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At least 199 records · Page 11Linked to original sources

Persistent random walk model for transport through thin slabs.

We present a model for transport in multiply scattering media based on a three-dimensional generalization of the persistent random walk. The model assumes that photons move along directions that are parallel to the axes. Although this hypothesis is not realistic, it allows us to solve exactly the problem of multiple scattering propagation in a thin slab. Among other quantities, the transmission probability and the mean transmission time can be calculated exactly. Besides being completely solvable, the model could be used as a benchmark for approximation schemes to multiple light scattering.

Journal Article↗

Random walk models of electron tunneling in a fluctuating medium.

A modified approach to the electron transfer theory in disordered media is discussed by use of continuous time random walk models accounting for medium fluctuations. The models apply to the situations when the bridging medium between the donor and acceptor pair fluctuates changing coupling between intermediate transferring states. Effect of the latter on the long distance electron transfer is discussed pointing out emergence of nonexponential decay kinetics.

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Unbinding of mutually avoiding random walks and two-dimensional quantum gravity.

We analyze the unbinding transition for a two-dimensional lattice polymer in which the constituent strands are mutually avoiding random walks. At low temperatures the strands are bound and form a single self-avoiding walk. We show that unbinding in this model is a strong first order transition. The entropic exponents associated with denaturated loops and end-segment distributions show sharp differences at the transition point and in the high temperature phase. Their values can be deduced from some exact arguments relying on a conformal mapping of copolymer networks into a fluctuating geometry, i.e., in the presence of quantum gravity. An excellent agreement between analytical and numerical estimates is observed for all cases analyzed.

Journal Article↗

Random walks on fractals and stretched exponential relaxation.

Stretched exponential relaxation [exp-(t/tau)(beta(K))] is observed in a large variety of systems but has not been explained so far. Studying random walks on percolation clusters in curved spaces whose dimensions range from 2 to 7, we show that the relaxation is accurately a stretched exponential and is directly connected to the fractal nature of these clusters. Thus we find that in each dimension the decay exponent beta(K) is related to well-known exponents of the percolation theory in the corresponding flat space. We suggest that the stretched exponential behavior observed in many complex systems (polymers, colloids, glasses...) is due to the fractal character of their configuration space.

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Random-walk analysis of displacement statistics of particles in concentrated suspensions of hard spheres.

Mean-squared displacements (MSDs) of colloidal fluids of hard spheres are analyzed in terms of a random walk, an analysis which assumes that the process of structural relaxation among the particles can be described in terms of thermally driven memoryless encounters. For the colloidal fluid in thermodynamic equilibrium the magnitude of the stretching of the MSD is able to be reconciled by a bias in the walk. This description fails for the under-cooled colloidal fluid.

Journal Article↗

A polymer, random walk model for the size-distribution of large DNA fragments after high linear energy transfer radiation.

DNA double-strand breaks (DSBs) produced by densely ionizing radiation are not located randomly in the genome: recent data indicate DSB clustering along chromosomes. Stochastic DSB clustering at large scales, from > 100 Mbp down to < 0.01 Mbp, is modeled using computer simulations and analytic equations. A random-walk, coarse-grained polymer model for chromatin is combined with a simple track structure model in Monte Carlo software called DNAbreak and is applied to data on alpha-particle irradiation of V-79 cells. The chromatin model neglects molecular details but systematically incorporates an increase in average spatial separation between two DNA loci as the number of base-pairs between the loci increases. Fragment-size distributions obtained using DNAbreak match data on large fragments about as well as distributions previously obtained with a less mechanistic approach. Dose-response relations, linear at small doses of high linear energy transfer (LET) radiation, are obtained. They are found to be non-linear when the dose becomes so large that there is a significant probability of overlapping or close juxtaposition, along one chromosome, for different DSB clusters from different tracks. The non-linearity is more evident for large fragments than for small. The DNAbreak results furnish an example of the RLC (randomly located clusters) analytic formalism, which generalizes the broken-stick fragment-size distribution of the random-breakage model that is often applied to low-LET data.

