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At least 1,045 records · Page 58Linked to original sources

Coupled Oscillators with Chemotaxis

A simple coupled oscillator system with chemotaxis is introduced to study morphogenesis of cellular slime molds. The model successfuly explains the migration of pseudoplasmodium which has been experimentally predicted to be lead by cells with higher intrinsic frequencies. Results obtained predict that its velocity attains its maximum value in the interface region between total locking and partial locking and also suggest possible roles played by partial synchrony during multicellular development.

adap-org↗

A Multicanonical Molecular Dynamics Study on a Simple Bead-Spring Model for Protein Folding

We have performed a multicanonical molecular dynamics simulation on a simple model protein.We have studied a model protein composed of charged, hydrophobic, and neutral spherical bead monomers.Since the hydrophobic interaction is considered to significantly affect protein folding, we particularly focus on the competition between effects of the Coulomb interaction and the hydrophobic interaction. We found that the transition which occurs upon decreasing the temperature is markedly affected by the change in both parameters and forms of the hydrophobic potential function, and the transition changes from first order to second order, when the Coulomb interaction becomes weaker.

cond-mat.stat-mech↗

Topological entropy of a stiff ring polymer and its connection to DNA knots

We discuss the entropy of a circular polymer under a topological constraint. We call it the {\it topological entropy} of the polymer, in short. A ring polymer does not change its topology (knot type) under any thermal fluctuations. Through numerical simulations using some knot invariants, we show that the topological entropy of a stiff ring polymer with a fixed knot is described by a scaling formula as a function of the thickness and length of the circular chain. The result is consistent with the viewpoint that for stiff polymers such as DNAs, the length and diameter of the chains should play a central role in their statistical and dynamical properties. Furthermore, we show that the new formula extends a known theoretical formula for DNA knots.

cond-mat.stat-mech↗

Morphology of axisymmetric vesicles with encapsulated filaments and impurities

The shape deformation of a three-dimensional axisymmetric vesicle with encapsulated filaments or impurities is analyzed by integrating a dissipation dynamics. This method can incorporate systematically the constraint of a fixed surface area and/or a fixed volume. The filament encapsulated in a vesicle is assumed to take a form of a rod or a ring so as to imitate cytoskeletons. In both cases, results of the shape transition of the vesicle are summarized in phase diagrams in the phase space of the vesicular volume and a rod length or a ring radius. We also study the dynamics of a vesicle with impurities coupled to the membrane curvature. The phase separation and the associated shape deformation in the early stage of the dynamical evolution can well be explained by the linear stability analysis. Long runs of simulation demonstrate the nonlinear coarsening of the wavy deformation of the vesicle in the late stage.

cond-mat.soft↗

Analysis of immune network dynamical system model with small number of degrees of freedom

We numerically study a dynamical system model of an idiotypic immune network with a small number of degrees of freedom. The model was originally introduced by Varela et.al., and describes antibodies interacting in a body in order to prepare for the invasion of external antigens. The main purpose of this paper is to investigate the direction of change in the network system when antigens invade it. We investigate three models, original model, a modified model and a modified model with a threshold of concentration over which each antibody can recognize other antibodies. In all these models, both chaotic and periodic states exist. In particular, we find peculiar states organized in the network, the clustering state.

nlin.CD↗

Spectral Statistics of RR Intervals in ECG

The statistical properties (fluctuations) of heartbeat intervals (RR intervals) in ECG are studied and compared with the predictions of Random Matrix Theory (RMT). It is found that heartbeat intervals only locally exhibit the fluctuation patterns (universality) predicted by the RMT. This finding shows that heartbeat dynamics is of the mixed type where regular and irregular (chaotic) regimes coexist and the Berry-Robnik theory can be applied. It is also observed that the distribution of heartbeat intervals is well described by the one-parameter Brody distribution. The parameter $β$ of the Brody distribution is seen to be connected with the dynamical state of the heart.

physics.med-ph↗

Molecular Theory of Hydrophobic Effects: ``She is too mean to have her name repeated.''

