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W. M. Gelbart

Publications and source records attributed to W. M. Gelbart.

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Elasticity Theory and Shape Transitions of Viral Shells

Recently, continuum elasticity theory has been applied to explain the shape transition of icosahedral viral capsids - single-protein-thick crystalline shells - from spherical to buckled/faceted as their radius increases through a critical value determined by the competition between stretching and bending energies of a closed 2D elastic network. In the present work we generalize this approach to capsids with non-icosahedral symmetries, e.g., spherocylindrical and conical shells. One key new physical ingredient is the role played by nonzero spontaneous curvature. Another is associated with the special way in which the energy of the twelve topologically-required five-fold sites depends on the background local curvature of the shell in which they are embedded. Systematic evaluation of these contributions leads to a shape phase diagram in which transitions are observed from icosahedral to spherocylindrical capsids as a function of the ratio of stretching to bending energies and of the spontaneous curvature of the 2D protein network. We find that the transition from icosahedral to spherocylindrical symmetry is continuous or weakly first-order near the onset of buckling, leading to extensive shape degeneracy. These results are discussed in the context of experimentally observed variations in the shapes of a variety of viral capsids.

physics.bio-ph

Measuring the force ejecting DNA from phage

We discuss how a balance can be established between the force acting to eject DNA from viral capsids and the force resisting its entry into a colloidal suspension which mimics the host cell cytoplasm. The ejection force arises from the energy stored in the capsid as a consequence of the viral genome (double-stranded DNA) being strongly bent and crowded on itself. The resisting force is associated with the osmotic pressure exerted by the colloidal particles in the host solution. Indeed, recent experimental work has demonstrated that the extent of ejection can be progressively limited by increasing the external osmotic pressure; at a sufficiently high pressure the ejection is completely suppressed. We outline here a theoritical analysis that allows a determination of the internal (capsid) pressure by examining the different relations between force and pressure inside and outside the capsid, using the experimentally measured position of the force balance.

physics.bio-ph

Semi-flexible chain condensation by neutral depleting agents: role of correlations between depletants

We revisit the problem of semi-flexible chain condensation by neutral depleting agents (e.g. colloidal spheres or flexible polymers) by using a simple formalism that allows us to address its main features without specifying the kind of depleting agents. Correlations between depleting agents are shown to produce a reswelling of the chain at high enough volume fraction, consistent with an earlier analysis by Grosberg et al. (Biopolymers, 21:2413, 1982) in the context of DNA condensation induced by neutral polymers. It is also shown that the conditions under which spherical colloids can condense a semi-flexible chain are strongly restrictive, unlike what has been recently claimed. The formalism allows us to compare the efficiency of colloids vs polymers as condensing agents.

cond-mat.soft

Osmotic force resisting chain insertion in a colloidal suspension

We consider the problem of inserting a stiff chain into a colloidal suspension of particles that interact with it through excluded volume forces. The free energy of insertion is associated with the work of creating a cavity devoid of colloid and sufficiently large to accomodate the chain. The corresponding work per unit length is the force that resists the entry of the chain into the colloidal suspension. In the case of a hard sphere fluid, this work can be calculated straightforwardly within the scaled particle theory; for solutions of flexible polymers, on the other hand, we employ simple scaling arguments. The forces computed in these ways are shown, for nanometer chain and colloid diameters, to be of the order of tens of pN for solution volume fraction for biophysical processes such as the ejection of DNA from viral capsids into the cell cytoplasm.

cond-mat.soft

Electrostatic complexation of spheres and chains under elastic stress

We consider the complexation of highly charged semiflexible polyelectrolytes with oppositely charged macroions. On the basis of scaling arguments we discuss how the resulting complexes depend on the persistence length of the polyelectrolyte, the salt concentration, and the sizes and charges of the chain and the macroions. We study first the case of complexation with a single sphere and calculate the wrapping length of the chain. We then extend our considerations to complexes involving many wrapped spheres and study cooperative effects. The mechanical properties of such a complex under an external deformation are evaluated.

cond-mat.soft

DNA folding: structural and mechanical properties of the two-angle model for chromatin

We present a theoretical analysis of the structural and mechanical properties of the 30-nm chromatin fiber. Our study is based on the two-angle model introduced by Woodcock et al. (Woodcock, C. L., S. A. Grigoryev, R. A. Horowitz, and N. Whitaker. 1993. PNAS 90:9021-9025) that describes the chromatin fiber geometry in terms of the entry-exit angle of the nucleosomal DNA and the rotational setting of the neighboring nucleosomes with respect to each other. We explore analytically the different structures that arise from this building principle, and demonstrate that the geometry with the highest density is close to the one found in native chromatin fibers under physiological conditions. On the basis of this model we calculate mechanical properties of the fiber under stretching. We obtain expressions for the stress-strain characteristics which show good agreement with the results of recent stretching experiments (Cui, Y., and C. Bustamante. 2000. PNAS 97:127-132) and computer simulations (Katritch, V., C. Bustamante, and W. K. Olson. 2000. J. Mol. Biol. 295:29-40), and which provide simple physical insights into correlations between the structural and elastic properties of chromatin.

cond-mat.soft

Polymer reptation and nucleosome repositioning

We consider how beads can diffuse along a chain that wraps them, without becoming displaced from the chain; our proposed mechanism is analogous to the reptation of "stored length" in more familiar situations of polymer dynamics. The problem arises in the case of globular aggregates of proteins (histones) that are wound by DNA in the chromosomes of plants and animals; these beads (nucleosomes) are multiply wrapped and yet are able to reposition themselves over long distances, while remaining bound by the DNA chain.

cond-mat.soft

Elastically-Driven Linker Aggregation between Two Semi-Flexible Polyelectrolytes

The behavior of mobile linkers connecting two semi-flexible charged polymers, such as polyvalent counterions connecting DNA or F-actin chains, is studied theoretically. The chain bending rigidity induces an effective repulsion between linkers at large distances while the inter-chain electrostatic repulsion leads to an effective short range inter-linker attraction. We find a rounded phase transition from a dilute linker gas where the chains form large loops between linkers to a dense disordered linker fluid connecting parallel chains. The onset of chain pairing occurs within the rounded transition.

cond-mat.soft

Organized condensation of worm-like chains

We present results relevant to the equilibrium organization of DNA strands of arbitrary length interacting with a spherical organizing center, suggestive of DNA-histone complexation in nucleosomes. We obtain a rich phase diagram in which a wrapping state is transformed into a complex multi-leafed, rosette structure as the adhesion energy is reduced. The statistical mechanics of the "melting" of a rosette can be mapped into an exactly soluble one-dimensional many-body problem.

cond-mat.soft