Semiflexible polymers: Dependence on ensemble and boundary orientations

We show that the mechanical properties of a worm-like-chain (WLC) polymer, of contour length $L$ and persistence length \l such that t=L/\l\sim{\cal O}(1), depend both on the ensemble and the constraint on end-orientations. In the Helmholtz ensemble, multiple minima in free energy near $t=4$ persists for all kinds of orientational boundary conditions. The qualitative features of projected probability distribution of end to end vector depend crucially on the embedding dimensions. A mapping of the WLC model, to a quantum particle moving on the surface of an unit sphere, is used to obtain the statistical and mechanical properties of the polymer under various boundary conditions and ensembles. The results show excellent agreement with Monte-Carlo simulations.Comment: 15 pages, 15 figures; version accepted for publication in Phys. Rev. E; one new figure and discussions adde

Statistical mechanics of double-stranded semi-flexible polymers

We study the statistical mechanics of double-stranded semi-flexible polymers using both analytical techniques and simulation. We find a transition at some finite temperature, from a type of short range order to a fundamentally different sort of short range order. In the high temperature regime, the 2-point correlation functions of the object are identical to worm-like chains, while in the low temperature regime they are different due to a twist structure. In the low temperature phase, the polymers develop a kink-rod structure which could clarify some recent puzzling experiments on actin.Comment: 4 pages, 3 figures; final version for publication - slight modifications to text and figure

Molecular elasticity and the geometric phase

We present a method for solving the Worm Like Chain (WLC) model for twisting semiflexible polymers to any desired accuracy. We show that the WLC free energy is a periodic function of the applied twist with period 4 pi. We develop an analogy between WLC elasticity and the geometric phase of a spin half system. These analogies are used to predict elastic properties of twist-storing polymers. We graphically display the elastic response of a single molecule to an applied torque. This study is relevant to mechanical properties of biopolymers like DNA.Comment: five pages, one figure, revtex, revised in the light of referee's comments, to appear in PR

A Conformal Field Theory for Eternal Inflation

We study a statistical model defined by a conformally invariant distribution of overlapping spheres in arbitrary dimension d. The model arises as the asymptotic distribution of cosmic bubbles in d+1 dimensional de Sitter space, and also as the asymptotic distribution of bubble collisions with the domain wall of a fiducial "observation bubble" in d+2 dimensional de Sitter space. In this note we calculate the 2-,3-, and 4-point correlation functions of exponentials of the "bubble number operator" analytically in d=2. We find that these correlators, when carefully defined, are free of infrared divergences, covariant under the global conformal group, charge conserving, and transform with positive conformal dimensions that are related in a novel way to the charge. Although by themselves these operators probably do not define a full-fledged conformal field theory, one can use the partition function on a sphere to compute an approximate central charge in the 2D case. The theory in any dimension has a noninteracting limit when the nucleation rate of the bubbles in the bulk is very large. The theory in two dimensions is related to some models of continuum percolation, but it is conformal for all values of the tunneling rate.Comment: 30 pages, 8 figure

Exact theory of kinkable elastic polymers

The importance of nonlinearities in material constitutive relations has long been appreciated in the continuum mechanics of macroscopic rods. Although the moment (torque) response to bending is almost universally linear for small deflection angles, many rod systems exhibit a high-curvature softening. The signature behavior of these rod systems is a kinking transition in which the bending is localized. Recent DNA cyclization experiments by Cloutier and Widom have offered evidence that the linear-elastic bending theory fails to describe the high-curvature mechanics of DNA. Motivated by this recent experimental work, we develop a simple and exact theory of the statistical mechanics of linear-elastic polymer chains that can undergo a kinking transition. We characterize the kinking behavior with a single parameter and show that the resulting theory reproduces both the low-curvature linear-elastic behavior which is already well described by the Wormlike Chain model, as well as the high-curvature softening observed in recent cyclization experiments.Comment: Revised for PRE. 40 pages, 12 figure

Influence of the structural modulations and the Chain-ladder interaction in the Sr_14−xCa_xCu_24O_41Sr\_{14-x}Ca\_{x}Cu\_{24}O\_{41} compounds

