Rate constants of dichloride radical anion reactions with molecules of environmental interest in aqueous solution: A review

L Wojnárovits, E Takács - Environmental Science and Pollution Research, 2021 - Springer
Natural waters, water droplets in the air at coastal regions and wastewaters usually contain
chloride ions (Cl-) in relatively high concentrations in the milimolar range. In the reactions of …

Biomolecules of 2-Thiouracil, 4-Thiouracil and 2, 4-Dithiouracil: A DFT Study of the Hydration, Molecular Docking and Effect in DNA: RNAMicrohelixes

M Alcolea Palafox, AM Franklin Benial… - International Journal of …, 2019 - mdpi.com
The molecular structure of 2-thiouracil, 4-thiouracil and 2, 4-dithiouracil was analyzed under
the effect of the first and second hydration shell by using the B3LYP density functional (DFT) …

Rose Bengal-photosensitized oxidation of 4-thiothymidine in aqueous medium: evidence for the reaction of the nucleoside with singlet state oxygen

V Rizzi, I Losito, A Ventrella, P Fini, A Fraix… - Physical Chemistry …, 2015 - pubs.rsc.org
The photoreactivity of 4-thiothymidine (S4TdR) under visible light in the presence of Rose
Bengal (RB), acting as a photosensitizer, was investigated in aqueous solutions at pH 7 and …

An experimental and theoretical study of the kinetics and mechanism of hydroxyl radical reaction with 2-aminopyrimidine

KP Prasanthkumar, JR Alvarez-Idaboy - RSC Advances, 2014 - pubs.rsc.org
Oxidation of 2-aminopyrimidine (2Apy) by hydroxyl radicals (˙ OH) in aqueous medium has
been studied using pulse radiolysis coupled to optical absorption and M05-2X/6-311++ G (d …

Formation of two centre three electron bond by hydroxyl radical induced reaction of thiocoumarin: Evidence from experimental and theoretical studies

RG Shinde, AA Khan, A Barik - Free Radical Research, 2019 - Taylor & Francis
Radiation chemical studies of thioesculetin (1), a thioketone derivative of coumarin, were
performed by both pulse radiolysis technique and DFT calculations. Hydroxyl (• OH) radical …

Contrasting reactions of hydrated electron and formate radical with 2-thio analogues of cytosine and uracil

KP Prasanthkumar, JR Alvarez-Idaboy… - Physical Chemistry …, 2016 - pubs.rsc.org
2-Thiocytosine (TC) and 2-thiouracil (TU) were subjected to hydrated electron (eaq−),
formate radical (CO2˙−) and 2-hydroxypropan-2-yl radical ((CH3) 2˙ COH) reactions in …

A computational study on kinetics, mechanism and thermochemistry of gas-phase reactions of 3-hydroxy-2-butanone with OH radicals

NK Gour, S Gupta, BK Mishra, HJ Singh - Journal of Chemical Sciences, 2014 - Springer
Theoretical investigation has been carried out on the kinetics and reaction mechanism of the
gas-phase reaction of 3-hydroxy-2-butanone (3H2B) with OH radical using dual-level …

Spectral probe for electron transfer and addition reactions of azide radicals with substituted quinoxalin-2-ones in aqueous solutions

K Skotnicki, S Ostrowski, JC Dobrowolski… - International Journal of …, 2021 - mdpi.com
The azide radical (N3●) is one of the most important one-electron oxidants used extensively
in radiation chemistry studies involving molecules of biological significance. Generally, it …

Radiation Induced One-Electron Oxidation of 2-Thiouracil in Aqueous Solutions

K Skotnicki, K Taras-Goslinska, I Janik, K Bobrowski - Molecules, 2019 - mdpi.com
Oxidative damage to 2-thiouracil (2-TU) by hydroxyl (• OH) and azide (● N3) radicals
produces various primary reactive intermediates. Their optical absorption spectra and kinetic …

Synthesis, solid-state structure, and electrochemical properties of thienodipyrimidine-2, 4, 5, 7-tetra (thi) ones

AI Wright, BM Kariuki, YL Wu - Arkivoc, 2023 - orca.cardiff.ac.uk
Thienodipyrimidine-2, 4, 5, 7-tetra (thi) ones were prepared by one-pot photocyclization from
barbituric acid derivatives. The structures of these tricyclic molecules with multiple (thio) …