Molecular Dynamics Simulations
Zhaonan Chai, Yawei Feng, Tong Zhao, Xiaolong Wang, Maksudbek Yusupov, Maryam Ghasemitarei, Tayebeh Ghorbi, Annemie Bogaerts, Yuantao Zhang
TL;DR
This paper reviews how reactive oxygen species from cold atmospheric plasma modify biomolecules and toxins using molecular dynamics simulations.
Contribution
The study provides atomic-level insights into ROS-induced oxidative reactions and their products in various organic compounds.
Findings
ROS induce dehydrogenation, bond-formation, oxygen-addition, and bond-cleavage reactions in biomolecules.
H2O2 exhibits unique reactivity compared to other ROS species in oxidative modification processes.
The study identifies the role of functional groups and special elements in determining reaction outcomes.
Abstract
In this review article, statistical mechanisms of oxidative modification reactions in various organic compounds under the influence of reactive oxygen species (ROS) generated by cold atmospheric plasma (CAP) are investigated and analyzed based on reactive molecular dynamics (MD) simulations. As an efficient and hygienic advanced oxidation technology, CAP demonstrates tremendous potential in fields such as biomedicine and environmental protection. Through simulations, this paper provides a detailed analysis of the interaction mechanisms between ROS and components of biological tissues and environmental toxins. In this paper, we review the reactions involving four major ROS (OH radicals, O atoms, O3 molecules, and H2O2 molecules) and organic compounds, including proteins, DNA, polysaccharides, fatty acids, antibiotics, and mycotoxins. Atomic-level analysis reveals various oxidative…
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Taxonomy
TopicsPlasma Applications and Diagnostics · Heme Oxygenase-1 and Carbon Monoxide · Plasma Diagnostics and Applications