Mechanisms of damage to DNA labeled with electrophilic nucleobases induced by ionizing or UV radiation

J Rak, L Chomicz, J Wiczk, K Westphal… - The Journal of …, 2015 - ACS Publications
Hypoxia a hallmark of solid tumors makes hypoxic cells radioresistant. On the other
hand, DNA, the main target of anticancer therapy, is not sensitive to the near UV photons …

Formation of ring-opened and rearranged products of guanine: mechanisms and biological significance

NR Jena, PC Mishra - Free Radical Biology and Medicine, 2012 - Elsevier
DNA damage by endogenous and exogenous agents is a serious concern, as the damaged
products can affect genome integrity severely. Damage to DNA may arise from various …

Enediynes, enyne‐allenes, their reactions, and beyond

E Kraka, D Cremer - Wiley Interdisciplinary Reviews …, 2014 - Wiley Online Library
Enediynes undergo a Bergman cyclization reaction to form the labile 1, 4‐didehy‐
drobenzene (p‐benzyne) biradical. The energetics of this reaction and the related Schreiner …

A theoretical study of hydrogen abstraction reactions in guanosine and uridine

KF Schaltz, SPA Sauer - International Journal of Molecular Sciences, 2023 - mdpi.com
All practically possible hydrogen abstraction reactions for guanosine and uridine have been
investigated through quantum chemical calculations of energy barriers and rate constants …

Kinetics and Thermodynamics of the Reaction between the OH Radical and Adenine: A Theoretical Investigation

BO Milhøj, SPA Sauer - The Journal of Physical Chemistry A, 2015 - ACS Publications
The accessibility of all possible reaction paths for the reaction between the nucleobase
adenine and the• OH radical is investigated through quantum chemical calculations of …

Implicit and explicit solvent models have opposite effects on radiation damage rate constant for thymine

LN Sørensen, SPA Sauer - Advances in Quantum Chemistry, 2022 - Elsevier
Solvation can alter reaction mechanisms through hydrogen bonding, ion–dipole
interactions, and van der Waals forces to mention a few. In the study of radiation damage to …

The effect of solvation on the radiation damage rate constants for adenine

BO Milhøj, SPA Sauer - ChemPhysChem, 2016 - Wiley Online Library
It is well known that water plays an important part in almost all biological systems and that
inclusion of solvation effects might therefore be of utmost importance in studies of radiation …

Consequences of electron attachment to modified nucleosides incorporated into DNA

L Chomicz-Mańka, P Wityk, Ł Golon, M Zdrowowicz… - 2017 - repozytorium.bg.ug.edu.pl
Publication – Consequences of electron attachment to modified nucleosides incorporated
into DNA – University of Gdańsk Skip to main menu Skip to main content Knowledge base …

DFT study of adenine‐uracil base pair damage by OH radical

X Liao, L Diao, L Kou, Z Li, M Li… - Journal of Physical …, 2015 - Wiley Online Library
The hydrogen abstraction and addition reactions of OH radical with A· U base pair have
been explored by using density functional theory (DFT) both in gas phase and in aqueous …

Theoretical study of mechanism and kinetics for the reaction of hydroxyl radical with 2′-deoxycytidine

W Yao, X Ma, S Li, Y Gao, F Nian, L Zhou - Structural Chemistry, 2018 - Springer
The reaction mechanism and kinetics for the abstraction of hydrogen and addition of
hydroxyl radical (OH) to 2′-deoxycytidine have been studied using density functional …