Systematic study of the tautomerism of uracil induced by proton transfer. Exploration of water stabilization and mutagenicity

Article Abstract:

A study of structural tautomer interconversion in the gas phase, in a continuum solvent, and in a microhydrated environment with 1 or 2 explicit water molecules was described in order to investigate all the possible tautomerisms from uracil and its enol form induced by proton transfer. Based on the calculated results, the difficulty in detecting the di-enol form of uracil in general experiments is explained.

Mutagenicity testing, Mutagenicity tests, Protons, Proton capture

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Theoretical study of the proton transfer of Uracil and (water) n (n=0-4): water stabilization and mutagenicity for Uracil

Article Abstract:

An investigation of the tautomerism of uracil- (water) n (n=0-4) that is induced by proton transfer is described. Water stabilization and mutagenicity concept may indicate a new mechanism of the origin of the mutagenicity of 5-bromouracil (BrU), which is based on enolization and ionization.

Ionization

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Tautomerism of uracil and 5-bromouracil in a microcosmic environment with water and metal ions

Article Abstract:

The investigation results of the base tautomerization processes of uracil/5-bromouracil in a microcosmic environment with both [H.sub.2]O and [Na.sup.} (W-M environment) revealed uracil to be more stable in the W-M environment than in the microscopic environment with only water.

Water, Metal ions, Chemical properties, Tautomers

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