Animals↗

Symmetry-breaking in mammalian cell cohort migration during tissue pattern formation: role of random-walk persistence.

Coordinated, cohort cell migration plays an important role in the morphogenesis of tissue patterns in metazoa. However, individual cells intrinsically move in a random walk-like fashion when studied in vitro. Hence, in the absence of an external orchestrating influence or template, the emergence of cohort cell migration must involve a symmetry-breaking event. To study this process, we used a novel experimental system in which multiple capillary endothelial cells exhibit spontaneous and robust cohort migration in the absence of chemical gradients when cultured on micrometer-scale extracellular matrix islands fabricated using microcontact printing. A computational model suggested that directional persistence of random-walk and dynamic mechanical coupling of adjacent cells are the critical control parameters for this symmetry-breaking behavior that is induced in spatially-constrained cell ensembles. The model predicted our finding that fibroblasts, which exhibit a much shorter motility persistence time than endothelial cells, failed to undergo symmetry breaking or produce cohort migration on the matrix islands. These findings suggest that cells have intrinsic motility characteristics that are tuned to match their role in tissue patterning. Our results underscore the importance of studying cell motility in the context of cell populations, and the need to address emergent features in multicellular organisms that arise not only from cell-cell and cell-matrix interactions, but also from properties that are intrinsic to individual cells.

Animals↗

Phase diffusion and random walk interpretation of electromagnetic scattering.

The relaxation behavior of phase observables for different particle diffusion models is found to establish a ground for radioscience interpretations of coherent backscatter spectra. The characteristic function for a random walk process at twice the incident radiation wave number is associated with the complex amplitude of the scattered field from a medium containing refractive index fluctuations. The phase relaxation function can be connected to the evolution of the characteristic function and may describe the average regression of the scattered field from a spontaneous fluctuation undergoing turbulent mixing. This connection holds when we assume that the stochastic description of particle movements based on a diffusion model is valid. The phase relaxation function, when identified as the generalized susceptibility function of the fluctuation dissipation theorem, is related to the spectral density of the scattered field from steady-state fluctuations.

Journal Article↗

Persistent random walk in a honeycomb structure: light transport in foams.

We study light transport in a honeycomb structure as the simplest two-dimensional model foam. We apply geometrical optics to set up a persistent random walk for the photons. For three special injection angles of 30 degrees, 60 degrees, and 90 degrees relative to a hexagon's edge, we are able to demonstrate by analytical means the diffusive behavior of the photons and to derive their diffusion constants in terms of intensity reflectance, edge length, and velocity of light. Numerical simulations reveal an interesting dependence of the diffusion constant on the injection angle in contrast to the usual assumption that in the diffusive limit the photon has no memory for its initial conditions. Furthermore, for injection angles close to 30 degrees, the diffusion constant does not converge to the value at 30 degrees. We explain this observation in terms of a two-state model.

Journal Article↗

Multispecies annihilating random walk transition at zero branching rate: cluster scaling behavior in a spin model.

Numerical and theoretical studies of a one-dimensional spin model with locally broken spin symmetry are presented. The multispecies annihilating random walk transition found at zero branching rate previously is investigated now concerning the cluster behavior of the underlying spins. Generic power-law behaviors are found, besides the phase transition point, also in the active phase with fulfillment of the hyperscaling law. On the other hand scaling laws connecting bulk and cluster exponents are broken--a possibility in no contradiction with basic scaling assumptions because of the missing absorbing phase.

Journal Article↗

Anomalous continuous-time random-walk spectral diffusion in coherent third-order optical response.

Recursive relations are derived for nonlinear optical response functions of a two-level chromophore with stochastic frequency fluctuations described by a continuous-time random walk. Stationary ensembles are constructed and signatures of anomalous relaxation in the photon echo signal are discussed for a two state jump modulation with a power law waiting time density function psi(t) approximately t(-alpha-1). Stretched exponential decay of the photon echo signal is predicted for 0<alpha<1 and power law asymptotics for 1<alpha<2.

