Tin-DNA Complexes Investigated by Nuclear Inelastic Scattering of Synchrotron Radiation

TL;DR

This study uses nuclear inelastic scattering and DFT simulations to analyze the vibrational dynamics of tin ions bound to DNA, providing insights into their interaction at the molecular level.

Contribution

It introduces a combined experimental and theoretical approach to investigate tin-DNA complexes, highlighting specific binding sites and vibrational characteristics.

Findings

Simulated NIS spectra match experimental data

Identification of binding site configurations

Insights into tin-DNA interaction dynamics

Abstract

Nuclear inelastic scattering (NIS) of synchrotron radiation has been used to investigate the dynamics of tin ions chelated by DNA. Theoretical NIS spectra have been simulated with the help of density functional theory (DFT) calculations using 12 models for different binding sites of the tin ion in (CH3)Sn(DNAPhosphate)2. The simulated spectra are compared with the measured spectrum of the tin-DNA complex.