Hydroxyl Radical (OH) Reaction with Guanine in an Aqueous Environment: A DFT Study

A Kumar, V Pottiboyina, MD Sevilla - The Journal of Physical …, 2011 - ACS Publications
The reaction of hydroxyl radical (OH•) with DNA accounts for about half of radiation-induced
DNA damage in living systems. Previous literature reports point out that the reaction of OH• …

Mechanisms of Formation of 8-Oxoguanine Due To Reactions of One and Two OH Radicals and the H2O2 Molecule with Guanine:  A Quantum Computational …

NR Jena, PC Mishra - The journal of physical chemistry B, 2005 - ACS Publications
Mechanisms of formation of the mutagenic product 8-oxoguanine (8OG) due to reactions of
guanine with two separate OH• radicals and with H2O2 were investigated at the B3LYP/6 …

Guanosine+ oh radical reaction in aqueous solution: A reinterpretation of the uv− vis data based on thermodynamic and kinetic calculations

A Galano, JR Alvarez-Idaboy - Organic letters, 2009 - ACS Publications
Thermodynamic and kinetic calculations have been used to reinterpret the UV− vis data
related to the OH radical oxidation of guanosine. The main channel of reaction (70− 75%) is …

Theoretical study of the addition and abstraction reactions of hydroxyl radical with uracil

KP Prasanthkumar, CH Suresh… - Radiation Physics and …, 2012 - Elsevier
The addition as well as abstraction reactions of hydroxyl radical (OH) with the nucleic acid
base, uracil (U), in the gas phase has been explored at the B3LYP/6-31+ G (d, p) level of …

Protection against radiation-induced DNA damage by amino acids: a DFT study

NR Jena, PC Mishra, S Suhai - The Journal of Physical Chemistry …, 2009 - ACS Publications
Direct and indirect radiation-induced DNA damage is associated with the formation of
radical cations (G•+) and radical anions (G•−) of guanine, respectively. Deprotonation of G•+ …

Computational study of the deamination of 8-oxoguanine

KM Uddin, RA Poirier - The Journal of Physical Chemistry B, 2011 - ACS Publications
Oxidation of guanine in DNA yields the nucleobase damage product 8-oxoguanine (8-
oxoG), whose further oxidation gives other more stable products. In the present study, the …

Spectral characterization of guanine C4-OH adduct: a radiation and quantum chemical study

SD Phadatare, KKK Sharma, BSM Rao… - The Journal of …, 2011 - ACS Publications
The reaction of hydroxyl radical (• OH) with guanine was investigated under restricted pH
condition (pH 4.6) using pulse radiolysis technique. The time-resolved optical transient …

On the mechanisms of OH radical induced DNA-base damage: A comparative quantum chemical and Car− Parrinello molecular dynamics study

Y Wu, CJ Mundy, ME Colvin, R Car - The Journal of Physical …, 2004 - ACS Publications
Understanding the basic chemistry of the interaction of radicals with DNA bases is
imperative when trying to predict the potential effects of radiation on DNA. Experimental …

Influence of Hydration on Proton Transfer in the Guanine−Cytosine Radical Cation (G•+−C) Base Pair: A Density Functional Theory Study

A Kumar, MD Sevilla - The Journal of Physical Chemistry B, 2009 - ACS Publications
Upon one-electron oxidation, all molecules including DNA bases become more acidic in
nature. For the GC base pair, experiments suggest that a facile proton transfer takes place in …

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 …