Molecular organization in the liquid-crystalline phases of lecithin-sodium cholate-water systems studied by nuclear magnetic resonance

Abstract

The molecular organization in the hexagonal and lamellar phases of the ternary systems lecithin--sodium cholate--water has been investigated by using a variety of nuclear magnetic resonance techniques. The main findings and conclusions are the following: (i) When calculated on a mole fraction basis, the phase equilibria are insensitive to changes in the alkyl chains of the lecithin. (ii) When incorporated into a lecithin bilayer, cholate exerts a strong perturbation on the lecithin alkyl chain order, giving a large decrease of the order parameters. (iii) This decrease of the order occurs since the average cross-sectional area per alkyl chain increases probably as a result of cholate placing itself flat on the bilayer surface. (iv) The diffusion of lecithin molecules is approximately equally rapid in the lamellar and hexagonal phases. (v) The hexagonal phase is formed by rodlike aggregates with the polar groups at the surface of the rods and with a continuous hydrocarbon core. The rods are not formed by stacking disklike mixed micelles. (vi) With the interpretations of the molecular packing and the phase structures, the observed phase equilibria are in good agreement with current theories of the factors that govern phase behavior in amphiphile--water systems.

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Molecular Dynamics Simulations of Mixed Micelles Modeling Human Bile

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