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  • Title: Cholesterol shows preference for the interior of polyunsaturated lipid membranes.
    Author: Marrink SJ, de Vries AH, Harroun TA, Katsaras J, Wassall SR.
    Journal: J Am Chem Soc; 2008 Jan 09; 130(1):10-1. PubMed ID: 18076174.
    Abstract:
    Recent neutron scattering experiments showed a striking manifestation of the aversion between polyunsaturated fatty acid (PUFA)-containing lipids and cholesterol. Selectively deuterated cholesterol/ 1,2-diarachidonylphosphatidylcholine (DAPC) samples revealed that the hydroxyl of the sterol resides at the center of the bilayer. Here we use a recently parametrized coarse grain simulation model to shed light on these puzzling experimental observations. Using a simulation setup in close correspondence to the experimental conditions, we reproduce the experimental neutron scattering profiles to a large extent. The simulations allow us to analyze the behavior of cholesterol in detail; we show that the interaction of cholesterol with the PUFA chains of DAPC leads to a fast flip-flop rate for the sterol and an increased preference of the sterol for the unusual location embedded between the monolayer leaflets.
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