Intensities of the Raman bands in the low-frequency spectra of DNA with light and heavy counterions

Details Intensities of the Raman bands in the low-frequency spectra of DNA with light and heavy counterions Intensities of the Raman bands in the low-frequency spectra of DNA with light and heavy counterions

2010-07-02

arxiv.org/abs/1007.0374v1

S.M. Perepelytsya, S.N. Volkov. Intensities of the Raman bands in the low-frequency spectra of DNA with light and heavy counte

Biology

Quantitative Biology

Biomolecules

12 pages, 3 figures

Scientific paper

The approach for calculation of the mode intensities of DNA conformational vibrations in the Raman spectra is developed. It is based on the valence-optic theory and the model for description of conformational vibrations of DNA with counterions. The calculations for Na- and Cs-DNA low-frequency Raman spectra show that the vibrations of DNA backbone chains near 15 cm-1 have the greatest intensity. In the spectrum of Na-DNA at frequency range upper than 40 cm-1 the modes of H-bond stretching in base pairs have the greatest intensities, while the modes of ion-phosphate vibrations have the lowest intensity. In Cs-DNA spectra at this frequency range the mode of ion-phosphate vibrations is prominent. Its intensity is much higher than the intensities of Na-DNA modes of this spectra range. Other modes of Cs-DNA have much lower intensities than in the case of Na-DNA. The comparison of our calculations with the experimental data shows that developed approach gives the understanding of the sensitivity of DNA low-frequency Raman bands to the neutralization of the double helix by light and heavy counterions.

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