Shape Transformations of Vesicles Induced by Their Adhesion to Flat Surfaces.

The shape transformations of lipid vesicles induced by the adhesion to a flat surface is investigated. We perform the calculations within the framework of the Helfrich spontaneous curvature model. The calculations were performed for a few values of the reduced volume and the spontaneous curvature. The range of stability for different shapes (oblate, prolate, and stomatocyte) of adhered vesicles is determined. New physical phenomena such as budding induced by the adhesion of vesicles are reported.

Normal red blood cells' shape stabilized by membrane's in-plane ordering.

Red blood cells (RBCs) are present in almost all vertebrates and their main function is to transport oxygen to the body tissues. RBCs' shape plays a significant role in their functionality. In almost all mammals in normal conditions, RBCs adopt a disk-like (discocyte) shape, which optimizes their flow properties in vessels and capillaries. Experimentally measured values of the reduced volume (v) of stable discocyte shapes range in a relatively broad window between v ~ 0.58 and 0.8. However, these observations are not supported by existing theoretical membrane-shape models, which predict that discocytic RBC shape is stable only in a very narrow interval of v values, ranging between v ~ 0.59 and 0.65. In this study, we demonstrate that this interval is broadened if a membrane's in-plane ordering is taken into account. We model RBC structures by using a hybrid Helfrich-Landau mesoscopic approach. We show that an extrinsic (deviatoric) curvature free energy term stabilizes the RBC discocyte shapes. In particular, we show on symmetry grounds that the role of extrinsic curvature is anomalously increased just below the nematic in-plane order-disorder phase transition temperature.

Assembly of Helical Structures in Systems with Competing Interactions under Cylindrical Confinement.

The behavior under confinement of nanoparticles interacting with the short-range attraction and long-range repulsion potential is studied by means of Monte Carlo simulations in the grand canonical ensemble. The study is performed at thermodynamic conditions at which a hexagonal cylindrical phase is the most stable phase in bulk. In these conditions, cylindrical confinement promotes the formation of helical structures whose morphology depends upon both the pore radius and boundary conditions. As the pore radius increases, the fluid undergoes a series of structural transitions going from single to multiple intertwined helices to concentric helical structures. When the pore ends are closed by planar walls, ring and toroidal clusters are formed next to these walls. Dependent upon the cylinder length, molecules away from the pore edges can either keep growing into ring and toroidal aggregates or arrange into helical structures. It is demonstrated that the system behaves in cylindrical confinement in the same way as the block copolymer systems. Such behavior has not been observed for the colloidal systems in cylindrical confinement with only repulsive interactions.

Investigation of Fluid-Fluid and Solid-Solid Phase Separation of Symmetric Nonadditive Hard Spheres at High Density.

We have calculated the values of the critical packing fractions for the mixtures of symmetric nonadditive hard spheres at high densities for small values of the nonadditivity parameter. Calculations have been performed for solid-solid and fluid-fluid demixing transitions. A cluster algorithm for Monte Carlo simulations in a semigrand ensemble was used, and the waste recycling method was applied to improve the accuracy of the calculations. The finite size scaling analysis was employed to compute the critical packing fractions for infinite systems with high accuracy.

Self-consistent theory for systems with mesoscopic fluctuations.

We have developed a theory for inhomogeneous systems that allows for the incorporation of the effects of mesoscopic fluctuations. A hierarchy of equations relating the correlation and direct correlation functions for the local excess [Formula: see text] of the volume fraction of particles ζ has been obtained, and an approximation leading to a closed set of equations for the two-point functions has been introduced for the disordered inhomogeneous phase. We have numerically solved the self-consistent equations for one-dimensional (1D) and three-dimensional (3D) models with short-range attraction and long-range repulsion. Predictions for all of the qualitative properties of the 1D model agree with the exact results, but only semi-quantitative agreement is obtained in the simplest version of the theory. The effects of fluctuations in the two 3D models considered are significantly different, despite the very similar properties of these models in the mean-field approximation. In both cases we obtain the sequence of large-small-large compressibility for increasing ζ. The very small compressibility is accompanied by the oscillatory decay of correlations with correlation lengths that are orders of magnitude larger than the size of particles. In one of the two models considered, the small compressibility becomes very small and the large compressibility becomes very large with decreasing temperature, and eventually van der Waals loops appear. Further studies are necessary in order to determine the nature of the strongly inhomogeneous phase present for intermediate volume fractions in 3D.