This paper reviews the molecular theory of hydrophobic effects relevant to biomolecular structure and assembly in aqueous solution. Recent progress has resulted in simple, validated molecular statistical thermodynamic theories and clarification of confusing theories of decades ago. Current work is resolving effects of wider variations of thermodynamic state, e.g. pressure denaturation of soluble proteins, and more exotic questions such as effects of surface chemistry in treating stability of macromolecular structures in aqueous solution

physics.chem-ph↗

Individual-based lattice model for spatial spread of epidemics

We present a lattice gas cellular automaton (LGCA) to study spatial and temporal dynamics of an epidemic of SIR (susceptible-infected-removed) type. The automaton is fully discrete, i.e. space, time and number of individuals are discrete variables. The automaton can be applied to study spread of epidemics in both human and animal populations. We investigate effects of spatial inhomogeneities in initial distribution of infected and vaccinated populations on the dynamics of epidemic of SIR type. We discuss vaccination strategies which differ only in spatial distribution of vaccinated individuals. Also, we derive an approximate, mean-field type description of the automaton, and discuss differences between the mean-field dynamics and the results of LGCA simulation.

nlin.CG↗

Evolution dynamics in terraced NK landscapes

We study populations of agents evolving in fitness landscapes constructed according to the rules of a modified NK model with a tunable amount of neutral paths. In the `punctuated equilibrium' regime evolutionary events are identified as jumps in the mean population fitness, and the statistics of these jumps in an ensemble of independently evolving populations is analyzed. We show that, for a wide range of landscapes parameters, the number of events in time t is Poisson distributed, with the time parameter replaced by the logarithm of time. This simple log-Poisson statistics likewise describes the number n of records in any sequence of t independently generated random numbers. The implications of this behavior for evolution dynamics are discussed.

adap-org↗

Sleep-Wake Differences in Scaling Behavior of the Human Heartbeat: Analysis of Terrestrial and Long-Term Space Flight Data

We compare scaling properties of the cardiac dynamics during sleep and wake periods for healthy individuals, cosmonauts during orbital flight, and subjects with severe heart disease. For all three groups, we find a greater degree of anticorrelation in the heartbeat fluctuations during sleep compared to wake periods. The sleep-wake difference in the scaling exponents for the three groups is comparable to the difference between healthy and diseased individuals. The observed scaling differences are not accounted for simply by different levels of activity, but appear related to intrinsic changes in the neuroautonomic control of the heartbeat.

cond-mat.stat-mech↗

Modelling Molecular Motors as Folding-Unfolding Cycles

We propose a model for motor proteins based on a hierarchical Hamiltonian that we have previously introduced to describe protein folding. The proposed motor model has high efficiency and is consistent with a linear load-velocity response. The main improvement with respect to previous models is that this description suggests a connection between folding and function of allosteric proteins.

cond-mat↗

Warm and Cold Denaturation in the Phase Diagram of a Protein Lattice Model

Studying the properties of the solvent around proteins, we propose a much more sophisticated model of solvation than temperature-independent pairwise interactions between monomers, as is used commonly in lattice representations. We applied our model of solvation to a 16-monomer chain constrained on a two-dimensional lattice. We compute a phase diagram function of the temperature and a solvent parameter which is related to the pH of the solution. It exhibits a native state in which the chain coalesces into a unique compact conformation as well as a denatured state. Under certain solvation conditions, both warm and cold denaturations occur between the native and the denatured states. A good agreement is found with the data obtained from calorimetric experiments, thereby validating the proposed model.

cond-mat.soft↗

A simple model for DNA denaturation

Following Poland and Scheraga, we consider a simplified model for the denaturation transition of DNA. The two strands are modeled as interacting polymer chains. The attractive interactions, which mimic the pairing between the four bases, are reduced to a single short range binding term. Furthermore, base-pair misalignments are forbidden, implying that this binding term exists only for corresponding (same curvilinear abscissae) monomers of the two chains. We take into account the excluded volume repulsion between monomers of the two chains, but neglect intra-chain repulsion. We find that the excluded volume term generates an effective repulsive interaction between the chains, which decays as $1/r^{d-2}$. Due to this long-range repulsion between the chains, the denaturation transition is first order in any dimension, in agreement with previous studies.

