Lipid bilayer phase behavior

About: Lipid bilayer phase behavior is a research topic. Over the lifetime, 4381 publications have been published within this topic receiving 221959 citations.

The structure of the liquid-crystalline phases of lipid-water systems

Abstract: Some simple lipid-water systems have been studied by x-ray scattering techniques, as a function of lipid concentration and temperature. Several liquid-crystalline phases have been found, and their structure has been determined: only one of these is lamellar. In all these phases the hydrocarbon part of the lipid molecules has a disordered, liquid-like structure. One biological phospholipid, a human brain extract, has been studied by the same technique, and two liquid-crystalline phases have been found: a lamellar phase, built up by an ordered sequence of lipid and water planar sheets, and a hexagonal phase, which is a hexagonal array of circular cylinders, each cylinder being a thin water channel covered by the hydrophilic groups of the lipid molecules, the hydrocarbon chains filling the gap between the cylinders. The interpretation of the electron microscope observations of the structure of lipoprotein membranes is discussed, and some possible biological implications are suggested.

Simulation of Water Transport through a Lipid Membrane

Abstract: To obtain insight in the process of water permeation through a lipid membrane, we performed molecular dynamics simulations on a phospholipid (DPPC)/water system with atomic detail. Since the actual process of permeation is too slow to be studied directly, we deduced the permeation rate indirectly via computation of the free energy and diffusion rate profiles of a water molecule across the bilayer. We conclude that the permeation of water through a lipid membrane cannot be described adequately by a simple homogeneous solubility-diffusion model. Both the excess free energy and the diffusion rate strongly depend on the position in the membrane, as a result from the inhomogeneous nature of the membrane. The calculated excess free energy profile has a shallow slope and a maximum height of 26 kJ/mol. The diffusion rate is highest in the middle of the membrane where the lipid density is low. In the interfacial region almost all water molecules are bound by the lipid headgroups, and the diffusion turns out to be 1 order of magnitude smaller. The total transport process is essentially determined by the free energy barrier. The rate-limiting step is the permeation through the dense part of the lipid tails, where the resistance is highest. We found a permeation rate of 7(±3) × 10-2 cm/s at 350 K, comparable to experimental values for DPPC membranes, if corrected for the temperature of the simulation. Taking the inhomogeneity of the membrane into account, we define a new “four-region” model which seems to be more realistic than the “two-phase” solubility-diffusion model.

Bilayer Thickness and Membrane Protein Function: An Energetic Perspective

Abstract: The lipid bilayer component of biological membranes is important for the distribution, organization, and function of bilayer-spanning proteins. This regulation is due to both specific lipid-protein interactions and general bilayer-protein interactions, which modulate the energetics and kinetics of protein conformational transitions, as well as the protein distribution between different membrane compartments. The bilayer regulation of membrane protein function arises from the hydrophobic coupling between the protein's hydrophobic domains and the bilayer hydrophobic core, which causes protein conformational changes that involve the protein/bilayer boundary to perturb the adjacent bilayer. Such bilayer perturbations, or deformations, incur an energetic cost, which for a given conformational change varies as a function of the bilayer material properties (bilayer thickness, intrinsic lipid curvature, and the elastic compression and bending moduli). Protein function therefore is regulated by changes in ...