Density functional theory for systems with mesoscopic inhomogeneities.

We study the effects of fluctuations on the mesoscopic length scale on systems with mesoscopic inhomogeneities. Equations for the correlation function and for the average volume fraction are derived in the self-consistent Gaussian approximation. The equations are further simplified by postulating the expression for the structure factor consistent with scattering experiments for self-assembling systems. Predictions of the approximate theory are verified by a comparison with the exact results obtained earlier for the one-dimensional lattice model with first-neighbor attraction and third-neighbor repulsion. We find qualitative agreement for the correlation function, the equation of state and the dependence of the chemical potential µ on the volume fraction ζ. Our results confirm also that strong inhomogeneities in the disordered phase are found only in the case of strong repulsion. The inhomogeneities are reflected in an oscillatory decay of the correlation function with a very large correlation length, three inflection points in the [Formula: see text] curve and a compressibility that for increasing ζ takes very large, very small and again very large values.

Cubosome Topologies at Various Particle Sizes and Crystallographic Symmetries.

The nanoparticles built of bicontinuos lyotropic phases of cubic symmetry are studied within the framework of the Landau-Brazovskii functional that correctly predicts the structure of soft monocrystals and thin films of bicontinuos lyotropic phases. A detailed description of the geometry and topology of cubosomes is presented. This level of description of the internal structure of cubosomes is not easily accessible by experimental techniques. I show that the internal structure of the cubosomes may be extremely rich.

Facets of lyotropic liquid crystals.

The bicontinuous lyotropic liquid phases surrounded by the isotropic phase form monocrystals with well-developed facets. We investigate the structure and stability of the facets formed by the bicontinuous phase of Pn3̅m symmetry, at three preferred directions, which are developed on a spherical droplet of Pn3̅m phase surrounded by the isotropic phase. The structure of the facets is obtained by minimization of the Landau-Brazovskii functional with one scalar order parameter.

Symmetry, topology and faceting in bicontinuous lyotropic crystals.

Phase diagrams of phytantriol/ethanol/water and phytantriol/DSPG/ethanol/water systems are explored and experiments on facetings of Pn3m-in-L1 and Im3m-in-L1 crystals are performed. Observed crystal habits do not agree with the Friedel-Donnay-Harker rules. We argue that this paradox can be explained in terms of constraints imposed on Pn3m/L1 and Im3m/L1 interfaces by the bicontinuous topology of the cubic phases. We point out that when free edges of the surfactant bilayer are prohibited at these interfaces, the two labyrinthes separated by the bilayer cannot anymore be equivalent. The corresponding [Formula: see text] and [Formula: see text] symmetry breakings are unveiled by the abnormal facetings.

Separation of components in lipid membranes induced by shape transformation.

Vesicles composed of a two component membrane with each component characterized by different spontaneous curvature are investigated by minimization of the free energy consisting of Helfrich elastic energy and entropy of mixing. The results show that mixing and demixing of membrane components can be induced by elongating a vesicle or changing its volume, if one of the components forms a complex with macromolecules on the outer monolayer. The influence of elastic coefficients on the separation of components is also examined.

Shape transformation of lipid vesicles induced by diffusing macromolecules.