Journal Article↗

A random walk model of skin permeation.

A new mathematical model for permeability of chemicals in aqueous vehicle through skin is presented. The rationale for this model is to represent diffusion by its fundamental molecular mechanism, i.e., random thermal motion. Diffusion is modeled as a two-dimensional random walk through the biphasic (lipid and corneocyte) stratum corneum (SC). This approach permits calculations of diffusion phenomena in a morphologically realistic SC structure. Two concepts are key in the application of the model to the prediction of steady-state skin permeability coefficients: "effective diffusivity" and "effective path length," meaning the diffusivity and thickness of a homogeneous membrane having identical permeation properties as the stratum corneum. Algebraic expressions for these two variables are developed as functions of the molecular weight and octanol-water partition coefficient of the diffusing substance. Combining these with expressions for membrane-vehicle partition coefficient and permeability of the aqueous epidermis enables the calculation of steady-state skin permeability coefficients. The resulting four-parameter algebraic model was regressed against the "Flynn data base" with excellent results (R2 = 0.84: SE = 0.0076; F = 154; N = 94). The model provides insight into the contributions of stratum corneum diffusivity and effective path lengths to overall skin permeability and may prove useful in the prediction of non-steady-state diffusion phenomena.

Diffusion↗

Model of distribution of anticancer agents transplanted into the brain tissue using the random walk method.

A Monte-Carlo approach to analysis of dispersion in the tissue of a locally administered drug is presented. The distribution of a drug in the tissue is simulated as a distribution of randomly walking particles. The approach is demonstrated on a simple situation for which both experimental results and an analytical solution are known. The approach can be used in situations, where common numeric methods are difficult to use, especially for analyses of drug transport in an inhomogeneous space, and problems with complex boundary conditions, e.g. in analyses of dispersion of anticancer agents locally applied into tumours.

Animals↗

Random walks of molecular motors arising from diffusional encounters with immobilized filaments.

Movements of molecular motors on cytoskeletal filaments are described by directed walks on a line. Detachment from this line is allowed to occur with a small probability. Motion in the surrounding fluid is described by symmetric random walks. Effects of detachment and reattachment are calculated by an analytical solution of the master equation in two and three dimensions. Results are obtained for the fraction of bound motors, their average velocity, displacement, and dispersion. The analytical results are in good agreement with results from Monte Carlo simulations and confirm the behavior predicted by scaling arguments. The diffusion coefficient parallel to the filament becomes anomalously large since detachment and subsequent reattachment, in the presence of directed motion of the bound motors, leads to a broadening of the density distribution. The occurrence of protofilaments on a microtubule is modeled by internal states of the binding sites. After a transient time, all protofilaments become equally populated.

Adsorption↗

Conformer selection and differential restriction of ligand mobility by a plant lectin--conformational behaviour of Galbeta1-3GlcNAcbeta1-R, Galbeta1-3GalNAcbeta1-R and Galbeta1-2Galbeta1-R' in the free state and complexed with galactoside-specific mistletoe lectin as revealed by random-walk and conformational-clustering molecular-mechanics.

