DNA loop statistics and torsional modulus

The modelling of DNA mechanics under external constraints is discussed. Two analytical models are widely known, but disagree for instance on the value of the torsional modulus. The origin of this embarassing situation is located in the concept of writhe. This letter presents a unified model for DNA establishing a relation between the different approaches. I show that the writhe created by the loops of DNA is at the origin of the discrepancy. To take this into account, I propose a new treatment of loop statistics based on numerical simulations using the most general formula for the writhe, and on analytic calculations with only one fit parameter. One can then compute the value of the torsional modulus of DNA without the need of any cut-off.Comment: 8 pages, 1 figure. Accepted by Europhysics Letter

Localization of Denaturation Bubbles in Random DNA Sequences

We study the thermodynamic and dynamic behaviors of twist-induced denaturation bubbles in a long, stretched random sequence of DNA. The small bubbles associated with weak twist are delocalized. Above a threshold torque, the bubbles of several tens of bases or larger become preferentially localized to \AT-rich segments. In the localized regime, the bubbles exhibit ``aging'' and move around sub-diffusively with continuously varying dynamic exponents. These properties are derived using results of large-deviation theory together with scaling arguments, and are verified by Monte-Carlo simulations.Comment: TeX file with postscript figure

Statistical Mechanics of Torque Induced Denaturation of DNA

A unifying theory of the denaturation transition of DNA, driven by temperature T or induced by an external mechanical torque Gamma is presented. Our model couples the hydrogen-bond opening and the untwisting of the helicoidal molecular structure. We show that denaturation corresponds to a first-order phase transition from B-DNA to d-DNA phases and that the coexistence region is naturally parametrized by the degree of supercoiling sigma. The denaturation free energy, the temperature dependence of the twist angle, the phase diagram in the T,Gamma plane and isotherms in the sigma, Gamma plane are calculated and show a good agreement with experimental data.Comment: 5 pages, 3 figures, model improve

Layering transitions for adsorbing polymers in poor solvents

An infinite hierarchy of layering transitions exists for model polymers in solution under poor solvent or low temperatures and near an attractive surface. A flat histogram stochastic growth algorithm known as FlatPERM has been used on a self- and surface interacting self-avoiding walk model for lengths up to 256. The associated phases exist as stable equilibria for large though not infinite length polymers and break the conjectured Surface Attached Globule phase into a series of phases where a polymer exists in specified layer close to a surface. We provide a scaling theory for these phases and the first-order transitions between them.Comment: 4 pages, 4 figure

Periodically driven stochastic un- and refolding transitions of biopolymers

Mechanical single molecule experiments probe the energy profile of biomolecules. We show that in the case of a profile with two minima (like folded/unfolded) periodic driving leads to a stochastic resonance-like phenomenon. We demonstrate that the analysis of such data can be used to extract four basic parameters of such a transition and discuss the statistical requirements of the data acquisition. As advantages of the proposed scheme, a polymeric linker is explicitly included and thermal fluctuations within each well need not to be resolved.Comment: 7 pages, 5 figures, submitted to EP

Comment on "Elasticity Model of a Supercoiled DNA Molecule"

We perform simulations to numerically study the writhe distribution of a stiff polymer. We compare with analytic results of Bouchiat and Mezard (PRL 80 1556- (1998); cond-mat/9706050).Comment: 1 page, 1 figure revtex

Stretching Instability of Helical Spring

We show that when a gradually increasing tensile force is applied to the ends of a helical spring with sufficiently large ratios of radius to pitch and twist to bending rigidity, the end-to-end distance undergoes a sequence of discontinuous stretching transitions. Subsequent decrease of the force leads to step-like contraction and hysteresis is observed. For finite helices, the number of these transitions increases with the number of helical turns but only one stretching and one contraction instability survive in the limit of an infinite helix. We calculate the critical line that separates the region of parameters in which the deformation is continuous from that in which stretching instabilities occur, and propose experimental tests of our predictions.Comment: 5 pages, 4 figure

Real-time detection of cruciform extrusion by single-molecule DNA nanomanipulation

During cruciform extrusion, a DNA inverted repeat unwinds and forms a four-way junction in which two of the branches consist of hairpin structures obtained by self-pairing of the inverted repeats. Here, we use single-molecule DNA nanomanipulation to monitor in real-time cruciform extrusion and rewinding. This allows us to determine the size of the cruciform to nearly base pair accuracy and its kinetics with second-scale time resolution. We present data obtained with two different inverted repeats, one perfect and one imperfect, and extend single-molecule force spectroscopy to measure the torque dependence of cruciform extrusion and rewinding kinetics. Using mutational analysis and a simple two-state model, we find that in the transition state intermediate only the B-DNA located between the inverted repeats (and corresponding to the unpaired apical loop) is unwound, implying that initial stabilization of the four-way (or Holliday) junction is rate-limiting. We thus find that cruciform extrusion is kinetically regulated by features of the hairpin loop, while rewinding is kinetically regulated by features of the stem. These results provide mechanistic insight into cruciform extrusion and help understand the structural features that determine the relative stability of the cruciform and B-form states

Entropic Elasticity of Double-Strand DNA Subject to Simple Spatial Constraints

The aim of the present paper is the study of the entropic elasticity of the dsDNA molecule, having a cristallographic length L of the order of 10 to 30 persistence lengths A, when it is subject to spatial obstructions. We have not tried to obtain the single molecule partition function by solving a Schodringer-like equation. We prefer to stay within a discretized version of the WLC model with an added one-monomer potential, simulating the spatial constraints. We derived directly from the discretized Boltzmann formula the transfer matrix connecting the partition functions relative to adjacent "effective monomers". We have plugged adequate Dirac delta-functions in the functional integral to ensure that the monomer coordinate and the tangent vector are independent variables. The partition function is, then, given by an iterative process which is both numerically efficient and physically transparent. As a test of our discretized approach, we have studied two configurations involving a dsDNA molecule confined between a pair of parallel plates.Comment: The most formal developments of Section I have been moved into an appendix and replaced by a direct derivation of the transfer matrix used in the applications. of Section II. Two paragraphs and two figures have been added to clarify the physical interpretation of the result