Aqueous solutions of pyrimidine nucleic acid bases. Solute-solvent interactions

The data previously reported on the enthalpy of hydration, partial molar vo lumes and heat capacities of alkylated pyrimidine nucleic acid bases, e.g, uracil, thymine and cytosine, were correlated with the following structural parameters: molecular volume, volume of solvation shell, accessible molecu lar surface area and its atomic partition as well as and electrostatic pote ntial charge. The simple additivity scheme of group contributions was also taken into consideration. The correlations obtained are presented and discu ssed. The results of the investigations clearly show that polar interaction s are decisive in structuring the water around the solute molecules.