Contact angles on heterogeneous surfaces; a new look at Cassie's and Wenzel's laws

We consider a three dimensional liquid drop sitting on a rough and chemically heterogeneous substrate. Using a novel minimization technique on the free energy of this system, a generalized Young's equation for the contact angle is found. In certain limits, the Cassie and Wenzel laws, and a new equivalent rule, applicable in general, are derived. We also propose an equation in the same spirit as these results but valid on a more `microscopic' level. Throughout we work under the presence of gravity and keep account of line tension terms.Comment: 10 pages RevTeX, 2 EPS figures. A few minor corrections mad

Wetting between structured surfaces: Liquid bridges and induced forces

Wetting phenomena are theoretically studied for a slab geometry consisting of a wetting phase confined between two chemically patterned substrates. Each of these is decorated by an array of stripes whose composition alternates between two different surface phases. For a single pair of opposing stripes, the wetting phase may either form a bridge spanning from one surface to the other or it may break up into two separate channels. The bridge state induces an effective interaction between the two substrates. This leads to the bridge itself having a preferred contact angle and the substrates having a preferred separation. In the case of many stripes, one has a whole sequence of morphological transitions with the number of bridges decreasing as the surface separation grows

Barrier crossing of semiflexible polymers

We consider the motion of semiflexible polymers in double-well potentials. We calculate shape, energy, and effective diffusion constant of kink excitations, and in particular their dependence on the bending rigidity of the semiflexible polymer. For symmetric potentials, the kink motion is purely diffusive whereas kink motion becomes directed in the presence of a driving force on the polymer. We determine the average velocity of the semiflexible polymer based on the kink dynamics. The Kramers escape over the potential barriers proceeds by nucleation and diffusive motion of kink-antikink pairs, the relaxation to the straight configuration by annihilation of kink-antikink pairs. Our results apply to the activated motion of biopolymers such as DNA and actin filaments or synthetic polyelectrolytes on structured substrates.Comment: 7 pages, 3 figure

B cell activation and affinity discrimination by receptor segregation?

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Domain Growth, Budding, and Fission in Phase Separating Self-Assembled Fluid Bilayers

A systematic investigation of the phase separation dynamics in self-assembled multi-component bilayer fluid vesicles and open membranes is presented. We use large-scale dissipative particle dynamics to explicitly account for solvent, thereby allowing for numerical investigation of the effects of hydrodynamics and area-to-volume constraints. In the case of asymmetric lipid composition, we observed regimes corresponding to coalescence of flat patches, budding, vesiculation and coalescence of caps. The area-to-volume constraint and hydrodynamics have a strong influence on these regimes and the crossovers between them. In the case of symmetric mixtures, irrespective of the area-to-volume ratio, we observed a growth regime with an exponent of 1/2. The same exponent is also found in the case of open membranes with symmetric composition

Phase Transitions in Multicomponent String Model

We propose a one-dimensional model of a string decorated with adhesion molecules (stickers) to mimic multicomponent membranes in restricted geometries. The string is bounded by two parallel walls and it interacts with one of them by short range attractive forces while the stickers are attracted by the other wall. The exact solution of the model in the case of infinite wall separation predicts both continuous and discontinuous transitions between phases characterised by low and high concentration of stickers on the string. Our model exhibits also coexistence of these two phases, similarly to models of multicomponent membranes.Comment: letter, 8 pages, 3 figure

From supported membranes to tethered vesicles: lipid bilayers destabilisation at the main transition

We report results concerning the destabilisation of supported phospholipid bilayers in a well-defined geometry. When heating up supported phospholipid membranes deposited on highly hydrophilic glass slides from room temperature (i.e. with lipids in the gel phase), unbinding was observed around the main gel to fluid transition temperature of the lipids. It lead to the formation of relatively monodisperse vesicles, of which most remained tethered to the supported bilayer. We interpret these observations in terms of a sharp decrease of the bending rigidity modulus $\kappa$ in the transition region, combined with a weak initial adhesion energy. On the basis of scaling arguments, we show that our experimental findings are consistent with this hypothesis.Comment: 11 pages, 3 figure

Coarse-grained molecular model for the glycosylphosphatidylinositol anchor with and without protein

Glycosylphosphatidylinositol (GPI) anchors are a unique class of complex glycolipids that anchor a great variety of proteins to the extracellular leaflet of plasma membranes of eukaryotic cells. These anchors can exist either with or without an attached protein called GPI-anchored protein (GPI-AP) both in vitro and in vivo. Although GPIs are known to participate in a broad range of cellular functions, it is to a large extent unknown how these are related to GPI structure and composition. Their conformational flexibility and micro-heterogeneity makes it difficult to study them experimentally. Simplified atomistic models are amenable to all-atom computer simulations in small lipid bilayer patches, but not suitable for studying their partitioning and trafficking in complex and heterogeneous membranes. Here, we present a coarse-grained model of GPI anchor constructed with a modified version of MARTINI force-field that is suited for modeling carbohydrates, proteins and lipids in an aqueous environment using MARTINI's polarizable water. The non-bonded interactions for sugars were re-parameterized by calculating their partitioning free energies between polar and apolar phases. In addition, sugar-sugar interactions were optimized by adjusting the second virial coefficients of osmotic pressures for solutions of glucose, sucrose and trehalose to match with experimental data. With respect to the conformational dynamics of GPI-anchored green fluoresccent protein, the accessible timescales are now at least an order of magnitude larger than for the all-atom system. This is particularly important for fine-tuning the mutual interactions of lipids, carbohydrates, and amino-acids when comparing to experimental results. We discuss the prospective use of the coarse-grained GPI model for studying protein-sorting and trafficking in membrane models

Hydrodynamic lift on bound vesicles

Bound vesicles subject to lateral forces such as arising from shear flow are investigated theoretically by combining a lubrication analysis of the bound part with a scaling approach to the global motion. A minor inclination of the bound part leads to significant lift due to the additive effects of lateral and tank-treading motions. With increasing shear rate, the vesicle unbinds from the substrate at a critical value. Estimates are in agreement with recent experimental data.Comment: 9 pages, one figur

The unbinding transition of mixed fluid membranes

A phenomenological model for the unbinding transition of multi-component fluid membranes is proposed, where the unbinding transition is described using a theory analogous to Flory-Huggins theory for polymers. The coupling between the lateral phase separation of inclusion molecules and the membrane-substrate distance explains the phase coexistence between two unbound phases as observed in recent experiments by Marx et al. [Phys. Rev. Lett. 88, 138102 (2002)]. Bellow a critical end-point temperature, we find that the unbinding transition becomes first-order for multi-component membranes.Comment: 7 pages, 3 eps figure