We studied the effects of the incommensurate structural modulations on the ladder subsystem of the $Sr\_{14-x}Ca\_{x}Cu\_{24}O\_{41}$ family of compounds using ab-initio explicitly-correlated calculations. From these calculations we derived $t-J$ model as a function of the fourth crystallographic coordinate $\tau$ describing the incommensurate modulations. It was found that in the highly calcium-doped system, the on-site orbital energies are strongly modulated along the ladder legs. On the contrary the two sites of the ladder rungs are iso-energetic and the holes are thus expected to be delocalized on the rungs. Chain-ladder interactions were also evaluated and found to be very negligible. The ladder superconductivity model for these systems is discussed in the light of the present results.Comment: 8 octobre 200

Global hydrodynamic analysis of the molecular flexibility of galactomannans

In the past, intrinsic viscosity and sedimentation velocity analyses have been used separately to assess the conformation and flexibility of guar and locust bean gum galactomannans based on worm-like chain and semi-flexible coil models. Publication of a new global method combining data sets of both intrinsic viscosity and sedimentation coefficient with molecular weight, and minimising a target (error) function now permits a more robust analysis. Using this approach, values for the persistence length of (10 ± 2) nm for guar and (7 ± 1) nm for locust bean gum are returned if the mass per unit length ML is floated as a variable. Using a fixed mass per unit length based on the known compositional data of each galactomannan yields a similar value for Lp in both cases, (8 ± 1) nm for guar and (9 ± 1) nm for locust bean gum, with combined set of data yielding (9 ± 1) nm: within experimental error the flexibilities of both galactomannans are very similar. © 2007 Elsevier Ltd. All rights reserved

Perturbation Theory for Path Integrals of Stiff Polymers

The wormlike chain model of stiff polymers is a nonlinear $\sigma$-model in one spacetime dimension in which the ends are fluctuating freely. This causes important differences with respect to the presently available theory which exists only for periodic and Dirichlet boundary conditions. We modify this theory appropriately and show how to perform a systematic large-stiffness expansions for all physically interesting quantities in powers of $L/\xi$, where $L$ is the length and $\xi$ the persistence length of the polymer. This requires special procedures for regularizing highly divergent Feynman integrals which we have developed in previous work. We show that by adding to the unperturbed action a correction term ${\cal A}^{\rm corr}$, we can calculate all Feynman diagrams with Green functions satisfying Neumann boundary conditions. Our expansions yield, order by order, properly normalized end-to-end distribution function in arbitrary dimensions $d$, its even and odd moments, and the two-point correlation function

Statistical mechanics of semiflexible ribbon polymers

The statistical mechanics of a ribbon polymer made up of two semiflexible chains is studied using both analytical techniques and simulation. The system is found to have a crossover transition at some finite temperature, from a type of short range order to a fundamentally different sort of short range order. In the high temperature regime, the 2-point correlation functions of the object are identical to worm-like chains, while in the low temperature regime they are different due to a twist structure. The crossover happens when the persistence length of individual strands becomes comparable to the thickness of the ribbon. In the low temperature regime, the ribbon is observed to have a novel ``kink-rod'' structure with a mutual exclusion of twist and bend in contrast to smooth worm-like chain behaviour. This is due to its anisotropic rigidity and corresponds to an {\it infinitely} strong twist-bend coupling. The double-stranded polymer is also studied in a confined geometry. It is shown that when the polymer is restricted in a particular direction to a size less than the bare persistence length of the individual strands, it develops zigzag conformations which are indicated by an oscillatory tangent-tangent correlation function in the direction of confinement. Increasing the separation of the confining plates leads to a crossover to the free behaviour, which takes place at separations close to the bare persistence length. These results are expected to be relevant for experiments which involve complexation of two or more stiff or semiflexible polymers.Comment: 20 pages, 11 figures. PRE (in press

Binding of molecules to DNA and other semiflexible polymers

A theory is presented for the binding of small molecules such as surfactants to semiflexible polymers. The persistence length is assumed to be large compared to the monomer size but much smaller than the total chain length. Such polymers (e.g. DNA) represent an intermediate case between flexible polymers and stiff, rod-like ones, whose association with small molecules was previously studied. The chains are not flexible enough to actively participate in the self-assembly, yet their fluctuations induce long-range attractive interactions between bound molecules. In cases where the binding significantly affects the local chain stiffness, those interactions lead to a very sharp, cooperative association. This scenario is of relevance to the association of DNA with surfactants and compact proteins such as RecA. External tension exerted on the chain is found to significantly modify the binding by suppressing the fluctuation-induced interaction.Comment: 15 pages, 7 figures, RevTex, the published versio