Pulling a polymer out of a potential well and the mechanical unzipping of DNA

Motivated by the experiments on DNA under torsion, we consider the problem of pulling a polymer out of a potential well by a force applied to one of its ends. If the force is less than a critical value, then the process is activated and has an activation energy proportinal to the length of the chain. Above this critical value, the process is barrierless and will occur spontaneously. We use the Rouse model for the description of the dynamics of the peeling out and study the average behaviour of the chain, by replacing the random noise by its mean. The resultant mean-field equation is a nonlinear diffusion equation and hence rather difficult to analyze. We use physical arguments to convert this in to a moving boundary value problem, which can then be solved exactly. The result is that the time $t_{po}$ required to pull out a polymer of $N$ segments scales like $N^2$. For models other than the Rouse, we argue that $t_{po}\sim N^{1+\nu}$Comment: 11 pages, 6 figures. To appear in PhysicalReview

Statistical mechanics of triangulated ribbons

We use computer simulations and scaling arguments to investigate statistical and structural properties of a semiflexible ribbon composed of isosceles triangles. We study two different models, one where the bending energy is calculated from the angles between the normal vectors of adjacent triangles, the second where the edges are viewed as semiflexible polymers so that the bending energy is related to the angles between the tangent vectors of next-nearest neighbor triangles. The first model can be solved exactly whereas the second is more involved. It was recently introduced by Liverpool and Golestanian Phys.Rev.Lett. 80, 405 (1998), Phys.Rev.E 62, 5488 (2000) as a model for double-stranded biopolymers such as DNA. Comparing observables such as the autocorrelation functions of the tangent vectors and the bond-director field, the probability distribution functions of the end-to-end distance, and the mean squared twist we confirm the existence of local twist correlation, but find no indications for other predicted features such as twist-stretch coupling, kinks, or oscillations in the autocorrelation function of the bond-director field.Comment: 10 pages, 13 figures. submitted to PRE, revised versio

Unzipping Dynamics of Long DNAs

The two strands of the DNA double helix can be `unzipped' by application of 15 pN force. We analyze the dynamics of unzipping and rezipping, for the case where the molecule ends are separated and re-approached at constant velocity. For unzipping of 50 kilobase DNAs at less than about 1000 bases per second, thermal equilibrium-based theory applies. However, for higher unzipping velocities, rotational viscous drag creates a buildup of elastic torque to levels above kBT in the dsDNA region, causing the unzipping force to be well above or well below the equilibrium unzipping force during respectively unzipping and rezipping, in accord with recent experimental results of Thomen et al. [Phys. Rev. Lett. 88, 248102 (2002)]. Our analysis includes the effect of sequence on unzipping and rezipping, and the transient delay in buildup of the unzipping force due to the approach to the steady state.Comment: 15 pages Revtex file including 9 figure

Comment on ``Phase ordering in chaotic map lattices with conserved dynamics''

Angelini, Pellicoro, and Stramaglia [Phys. Rev. E {\bf 60}, R5021 (1999), cond-mat/9907149] (APS) claim that the phase ordering of two-dimensional systems of sequentially-updated chaotic maps with conserved ``order parameter'' does not belong, for large regions of parameter space, to the expected universality class. We show here that these results are due to a slow crossover and that a careful treatment of the data yields normal dynamical scaling. Moreover, we construct better models, i.e. synchronously-updated coupled map lattices, which are exempt from these crossover effects, and allow for the first precise estimates of persistence exponents in this case.Comment: 3 pages, to be published in Phys. Rev.

Micromechanics of Single Supercoiled DNA Molecules

Abstract. The theory of the mechanical response of single DNA molecules un-der stretching and twisting stresses is reviewed. Using established results for the the semiflexible polymer including the effect of torsional stress, and for the free energy of plectonemic supercoils, a theory of coexisting plectonemic and extended DNA is con-structed and shown to produce phenomena observed experimentally. Analytical results for DNA extension and torque are presented, and effects of anharmonicities in the plec-tonemic free energy are described. An application of the theory to the problem of torsional-stress-induced cruciform extrusion is also discussed. Key words. DNA, molecular biology, statistical mechanics, polymer physics. AMS(MOS) subject classifications. 82D60, 92C05, 92C40

Conformations of Linear DNA

We examine the conformations of a model for under- and overwound DNA. The molecule is represented as a cylindrically symmetric elastic string subjected to a stretching force and to constraints corresponding to a specification of the link number. We derive a fundamental relation between the Euler angles that describe the curve and the topological linking number. Analytical expressions for the spatial configurations of the molecule in the infinite- length limit were obtained. A unique configuraion minimizes the energy for a given set of physical conditions. An elastic model incorporating thermal fluctuations provides excellent agreement with experimental results on the plectonemic transition.Comment: 5 pages, RevTeX; 6 postscript figure

Theory of High-Force DNA Stretching and Overstretching

Single molecule experiments on single- and double stranded DNA have sparked a renewed interest in the force-extension of polymers. The extensible Freely Jointed Chain (FJC) model is frequently invoked to explain the observed behavior of single-stranded DNA. We demonstrate that this model does not satisfactorily describe recent high-force stretching data. We instead propose a model (the Discrete Persistent Chain, or ``DPC'') that borrows features from both the FJC and the Wormlike Chain, and show that it resembles the data more closely. We find that most of the high-force behavior previously attributed to stretch elasticity is really a feature of the corrected entropic elasticity; the true stretch compliance of single-stranded DNA is several times smaller than that found by previous authors. Next we elaborate our model to allow coexistence of two conformational states of DNA, each with its own stretch and bend elastic constants. Our model is computationally simple, and gives an excellent fit through the entire overstretching transition of nicked, double-stranded DNA. The fit gives the first values for the elastic constants of the stretched state. In particular we find the effective bend stiffness for DNA in this state to be about 10 nm*kbt, a value quite different from either B-form or single-stranded DNAComment: 33 pages, 11 figures. High-quality figures available upon reques

Fluctuating Filaments I: Statistical Mechanics of Helices

We examine the effects of thermal fluctuations on thin elastic filaments with non-circular cross-section and arbitrary spontaneous curvature and torsion. Analytical expressions for orientational correlation functions and for the persistence length of helices are derived, and it is found that this length varies non-monotonically with the strength of thermal fluctuations. In the weak fluctuation regime, the local helical structure is preserved and the statistical properties are dominated by long wavelength bending and torsion modes. As the amplitude of fluctuations is increased, the helix ``melts'' and all memory of intrinsic helical structure is lost. Spontaneous twist of the cross--section leads to resonant dependence of the persistence length on the twist rate.Comment: 5 figure

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

Tops and Writhing DNA

The torsional elasticity of semiflexible polymers like DNA is of biological significance. A mathematical treatment of this problem was begun by Fuller using the relation between link, twist and writhe, but progress has been hindered by the non-local nature of the writhe. This stands in the way of an analytic statistical mechanical treatment, which takes into account thermal fluctuations, in computing the partition function. In this paper we use the well known analogy with the dynamics of tops to show that when subjected to stretch and twist, the polymer configurations which dominate the partition function admit a local writhe formulation in the spirit of Fuller and thus provide an underlying justification for the use of Fuller's "local writhe expression" which leads to considerable mathematical simplification in solving theoretical models of DNA and elucidating their predictions. Our result facilitates comparison of the theoretical models with single molecule micromanipulation experiments and computer simulations.Comment: 17 pages two figure