Investigation of the probability of occurrence of denaturation bubbles during 2H/1H exchange in a DNA molecule
UDC
51-76; 53.01DOI:
https://doi.org/10.31429/vestnik-18-3-46-55Abstract
In this work, the role of single substitutions of protium for deuterium in the formation of bubbles was investigated using the methods of mathematical modeling. It is shown that the probability of the formation of bubbles of a certain length (from 8 to 27 nucleotides) depends on the localization of the deuterium atom in the DNA molecule and can differ significantly from the probability of the appearance of open states in general. It should be noted that, although in most cases the differences in the occurrence of open states in deuterium-free DNA in comparison with the same molecule, which includes a single 2H/1H substitution, is when exposed to Ecr (in the range from 270 to 290 10-25 Nm) a fairly low value: the maximum increase in the number of open states was about 4.1% (when replacing hydrogen isotopes in the 301st pair of nitrogenous bases), a decrease in the number of open states was observed by less than 2.7 % (when replacing hydrogen isotopes in 20th pair of nitrogenous bases); the change in the probability of occurrence of DNA bubbles of various lengths, in turn, was already a significantly more significant value: a decrease to 83% and an increase to 71% when replacing hydrogen isotopes in the 284th and 376th pairs of nitrogenous bases, respectively.Keywords:
deuterium, mathematical modeling of open states of DNA, DNA, bubbles of denture, hydrogen bondAcknowledgement
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Copyright (c) 2021 Elkina A.A., Malyshko V.V., Gerasimenko E.O., Litvinov D.A., Goldobin I.N., Dzhimak S.S.
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