Modeling Study of OH Radical-Dominated H-Abstraction Reaction for Understanding Nucleotides Oxidation Induced by Cold Atmospheric Plasmas
Abstract
:1. Introduction
2. Simulation Setup
2.1. Molecular Structure of the Nucleotide
2.2. Generation of CAP and Reactive Species
2.3. Simulation Details
3. Results and Discussion
3.1. The Impact of OH Radicals on Nucleosides
3.1.1. Oxidation of Methyl Group at Thymine
3.1.2. H-Abstraction from Amino Group at Guanine
3.1.3. Strand Breakage Arising from H-Abstraction at C2′ Site of 2-deoxyribose
3.1.4. Base Release Resulting from H-Abstraction at C5′ Site of 2-deoxyribose
3.2. Dose Effects of OH Radical on Nucleobases and Sugar Moiety
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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Jiang, Y.-X.; Chen, Y.; Zhang, Y.-T. Modeling Study of OH Radical-Dominated H-Abstraction Reaction for Understanding Nucleotides Oxidation Induced by Cold Atmospheric Plasmas. Plasma 2024, 7, 498-509. https://doi.org/10.3390/plasma7020026
Jiang Y-X, Chen Y, Zhang Y-T. Modeling Study of OH Radical-Dominated H-Abstraction Reaction for Understanding Nucleotides Oxidation Induced by Cold Atmospheric Plasmas. Plasma. 2024; 7(2):498-509. https://doi.org/10.3390/plasma7020026
Chicago/Turabian StyleJiang, Yu-Xuan, Yang Chen, and Yuan-Tao Zhang. 2024. "Modeling Study of OH Radical-Dominated H-Abstraction Reaction for Understanding Nucleotides Oxidation Induced by Cold Atmospheric Plasmas" Plasma 7, no. 2: 498-509. https://doi.org/10.3390/plasma7020026