Bayesian inference with information content model check for Langevin equations

The Bayesian data analysis framework has been proven to be a systematic and effective method of parameter inference and model selection for stochastic processes. In this work we introduce an information content model check which may serve as a goodness-of-fit, like the chi-square procedure, to complement conventional Bayesian analysis. We demonstrate this extended Bayesian framework on a system of Langevin equations, where coordinate dependent mobilities and measurement noise hinder the normal mean squared displacement approach.Comment: 10 pages, 7 figures, REVTeX, minor revision

Universality and non-universality of mobility in heterogeneous single-file systems and Rouse chains

We study analytically the tracer particle mobility in single-file systems with distributed friction constants. Our system serves as a prototype for non-equilibrium, heterogeneous, strongly interacting Brownian systems. The long time dynamics for such a single-file setup belongs to the same universality class as the Rouse model with dissimilar beads. The friction constants are drawn from a density $\varrho(\xi)$ and we derive an asymptotically exact solution for the mobility distribution $P[\mu_0(s)]$, where $\mu_0(s)$ is the Laplace-space mobility. If $\varrho$ is light-tailed (first moment exists) we find a self-averaging behaviour: $P[\mu_0(s)]=\delta[\mu_0(s)-\mu(s)]$ with $\mu(s)\propto s^{1/2}$. When $\varrho(\xi)$ is heavy-tailed, $\varrho(\xi)\simeq \xi^{-1-\alpha} \ (0<\alpha<1)$ for large $\xi$ we obtain moments $\langle [\mu_s(0)]^n\rangle \propto s^{\beta n}$ where $\beta=1/(1+\alpha)$ and no self-averaging. The results are corroborated by simulations.Comment: 8 pages, 4 figures, REVTeX, to appear in Physical Review

Dynamics of shape fluctuations of quasi-spherical vesicles revisited

In this paper, the dynamics of spontaneous shape fluctuations of a single, giant quasi-spherical vesicle formed of a single lipid species is revisited theoretically. A coherent physical theory for the dynamics is developed based on a number of fundamental principles and considerations and a systematic formulation of the theory is also established. From the systematic theoretical formulation, an analytical description of the dynamics of shape fluctuations of quasi-spherical vesicles is derived. In particular, in developing the theory we have made a new interpretation of some of the phenomenological constants in a canonical continuum description of fluid lipid-bilayer membranes and shown the consequences of this new interpretation in terms of the characteristics of the dynamics of vesicle shape fluctuations. Moreover, we have used the systematic formulation of our theory as a framework against which we have discussed the previously existing theories and their discrepancies. Finally, we have made a systematic prediction about the system-dependent characteristics of the relaxation dynamics of shape fluctuations of quasi-spherical vesicles with a view of experimental studies of the phenomenon and also discussed, based on our theory, a recently published experimental work on the topic.Comment: 18 pages, 4 figure

Applying a potential across a biomembrane: electrostatic contribution to the bending rigidity and membrane instability

We investigate the effect on biomembrane mechanical properties due to the presence an external potential for a non-conductive non-compressible membrane surrounded by different electrolytes. By solving the Debye-Huckel and Laplace equations for the electrostatic potential and using the relevant stress-tensor we find: in (1.) the small screening length limit, where the Debye screening length is smaller than the distance between the electrodes, the screening certifies that all electrostatic interactions are short-range and the major effect of the applied potential is to decrease the membrane tension and increase the bending rigidity; explicit expressions for electrostatic contribution to the tension and bending rigidity are derived as a function of the applied potential, the Debye screening lengths and the dielectric constants of the membrane and the solvents. For sufficiently large voltages the negative contribution to the tension is expected to cause a membrane stretching instability. For (2.) the dielectric limit, i.e. no salt (and small wavevectors compared to the distance between the electrodes), when the dielectric constant on the two sides are different the applied potential induces an effective (unscreened) membrane charge density, whose long-range interaction is expected to lead to a membrane undulation instability.Comment: 16 pages, 3 figures, some revisio

A solution to the subdiffusion-efficiency paradox: Inactive states enhance reaction efficiency at subdiffusion conditions in living cells

