Theoretical insights into the reaction mechanism of hydroxyl radicals and guanine in G-quadruplex DNA
Y Wang, S Wei - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
A DFT investigation was performed to illuminate the obscure mechanism of hydroxyl radical
(OH˙) and guanine in G-quadruplex by mapping the energy profiles for both addition and …
(OH˙) and guanine in G-quadruplex by mapping the energy profiles for both addition and …
π-vs σ-radical states of one-electron-oxidized DNA/RNA bases: a density functional theory study
A Kumar, MD Sevilla - The Journal of Physical Chemistry B, 2013 - ACS Publications
As a result of their inherent planarity, DNA base radicals generated by one-electron
oxidation/reduction or bond cleavage form π-or σ-radicals. While most DNA base systems …
oxidation/reduction or bond cleavage form π-or σ-radicals. While most DNA base systems …
Mechanisms of scavenging superoxide, hydroxyl, nitrogen dioxide and methoxy radicals by allicin: Catalytic role of superoxide dismutase in scavenging superoxide …
The occurrence of free radicals such as superoxide radical anion (O _ 2^ ⋅-O 2·-), hydroxyl
radical (OH^ ⋅ O·), methoxy radical (OC H _ 3^ ⋅ OC 3·) and nitrogen dioxide radical (NO …
radical (OH^ ⋅ O·), methoxy radical (OC H _ 3^ ⋅ OC 3·) and nitrogen dioxide radical (NO …
Theoretical study of the reaction of chitosan monomer with 2, 3-epoxypropyl-trimethyl quaternary ammonium chloride catalyzed by an imidazolium-based ionic liquid
X Mu, X Yang, D Zhang, C Liu - Carbohydrate polymers, 2016 - Elsevier
The molecular mechanism of the graft reaction of 2, 3-epoxypropyl-trimethyl quaternary
ammonium chloride with chitosan monomer was investigated by performing density …
ammonium chloride with chitosan monomer was investigated by performing density …
Accurate base pair energies of artificially expanded genetic information systems (AEGIS): Clues for their mutagenic characteristics
Recently, several artificial nucleobases, such as B, S, J, V, X, K, P, and Z, have been
proposed to help in the expansion of the genetic information system and diagnosis of …
proposed to help in the expansion of the genetic information system and diagnosis of …
Anti-oxidant activity of 6-gingerol as a hydroxyl radical scavenger by hydrogen atom transfer, radical addition and electron transfer mechanisms
Mechanisms of anti-oxidant action of 6-gingerol as a hydroxyl radical scavenger have been
investigated using the transition state theory within the framework of density functional …
investigated using the transition state theory within the framework of density functional …
Reactivities of radicals of adenine and guanine towards reactive oxygen species and reactive nitrogen oxide species: OH and NO2
N Agnihotri, PC Mishra - Chemical Physics Letters, 2011 - Elsevier
Reactions of radicals of the DNA bases with reactive oxygen species and reactive nitrogen
oxide species produce mutagenic products. We have studied reactivities of all the carbon …
oxide species produce mutagenic products. We have studied reactivities of all the carbon …
Singlet Oxygen Oxidation of the Radical Cations of 8‐Oxo‐2′‐deoxyguanosine and Its 9‐Methyl Analogue: Dynamics, Potential Energy Surface, and Products …
MM Moe, M Tsai, J Liu - ChemPlusChem, 2021 - Wiley Online Library
Oxo‐2′‐deoxyguanosine (OG) is the most common DNA lesion. Notably, OG becomes
more susceptible to oxidative damage than the undamaged nucleoside, forming mutagenic …
more susceptible to oxidative damage than the undamaged nucleoside, forming mutagenic …
One-electron oxidation of neutral sugar radicals of 2′-deoxyguanosine and 2′-deoxythymidine: A density functional theory (DFT) study
A Kumar, V Pottiboyina, MD Sevilla - The Journal of Physical …, 2012 - ACS Publications
One electron oxidation of neutral sugar radicals has recently been suggested to lead to
important intermediates in the DNA damage process culminating in DNA strand breaks. In …
important intermediates in the DNA damage process culminating in DNA strand breaks. In …
Effects of boron/nitrogen/phosphorus doping on the scavenging action of armchair single-walled carbon nanotubes (armchair-SWCNT) for OH radicals: a DFT study
M Malakar, PK Shukla - Carbon Letters, 2023 - Springer
Hydroxyl radical (OH radical) is the most harmful free radical amongst the Reactive Oxygen
Species (ROS) responsible for numerous diseases of DNA damage like mutagenesis …
Species (ROS) responsible for numerous diseases of DNA damage like mutagenesis …