Mobility of nucleobases during hydration of double-stranded polynucleotides in thin films
Keywords:
poly(rA)-poly(rU), poly(rG)-poly(rC), poly(dA)-poly(dT), hydration, resonance interactions, helix angle, mobility, IR spectroscopyAbstract
The known crystal structures and experimental data of IR spectroscopy of double-stranded polynucleotides poly(rA)-poly(rU), poly(rG)-poly(rC) and poly(dA)-poly(dT) are used to calculate the resonance interactions of the stretching carbonyl C=O and intra-ring C=N vibrations of the nucleobases on the basis of the molecular exciton theory. On the basis of the calculation results and the experimental data of the frequency shifts of the Amide absorption bands of the studied nucleotides during their transition from the dehydrated to the fully hydrated state, the mobility of the nucleobases during the hydration-induced conformational transitions has been estimated. It has been shown that the double-stranded nucleobases in the dry state exist in the form, which does not differ much from the double-helical one.
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