Stretching an heteropolymer

We study the influence of some quenched disorder in the sequence of monomers on the entropic elasticity of long polymeric chains. Starting from the Kratky-Porod model, we show numerically that some randomness in the favoured angles between successive segments induces a change in the elongation versus force characteristics, and this change can be well described by a simple renormalisation of the elastic constant. The effective coupling constant is computed by an analytic study of the low force regime.Comment: Latex, 7 pages, 3 postscript figur

Size, shape, and flexibility of RNA structures

Determination of sizes and flexibilities of RNA molecules is important in understanding the nature of packing in folded structures and in elucidating interactions between RNA and DNA or proteins. Using the coordinates of the structures of RNA in the Protein Data Bank we find that the size of the folded RNA structures, measured using the radius of gyration, $R_G$, follows the Flory scaling law, namely, $R_G =5.5 N^{1/3}$ \AA where N is the number of nucleotides. The shape of RNA molecules is characterized by the asphericity $\Delta$ and the shape $S$ parameters that are computed using the eigenvalues of the moment of inertia tensor. From the distribution of $\Delta$, we find that a large fraction of folded RNA structures are aspherical and the distribution of $S$ values shows that RNA molecules are prolate ($S>0$). The flexibility of folded structures is characterized by the persistence length $l_p$. By fitting the distance distribution function $P(r)$ to the worm-like chain model we extracted the persistence length $l_p$. We find that $l_p\approx 1.5 N^{0.33}$ \AA. The dependence of $l_p$ on $N$ implies the average length of helices should increases as the size of RNA grows. We also analyze packing in the structures of ribosomes (30S, 50S, and 70S) in terms of $R_G$, $\Delta$, $S$, and $l_p$. The 70S and the 50S subunits are more spherical compared to most RNA molecules. The globularity in 50S is due to the presence of an unusually large number (compared to 30S subunit) of small helices that are stitched together by bulges and loops. Comparison of the shapes of the intact 70S ribosome and the constituent particles suggests that folding of the individual molecules might occur prior to assembly.Comment: 28 pages, 8 figures, J. Chem. Phys. in pres

The Errors of Karen Franklin's Pretextuality

In her recent article, Hebephilia: Quintessence of Diagnostic Pretextuality (published in Behavioral Sciences and the Law, 2010), Karen Franklin expands on her previous argument that psychologists and psychiatrists should not diagnose as abnormal hebephilia, the sexual preference for early pubescent children. She supports her argument with a series of claims about the contents of the empirical literature and the scientists who produced it. The present document provides fact-checking of those claims, revealing that Franklin's conclusions are based largely on demonstrable falsehoods

A new geometric invariant on initial data for Einstein equations

For a given asymptotically flat initial data set for Einstein equations a new geometric invariant is constructed. This invariant measure the departure of the data set from the stationary regime, it vanishes if and only if the data is stationary. In vacuum, it can be interpreted as a measure of the total amount of radiation contained in the data.Comment: 5 pages. Important corrections regarding the generalization to the non-time symmetric cas

The binary black-hole problem at the third post-Newtonian approximation in the orbital motion: Static part

Post-Newtonian expansions of the Brill-Lindquist and Misner-Lindquist solutions of the time-symmetric two-black-hole initial value problem are derived. The static Hamiltonians related to the expanded solutions, after identifying the bare masses in both solutions, are found to differ from each other at the third post-Newtonian approximation. By shifting the position variables of the black holes the post-Newtonian expansions of the three metrics can be made to coincide up to the fifth post-Newtonian order resulting in identical static Hamiltonians up the third post-Newtonian approximation. The calculations shed light on previously performed binary point-mass calculations at the third post-Newtonian approximation.Comment: LaTeX, 9 pages, to be submitted to Physical Review

Structural, mechanical and thermodynamic properties of a coarse-grained DNA model

