Ab Initio and Density Functional Theory (DFT) Studies of Dynamic NMR Shielding Tensors and Vibrational Frequencies of DNA/RNA and Cadmium Oxide (CdO) Nanoparticles Complexes in Human Cancer Cells
نویسنده
چکیده
Equilibrium constants of Cadmium Oxide (CdO) nanoparticles complexes in human cancer cells with DNA/RNA ligands have been studied with biospectroscopic methods such as 1HNMR, 13CNMR, 31PNMR, Attenuated Total Reflectance Fourier Transform Infrared (ATR–FTIR) and FT–Raman spectroscopies in cosolvent systems at 10, 20, 30°C ± 0.5 and 1 mol.dm–3 ionic strength, was maintained using Sodium Chloride (NaCl) and Phosphate buffer [1-27]. The stability constants of the complexes and the resulting free–energy changes are obtained. The results are discussed in terms of effect of solvent on protonation and complexation [28-47].
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