cond-mat.soft↗

Stochastic resonance as a collective property of ion channel assemblies

By use of a stochastic generalization of the Hodgkin-Huxley model we investigate both the phenomena of stochastic resonance (SR) and coherence resonance (CR) in variable size patches of an excitable cell membrane. Our focus is on the challenge how internal noise stemming from individual ion channels does affect collective properties of the whole ensemble. We investigate both an unperturbed situation with no applied stimuli and one in which the membrane is stimulated externally by a periodic signal and additional external noise. For the nondriven case, we demonstrate the existence of an optimal size of the membrane patch for which the internal noise causes a most regular spike activity. This phenomenon shall be termed intrinsic CR. In presence of an applied periodic stimulus we demonstrate that the signal-to-noise ratio (SNR) exhibits SR vs. decreasing patch size, or vs. increasing internal noise strength, respectively. Moreover, we demonstrate that conventional SR vs. the external noise intensity occurs only for sufficiently large membrane patches, when the intensity of internal noise is below its optimal level. Thus, biological SR seemingly is rooted in the collective properties of large ion channel ensembles rather than in the individual stochastic dynamics of single ion channels.

physics.bio-ph↗

Differentiation and Replication of Spots in a Reaction Diffusion System with Many Chemicals

The replication and differentiation of spots in reaction diffusion equations are studied by extending the Gray-Scott model with self-replicating spots to include many degrees of freedom needed to model systems with many chemicals. By examining many possible reaction networks, the behavior of this model is categorized into three types: replication of homogeneous fixed spots, replication of oscillatory spots, and differentiation from `m ultipotent spots'. These multipotent spots either replicate or differentiate into other types of spots with different fixed-point dynamics, and as a result, an inhomogeneous pattern of spots is formed. This differentiation process of spots is analyzed in terms of the loss of chemical diversity and decrease of the local Kolmogorov-Sinai entropy. The relevance of the results to developmental cell biology and stem cells is also discussed.

nlin.PS↗

Relaxation kinetics of biological dimer adsorption models

We discuss the relaxation kinetics of a one-dimensional dimer adsorption model as recently proposed for the binding of biological dimers like kinesin on microtubules. The non-equilibrium dynamics shows several regimes: irreversible adsorption on short time scales, an intermediate plateau followed by a power-law regime and finally exponential relaxation towards equilibrium. In all four regimes we give analytical solutions. The algebraic decay and the scaling behaviour can be explained by mapping onto a simple reaction-diffusion model. We show that there are several possibilities to define the autocorrelation function and that they all asymptotically show exponential decay, however with different time constants. Our findings remain valid if there is an attractive interaction between bound dimers.

cond-mat.soft↗

Folding dynamics of the helical structures in a minimal model

The folding of a polypeptide is an example of the cooperative effects of the amino-acid residues. Of recent interest is how a secondary structure, such as a helix, spontaneously forms during the collapse of a peptide from an initial denatured state. The Monte Carlo implementation of a recent helix-forming model enables us to study the entire folding process dynamically. As shown by the computer simulations, the foldability and helical propagation are both strongly correlated to the nucleation properties of the sequence.

cond-mat.soft↗

Discrete charge patterns, Coulomb correlations and interactions in protein solutions

The effective Coulomb interaction between globular proteins is calculated as a function of monovalent salt concentration $c_s$, by explicit Molecular Dynamics simulations of pairs of model proteins in the presence of microscopic co and counterions. For discrete charge patterns of monovalent sites on the surface, the resulting osmotic virial coefficient $B_2$ is found to be a strikingly non-monotonic function of $c_s$. The non-monotonicity follows from a subtle Coulomb correlation effect which is completely missed by conventional non-linear Poisson-Boltzmann theory and explains various experimental findings.

cond-mat.soft↗