To study conformational parameters of ligands before and after complex formation with the galactoside-binding agglutinin of Viscum album L. (VAA) in solution, combined computer-assisted random walk molecular mechanics (RAMM) calculations extended by conformational clustering analysis (CCA), molecular dynamics (MD) simulations as well as two-dimensional rotating-frame nuclear Overhauser effect (ROE) and two-dimensional nuclear Overhauser effect (NOE) spectroscopy NMR experiments were employed. Derivatives of the naturally occurring disaccharides Galbeta1-3GlcNAcbeta1-R and Galbeta1-3GalNAcbeta1-R as well as of a synthetic high-affinity binding partner, i.e. the disaccharide Galbeta1-2Galbeta1-R', were chosen as ligands in this study. The disaccharides displayed inherent flexibility in the valley of the global minimum between phi/psi combinations of (40 degrees/60 degrees) and (40 degrees/-60 degrees). Calculations of the de-N-acetylated sugars revealed that presence of this group did not markedly influence the distribution of low-energy conformers in the phi, psi, epsilon plot. Occupation of side minima at phi/psi (180 degrees/0 degrees) or (0 degrees/180 degrees) is either unlikely or low according to the results of MD simulations and RAMM calculations extended by CCA. Notably, these side minima define conformations which are not stable during a MD simulation. Transitions to other minima occur already a few picoseconds after the start of the simulation. NMR experiments of the free-state ligand confirmed the validity of the data sets obtained by the calculations. Following the description of the conformational space in the free-state NMR experiments were performed for these disaccharides complexed with VAA. They yielded two interresidual contacts for Galbeta1-3GlcNAcbeta1-R and Galbeta1-2Galbeta1-R'. The ligand conformations in the complex did not deviate markedly from those of a minimum conformation in the free state. One- and two-dimensional transferred nuclear Overhauser enhancement (TRNOE) experiments at different mixing times excluded the influence of spin-diffusion effects. When the NOE build-up curves in the three studied cases were compared, the residual mobility of the penultimate carbohydrate unit of Galbeta1-3GalNAcbeta1-R was observed to be higher than that of the respective hexopyranose unit of the other two bound ligands. Due to the availability of the conformational parameters of Galbeta1-2Galbeta1-R' in association with a galectin, namely the beta-galactoside-binding protein from chicken liver, it is remarkable to note that this ligand displays different conformations in the binding sites of either the plant or the animal lectin. They correspond to local energy-minimum conformations in the phi,psi, epsilon plot and substantiate differential conformer selection by these two lectins with identical nominal monosaccharide specificity.

Binding Sites↗

Random walks in local dynamics of network losses.

We suggest a model for data losses in a single node (memory buffer) of a packet-switched network (like the Internet) which reduces to one-dimensional discrete random walks with unusual boundary conditions. By construction, the model has critical behavior with a sharp transition from exponentially small to finite losses with increasing data arrival rate. We show that for a finite-capacity buffer at the critical point the loss rate exhibits strong fluctuations and non-Markovian power-law correlations in time, in spite of the Markovian character of the data arrival process.

Journal Article↗

Knots and random walks in vibrated granular chains.

We study experimentally statistical properties of the opening times of knots in vertically vibrated granular chains. Our measurements are in good qualitative and quantitative agreement with a theoretical model involving three random walks interacting via hard-core exclusion in one spatial dimension. In particular, the knot survival probability follows a universal scaling function which is independent of the chain length, with a corresponding diffusive characteristic time scale. Both the large-exit-time and the small-exit-time tails of the distribution are suppressed exponentially, and the corresponding decay coefficients are in excellent agreement with theoretical values.

Journal Article↗

Two-dimensional 109Ag NMR and random-walk simulation studies of silver dynamics in glassy silver ion conductors.

By applying one- and two-dimensional 109Ag NMR, we demonstrate that silver diffusion in silver iodide/silver phosphate glasses is governed by a very broad, continuous distribution of correlation times G(lg tau). As a consequence, over a wide temperature range, the 109Ag NMR spectra can be described by a weighted superposition of a Gaussian and a Lorentzian where these line-shape components result from the slow and the fast silver ions in G(lg tau), respectively. For the 109Ag NMR two-time correlation functions F2(t), measured as a stimulated echo, a very stretched decay to F2SS(t(m)) = 0 is observed. When fitting to a Kohlrausch function, exp[-(t/tau)beta], a stretching parameter beta approximately = 0.2 is found. The temperature dependence of the mean correlation time of silver dynamics is described by an Arrhenius law where the activation energy is consistent with the one reported for the dc conductivity sigma(dc). In addition, it is shown that the effect of complex dynamical processes on NMR multi-time correlation functions can easily be calculated when performing random-walk simulations for schematic models such as the random-barrier model and the random-energy model. Based on these models it is possible to simulate various NMR observables and the mean square displacement, thus revealing the information content of multi-dimensional NMR experiments on solid ion conductors.

Computer Simulation↗