Structural Reorganization of Parallel Actin Bundles by Crosslinking Proteins: Incommensurate States of Twist

We construct a coarse-grained model of parallel actin bundles crosslinked by compact, globular bundling proteins, such as fascin and espin, necessary components of filapodial and mechanosensory bundles. Consistent with structural observations of bundles, we find that the optimal geometry for crosslinking is overtwisted, requiring a coherent structural change of the helical geometry of the filaments. We study the linker-dependent thermodynamic transition of bundled actin filaments from their native state to the overtwisted state and map out the "twist-state'' phase diagram in terms of the availability as well as the flexibility of crosslinker proteins. We predict that the transition from the uncrosslinked to fully-crosslinked state is highly sensitive to linker flexibility: flexible crosslinking smoothly distorts the twist-state of bundled filaments, while rigidly crosslinked bundles undergo a phase transition, rapidly overtwisting filaments over a narrow range of free crosslinker concentrations. Additionally, we predict a rich spectrum of intermediate structures, composed of alternating domains of sparsely-bound (untwisted) and strongly-bound (overtwisted) filaments. This model reveals that subtle differences in crosslinking agents themselves modify not only the detailed structure of parallel actin bundles, but also the thermodynamic pathway by which they form.Comment: Main Text (25 pages, 7 figures) with supporting material (12 pages, 9 figures, 2 tables

Topological Defects in Twisted Bundles of Two-Dimensionally Ordered Filaments

Twisted assemblies of filaments in ropes, cables and bundles are essential structural elements in wide use in macroscopic materials as well as within the cells and tissues of living organisms. We develop the unique, non-linear elastic properties of twisted filament bundles that derive from generic properties of two-dimensional line-ordered materials. Continuum elasticity reveals a formal equivalence between the elastic stresses induced by bundle twist and those induced by the positive curvature in thin, elastic sheets. These geometrically-induced stresses can be screened by 5-fold disclination defects in lattice packing, and we predict a discrete spectrum elastic energy groundstates associated with integer numbers of disclinations in cylindrical bundles. Finally, we show that elastic-energy groundstates are extremely sensitive to defect position in the cross-section, with off-center disclinations driving the entire bundle to buckle, adopting globally writhing configurations.Comment: 4.1 pages; 3 figure

Soft Spheres Make More Mesophases

We use both mean-field methods and numerical simulation to study the phase diagram of classical particles interacting with a hard-core and repulsive, soft shoulder. Despite the purely repulsive interaction, this system displays a remarkable array of aggregate phases arising from the competition between the hard-core and shoulder length scales. In the limit of large shoulder width to core size, we argue that this phase diagram has a number of universal features, and classify the set of repulsive shoulders that lead to aggregation at high density. Surprisingly, the phase sequence and aggregate size adjusts so as to keep almost constant inter-aggregate separation.Comment: 4 pages, 2 included figure

Defects in Crystalline Packings of Twisted Filament Bundles: II. Dislocations and Grain Boundaries

Twisted and rope-like assemblies of filamentous molecules are common and vital structural elements in cells and tissue of living organisms. We study the intrinsic frustration occurring in these materials between the two-dimensional organization of filaments in cross section and out-of-plane interfilament twist in bundles. Using non-linear continuum elasticity theory of columnar materials, we study the favorable coupling of twist-induced stresses to the presence of edge dislocations in the lattice packing of bundles, which leads to a restructuring of the ground-state order of these materials at intermediate twist. The stability of dislocations increases as both the degree of twist and lateral bundle size grow. We show that in ground states of large bundles, multiple dislocations pile up into linear arrays, radial grain boundaries, whose number and length grows with bundle twist, giving rise to a rich class of "polycrystalline" packings.Comment: 10 pages, 7 figure

A Geometric Theory of Diblock Copolymer Phases

We analyze the energetics of sphere-like micellar phases in diblock copolymers in terms of well-studied, geometric quantities for their lattices. We argue that the A15 lattice with Pm3n symmetry should be favored as the blocks become more symmetric and corroborate this through a self-consistent field theory. Because phases with columnar or bicontinuous topologies intervene, the A15 phase, though metastable, is not an equilibrium phase of symmetric diblocks. We investigate the phase diagram of branched diblocks and find thatthe A15 phase is stable.Comment: 4 pages, RevTeX, 3 eps figures include

Braided Bundles and Compact Coils: The Structure and Thermodynamics of Hexagonally-Packed, Chiral Filament Assemblies

Molecular chirality frustrates the two-dimensional assembly of filamentous molecules, a fact that reflects the generic impossibility of imposing a global twisting of layered materials. We explore the consequences of this frustration for hexagonally-ordered assemblies of chiral filaments that are {\it finite} in lateral dimension. Specifically, we employ a continuum-elastic description of cylindrical bundles of filaments, allowing us to consider the most general resistance to and preference for chiral ordering of the assembly. We explore two distinct mechanisms by which chirality at the molecular scale of the filament frustrates the assembly into aggregates. In the first, chiral interactions between filaments impart an overall twisting of filaments around the central axis of the bundle. In the second, we consider filaments that are inherently helical in structure, imparting a writhing geometry to the central axis. For both mechanisms, we find that a thermodynamically-stable state of dispersed bundles of {\it finite} width appears close to, but below, the point of bulk filament condensation. The range of thermodynamic stability of dispersed bundles is sensitive only to the elastic cost and preference for chiral filament packing. The self-limited assembly of chiral filaments has particular implications for a large class of biological molecules -- DNA, filamentous proteins, viruses, bacterial flagella -- which are universally chiral and are observed to form compact bundles under a broad range of conditions.Comment: 15 pages, 8 figure

Interfaces in Diblocks: A Study of Miktoarm Star Copolymers

We study AB$_n$ miktoarm star block copolymers in the strong segregation limit, focussing on the role that the AB interface plays in determining the phase behavior. We develop an extension of the kinked-path approach which allows us to explore the energetic dependence on interfacial shape. We consider a one-parameter family of interfaces to study the columnar to lamellar transition in asymmetric stars. We compare with recent experimental results. We discuss the stability of the A15 lattice of sphere-like micelles in the context of interfacial energy minimization. We corroborate our theory by implementing a numerically exact self-consistent field theory to probe the phase diagram and the shape of the AB interface.Comment: 12 pages, 11 included figure

Possible origins of macroscopic left-right asymmetry in organisms

I consider the microscopic mechanisms by which a particular left-right (L/R) asymmetry is generated at the organism level from the microscopic handedness of cytoskeletal molecules. In light of a fundamental symmetry principle, the typical pattern-formation mechanisms of diffusion plus regulation cannot implement the "right-hand rule"; at the microscopic level, the cell's cytoskeleton of chiral filaments seems always to be involved, usually in collective states driven by polymerization forces or molecular motors. It seems particularly easy for handedness to emerge in a shear or rotation in the background of an effectively two-dimensional system, such as the cell membrane or a layer of cells, as this requires no pre-existing axis apart from the layer normal. I detail a scenario involving actin/myosin layers in snails and in C. elegans, and also one about the microtubule layer in plant cells. I also survey the other examples that I am aware of, such as the emergence of handedness such as the emergence of handedness in neurons, in eukaryote cell motility, and in non-flagellated bacteria.Comment: 42 pages, 6 figures, resubmitted to J. Stat. Phys. special issue. Major rewrite, rearranged sections/subsections, new Fig 3 + 6, new physics in Sec 2.4 and 3.4.1, added Sec 5 and subsections of Sec

Flexible prey handling, preference and a novel capture technique in invasive, sub-adult Chinese mitten crabs

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