Solubilization of aromatics in aqueous bile salts. IV—Two‐dimensional 1H NMR study on intra‐ and inter‐molecular interactions in aromatic solubilizate–cholate systems

Abstract

AbstractSolubilization of aromatics in aqueous bile salts was studied by two‐dimensional (2D) nuclear Overhauser enhancement spectroscopy (NOESY) for three model systems: benzene, anisole and veratrole solubilized in aqueous sodium cholate. The observed intra‐ and inter‐molecular cross‐relaxation properties are discussed in terms of different solubilization sites available for different solubilizates. The cholate anions located in the micelles seem to maintain their intramolecular cross‐relaxation characteristics during the mixed micelle formation. A molecular mechanical calculation of the cholate anion was performed in order to determine the non‐bonded internuclear distances between the NOE‐connected nuclei.