Local stress and elastic properties of lipid membranes obtained from elastic energy variation

A theory and computational method are provided for the calculation of lipid membranes elastic parameters, which overcomes the difficulties of the existing approaches and can be applied not only to single-component but also to multi-component membranes. It is shown that the major elastic parameters can be determined as the derivatives of the stress-profile moments with respect to stretching. The more general assumption of the global incompressibility, instead of the local one, is employed, which allows the measurement of the local Poisson's ratio from the response of the stress profile to the isotropic ambient pressure. In the case of the local incompressibility and quadratic energy law, a direct relation between the bending modulus and Gaussian curvature modulus is established

A Model of Lipid Monolayer–Bilayer Fusion of Lipid Droplets and Peroxisomes

Lipid droplets are unique organelles that store neutral lipids encapsulated by the lipid monolayer. In some processes of cellular metabolism, lipid droplets interact with peroxisomes resulting in the fusion of their envelopes and the formation of protrusions of the peroxisome monolayer, called pexopodia. The formation of pexopodia is facilitated by free fatty acids generated during lipolysis within lipid droplets. In this work, we studied the fusion of monolayer and bilayer membranes during the interaction between lipid droplets and peroxisomes. To this end, we built the energy trajectory of this process using the continuum elasticity theory and investigated the molecular details of the fusion structures utilizing molecular dynamics. We divided the fusion process into two stages: formation of a stalk and its consequent expansion into pexopodia. We found that in the considered system, the stalk was energetically more stable and had a lower energy barrier of formation compared to the case of bilayer fusion. The further evolution of the stalk depended on the value of the spontaneous curvature of the membrane in a threshold manner. We attributed the possible expansion of the stalk to the incorporation of free fatty acids into the stalk region. The developed model allowed describing quantitatively the process of monolayer–bilayer fusion

The Effect of Transmembrane Protein Shape on Surrounding Lipid Domain Formation by Wetting

Signal transduction through cellular membranes requires the highly specific and coordinated work of specialized proteins. Proper functioning of these proteins is provided by an interplay between them and the lipid environment. Liquid-ordered lipid domains are believed to be important players here, however, it is still unclear whether conditions for a phase separation required for lipid domain formation exist in cellular membranes. Moreover, membrane leaflets are compositionally asymmetric, that could be an obstacle for the formation of symmetric domains spanning the lipid bilayer. We theoretically show that the presence of protein in the membrane leads to the formation of a stable liquid-ordered lipid phase around it by the mechanism of protein wetting by lipids, even in the absence of conditions necessary for the global phase separation in the membrane. Moreover, we show that protein shape plays a crucial role in this process, and protein conformational rearrangement can lead to changes in the size and characteristics of surrounding lipid domains