Macromolecular crowding in living biological cells effects subdiffusion of larger biomolecules such as proteins and enzymes. Mimicking this subdiffusion in terms of random walks on a critical percolation cluster, we here present a case study of EcoRV restriction enzymes involved in vital cellular defence. We show that due to its so far elusive propensity to an inactive state the enzyme avoids non-specific binding and remains well-distributed in the bulk cytoplasm of the cell. Despite the reduced volume exploration capability of subdiffusion processes, this mechanism guarantees a high efficiency of the enzyme. By variation of the non-specific binding constant and the bond occupation probability on the percolation network, we demonstrate that reduced non-specific binding are beneficial for efficient subdiffusive enzyme activity even in relatively small bacteria cells. Our results corroborate a more local picture of cellular regulation.Comment: 6 plus epsilon pages, 6 figure

Fitting a function to time-dependent ensemble averaged data

Time-dependent ensemble averages, i.e., trajectory-based averages of some observable, are of importance in many fields of science. A crucial objective when interpreting such data is to fit these averages (for instance, squared displacements) with a function and extract parameters (such as diffusion constants). A commonly overlooked challenge in such function fitting procedures is that fluctuations around mean values, by construction, exhibit temporal correlations. We show that the only available general purpose function fitting methods, correlated chi-square method and the weighted least squares method (which neglects correlation), fail at either robust parameter estimation or accurate error estimation. We remedy this by deriving a new closed-form error estimation formula for weighted least square fitting. The new formula uses the full covariance matrix, i.e., rigorously includes temporal correlations, but is free of the robustness issues, inherent to the correlated chi-square method. We demonstrate its accuracy in four examples of importance in many fields: Brownian motion, damped harmonic oscillation, fractional Brownian motion and continuous time random walks. We also successfully apply our method, weighted least squares including correlation in error estimation (WLS-ICE), to particle tracking data. The WLS-ICE method is applicable to arbitrary fit functions, and we provide a publically available WLS-ICE software.Comment: 47 pages (main text: 15 pages, supplementary: 32 pages

Real sequence effects on the search dynamics of transcription factors on DNA

Recent experiments show that transcription factors (TFs) indeed use the facilitated diffusion mechanism to locate their target sequences on DNA in living bacteria cells: TFs alternate between sliding motion along DNA and relocation events through the cytoplasm. From simulations and theoretical analysis we study the TF-sliding motion for a large section of the DNA-sequence of a common E. coli strain, based on the two-state TF-model with a fast-sliding search state and a recognition state enabling target detection. For the probability to detect the target before dissociating from DNA the TF-search times self-consistently depend heavily on whether or not an auxiliary operator (an accessible sequence similar to the main operator) is present in the genome section. Importantly, within our model the extent to which the interconversion rates between search and recognition states depend on the underlying nucleotide sequence is varied. A moderate dependence maximises the capability to distinguish between the main operator and similar sequences. Moreover, these auxiliary operators serve as starting points for DNA looping with the main operator, yielding a spectrum of target detection times spanning several orders of magnitude. Auxiliary operators are shown to act as funnels facilitating target detection by TFs.Comment: 26 pages, 7 figure

Dissimilar bouncy walkers

We consider the dynamics of a one-dimensional system consisting of dissimilar hardcore interacting (bouncy) random walkers. The walkers' (diffusing particles') friction constants xi_n, where n labels different bouncy walkers, are drawn from a distribution rho(xi_n). We provide an approximate analytic solution to this recent single-file problem by combining harmonization and effective medium techniques. Two classes of systems are identified: when rho(xi_n) is heavy-tailed, rho(xi_n)=A xi_n^(-1-\alpha) (0<alpha<1) for large xi_n, we identify a new universality class in which density relaxations, characterized by the dynamic structure factor S(Q,t), follows a Mittag-Leffler relaxation, and the the mean square displacement of a tracer particle (MSD) grows as t^delta with time t, where delta=alpha/(1+\alpha). If instead rho is light-tailedsuch that the mean friction constant exist, S(Q,t) decays exponentially and the MSD scales as t^(1/2). We also derive tracer particle force response relations. All results are corroborated by simulations and explained in a simplified model.Comment: 11 pages, to appear in Journal of Chemical Physic

Leapover lengths and first passage time statistics for L\'evy flights

Exact results for the first passage time and leapover statistics of symmetric and one-sided Levy flights (LFs) are derived. LFs with stable index alpha are shown to have leapover lengths, that are asymptotically power-law distributed with index alpha for one-sided LFs and, surprisingly, with index alpha/2 for symmetric LFs. The first passage time distribution scales like a power-law with index 1/2 as required by the Sparre Andersen theorem for symmetric LFs, whereas one-sided LFs have a narrow distribution of first passage times. The exact analytic results are confirmed by extensive simulations.Comment: 4 pages, 5 figures, REVTe