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ABSTRACT The hydrolytic deamination of HOHCytN3+ (paths A and B), and 5-HOHMeCytN3+ (paths C and D) have been explored in the presence of the group. The activation free energy barriers… Click to show full abstract
ABSTRACT The hydrolytic deamination of HOHCytN3+ (paths A and B), and 5-HOHMeCytN3+ (paths C and D) have been explored in the presence of the group. The activation free energy barriers (ΔGs≠) of paths A and C show significant difference, which increases the possibility in differentiating cytosine (Cyt) from 5-methylcytosine (5-MeCyt) under bisulfite conditions. Meanwhile, the calculated rate constants with Wigner tunnelling correction of the rate-limiting step is much lower for path A than for path C, and by extrapolation, the difference between Cyt and 5-MeCyt for both modified pyrimidine base may have a greater chance by bisulfite treatment. GRAPHICAL ABSTRACT
Journal Title: Molecular Physics
Year Published: 2018
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