Analyzing the Strength of the Amine Bond of Guanine: A computational approach*
Presentation Type
Poster Presentation
Mentor/Supervising Professor Name
Andrianarijaona, Vola
Abstract (Description of Research)
The deamination of guanine is an event that can cause single point mutations. In this study, the strength of the amine bond was examined using DFT and B3LYP to map out the bond’s potential curves under conditions of various charges being imposed on the molecule. Such an approach yielded a few potential curves that do not exhibit the expected behavior and rather, show a drop in bond potential energy with increasing bond distance. This aspect of the bond behavior is thought to be associated with the fact that the bond investigated is prone to breaking.
Analyzing the Strength of the Amine Bond of Guanine: A computational approach*
The deamination of guanine is an event that can cause single point mutations. In this study, the strength of the amine bond was examined using DFT and B3LYP to map out the bond’s potential curves under conditions of various charges being imposed on the molecule. Such an approach yielded a few potential curves that do not exhibit the expected behavior and rather, show a drop in bond potential energy with increasing bond distance. This aspect of the bond behavior is thought to be associated with the fact that the bond investigated is prone to breaking.