The attachment of macromolecules to the surface of a lipid vesicle may cause its deformations such as budding or creation of cylindrical protrusions. Diffusion of the macromolecules in the membranes may cause its shape transformations. The process of shrinking the protrusions due to diffusion of the macromolecules is investigated. It is assumed that macromolecules modify locally the spontaneous curvature and bending rigidity of the lipid membrane. Both spontaneous curvature and bending rigidities depend on the concentration of membrane components. It has been shown that cylindrical protrusions are created when the macromolecules which induce large spontaneous curvature are accumulated at a piece of the vesicle surface. It has been observed that here the elastic constants influence very little the evolution of the vesicle shape caused by diffusing macromolecules and the most important is the value the spontaneous curvature imposed by the macromolecules.

Diffusion of macromolecules on lipid vesicles.

Diffusion of macromolecules on a surface of lipid vesicles of different reduced volume and geometry is investigated. It is assumed that the macromolecules deform the surface of the vesicles by inducing the spontaneous curvature which is proportional to their concentration. We study how nonuniform distribution of macromolecules is reflected in the shape of the vesicles and how the shape of the vesicles influences the diffusion process.

Field theory for size- and charge-asymmetric primitive model of ionic systems: mean-field stability analysis and pretransitional effects.

The primitive model of ionic systems is investigated within a field-theoretic description for the whole range of diameter-, lambda , and charge, Z ratios of the two ionic species. Two order parameters (OP) are identified. The relation of the OP's to physically relevant quantities is nontrivial. Each OP is a linear combination of the charge density and the number-density waves. Instabilities of the disordered phase associated with the two OP's are determined in the mean-field approximation (MF). In MF a gas-liquid separation occurs for any Z and lambda is not equal to 1 . In addition, an instability with respect to various types of periodic ordering of the two kinds of ions is found. Depending on lambda and Z , one or the other transition is metastable in different thermodynamic states. For sufficiently large size disparity we find a sequence of fluid-crystal-fluid transitions for the increasing volume fraction of ions, in agreement with experimental observations. The instabilities found in MF represent weak ordering of the most probable instantaneous states, and are identified with structural loci associated with pretransitional effects.

Deformations of lipid vesicles induced by attached spherical particles.

Wrapping of a spherical colloidal particle, located inside and outside a lipid vesicle, by the membrane which forms the wall of the vesicle is investigated. The process is studied for vesicles of different geometries: prolate, oblate, stomatocytes. We focus on the bending energy change and shape transformations induced by binding the membrane to the spherical particles. The ground-state shapes of vesicles are calculated within the framework of a Helfrich curvature energy functional.

The interface width of separated two-component lipid membranes.

We study two-component vesicles with coherent domains of the components, where the domains are separated by an interface. The components are characterized by different spontaneous curvatures. No line tension term or interactions between components are included in the model. The influence of the interface width and interface location on the bending energy and shape of the vesicles is studied. How the spontaneous curvature of one component influences the concentration profile is examined. The vesicles of oblate and prolate geometries are investigated.

Phase separation of the Widom-Rowlinson mixture in confined geometry.

The behavior of binary Widom-Rowlinson [J. Chem. Phys. 52, 1670 (1970)] mixture in confined geometry is investigated. The influence of confinement on phase separation is examined. Coexistence curves for the mixture in slitlike pores and pores of complex geometry are calculated in Monte Carlo simulations. Finite size scaling analysis is used to determine precisely the location of critical point for the bulk mixture.

Influence of spontaneous curvature and microtubules on the conformations of lipid vesicles.

The conformations of vesicles deformed by microtubules are studied within the framework of the curvature energy. The phenomenon in which the destruction of a microtubule is followed by the formation of peristaltic shapes on a protrusion created by the microtubule is investigated. The influence of the spontaneous curvature on the conformations of vesicles is examined, and the results are compared to existing experiments. The elastic properties of a vesicle deformed by the microtubule are studied.

Spontaneous curvature induced shape transformations of tubular polymersomes.

The behavior of tubular polymersomes is investigated within the framework of the elastic energy model. The transition from a cylindrical tube to a chain of beads connected by small necks is studied in detail. The evolution of a polymersome shape, resulting from a change of the temperature is modeled by the shape transformations caused by a change of the spontaneous curvature. Good agreement between the experiments and the theoretical calculations is found.