Computational study of the pH-dependent competition between carbonate and thymine addition to the guanine radical

SP Hebert, HB Schlegel - Chemical Research in Toxicology, 2018 - ACS Publications
When oligonucleotides are oxidized by carbonate radical, thymine and carbonate can add to
guanine radical, yielding either a guanine-thymine cross-link product (G∧ T) or 8-oxo-7, 8 …

Mutagenicity associated with O6-methylguanine-DNA damage and mechanism of nucleotide flipping by AGT during repair

NR Jena, M Bansal - Physical biology, 2011 - iopscience.iop.org
Methylated guanine damage at O6 position (ie O6MG) is dangerous due to its mutagenic
and carcinogenic character that often gives rise to G: C–A: T mutation. However, the reason …

Reactivities of hydroxyl and perhydroxyl radicals toward cytosine and thymine: a comparative study

A Yadav, PC Mishra - International Journal of Quantum …, 2013 - Wiley Online Library
As the hydroxyl (OH) and perhydroxyl (OOH) radicals are known to play important roles in
biological systems, their reactions with cytosine and thymine were studied. Addition …

Urocanic acid as an efficient hydroxyl radical scavenger: a quantum theoretical study

S Tiwari, P Chand Mishra - Journal of molecular modeling, 2011 - Springer
The photoisomerization of urocanic acid (UCA)—which is present in human skin epidermis,
where it acts as a sunscreen—from its trans isomer to its cis isomer upon exposure to UV-B …

DFT mechanistic study on the formation of 8-oxoguanine and spiroiminodihydantoin mediated by iron Fenton reactions

HY Chen, YF Lin - Dalton Transactions, 2021 - pubs.rsc.org
Fenton reactions unavoidably take place in the human body and have been demonstrated to
cause oxidative DNA damage. However, the molecular-level understanding of DNA damage …

Ab initio study of guanine damage by hydroxyl radical

GM Chaban, D Wang, WM Huo - The Journal of Physical …, 2015 - ACS Publications
Multiconfigurational ab initio methods are used in this study to examine two initial reactions
that take place during the OH radical attack of the DNA base guanine: a ring opening …

Is FapyG mutagenic?: Evidence from the DFT study

NR Jena, PC Mishra - ChemPhysChem, 2013 - Wiley Online Library
diamino‐4‐oxo‐5‐formamidopyrimidine (FapyG) is an oxidatively damaged product of
guanine (G), which is mainly formed through metabolic processes that produce OH radicals …

DFT study on addition reaction mechanism of guanine‐cytosine base pair with OH radical

M Li, L Diao, X Liao, L Kou, W Lu - Journal of Physical Organic …, 2015 - Wiley Online Library
The addition reaction mechanism of OH radical with guanine‐cytosine (GC) base pair has
been explored at the B3LYP/DZP++ level of density functional theory (DFT). Structures …

[HTML][HTML] Recurrence of paraproteinemic keratopathy after penetrating keratoplasty and its assessment with confocal microscopy

J Wasielica-Poslednik, A Gericke, A Desuki… - American Journal of …, 2018 - Elsevier
Purpose To report on a case of recurrence of paraproteinemic keratopathy (PPK) associated
with monoclonal gammopathy after bilateral penetrating keratoplasty. Observations …

Carbonate radical anion as an efficient reactive oxygen species: Its reaction with guanyl radical and formation of 8-oxoguanine

A Yadav, PC Mishra - Chemical Physics, 2012 - Elsevier
Mechanisms of reactions of four different tautomers (G (-H1)·, G (-H2a)·, G (-H2b)· and G (-
H9)·) of guanyl radical with carbonate radical anion (CO3.−) producing the mutagenic …