We explore in detail the structural, mechanical and thermodynamic properties of a coarse-grained model of DNA similar to that introduced in Thomas E. Ouldridge, Ard A. Louis, Jonathan P.K. Doye, Phys. Rev. Lett. 104 178101 (2010). Effective interactions are used to represent chain connectivity, excluded volume, base stacking and hydrogen bonding, naturally reproducing a range of DNA behaviour. We quantify the relation to experiment of the thermodynamics of single-stranded stacking, duplex hybridization and hairpin formation, as well as structural properties such as the persistence length of single strands and duplexes, and the torsional and stretching stiffness of double helices. We also explore the model's representation of more complex motifs involving dangling ends, bulged bases and internal loops, and the effect of stacking and fraying on the thermodynamics of the duplex formation transition.Comment: 25 pages, 16 figure

Reachability in Parametric Interval Markov Chains using Constraints

Parametric Interval Markov Chains (pIMCs) are a specification formalism that extend Markov Chains (MCs) and Interval Markov Chains (IMCs) by taking into account imprecision in the transition probability values: transitions in pIMCs are labeled with parametric intervals of probabilities. In this work, we study the difference between pIMCs and other Markov Chain abstractions models and investigate the two usual semantics for IMCs: once-and-for-all and at-every-step. In particular, we prove that both semantics agree on the maximal/minimal reachability probabilities of a given IMC. We then investigate solutions to several parameter synthesis problems in the context of pIMCs -- consistency, qualitative reachability and quantitative reachability -- that rely on constraint encodings. Finally, we propose a prototype implementation of our constraint encodings with promising results

Perturbative Solutions of the Extended Constraint Equations in General Relativity

The extended constraint equations arise as a special case of the conformal constraint equations that are satisfied by an initial data hypersurface $Z$ in an asymptotically simple spacetime satisfying the vacuum conformal Einstein equations developed by H. Friedrich. The extended constraint equations consist of a quasi-linear system of partial differential equations for the induced metric, the second fundamental form and two other tensorial quantities defined on $Z$, and are equivalent to the usual constraint equations that $Z$ satisfies as a spacelike hypersurface in a spacetime satisfying Einstein's vacuum equation. This article develops a method for finding perturbative, asymptotically flat solutions of the extended constraint equations in a neighbourhood of the flat solution on Euclidean space. This method is fundamentally different from the `classical' method of Lichnerowicz and York that is used to solve the usual constraint equations.Comment: This third and final version has been accepted for publication in Communications in Mathematical Physic

Master equation approach to DNA-breathing in heteropolymer DNA

After crossing an initial barrier to break the first base-pair (bp) in double-stranded DNA, the disruption of further bps is characterized by free energies between less than one to a few kT. This causes the opening of intermittent single-stranded bubbles. Their unzipping and zipping dynamics can be monitored by single molecule fluorescence or NMR methods. We here establish a dynamic description of this DNA-breathing in a heteropolymer DNA in terms of a master equation that governs the time evolution of the joint probability distribution for the bubble size and position along the sequence. The transfer coefficients are based on the Poland-Scheraga free energy model. We derive the autocorrelation function for the bubble dynamics and the associated relaxation time spectrum. In particular, we show how one can obtain the probability densities of individual bubble lifetimes and of the waiting times between successive bubble events from the master equation. A comparison to results of a stochastic Gillespie simulation shows excellent agreement.Comment: 12 pages, 8 figure

Microscopic formulation of the Zimm-Bragg model for the helix-coil transition

A microscopic spin model is proposed for the phenomenological Zimm-Bragg model for the helix-coil transition in biopolymers. This model is shown to provide the same thermophysical properties of the original Zimm-Bragg model and it allows a very convenient framework to compute statistical quantities. Physical origins of this spin model are made transparent by an exact mapping into a one-dimensional Ising model with an external field. However, the dependence on temperature of the reduced external field turns out to differ from the standard one-dimensional Ising model and hence it gives rise to different thermophysical properties, despite the exact mapping connecting them. We discuss how this point has been frequently overlooked in the recent literature.Comment: 11 pages, 2 figure