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Protein induced morphological transitions in KCl crystal growth

We investigated the formation of KCl crystals on glass surface by phase contrast, fluorescent, and atomic force microscopy on the micrometer scale, and observed interesting morphological transitions as a function of the experimental conditions. The presence of proteins in the solution from which the salt crystals grow during the drying up leads to complex microscopic patterns of crystals some of which are analogous to those commonly observed on the macroscopic scale. We tested the effect of tubulin, FITC-labeled albumin and IgG on the morphology of crystals grown either slowly or fast. A rich variety of protein specific and concentration dependent morphologies was found and described by a morphological diagram. We give a phenomenological interpretation, which can explain the growth of complex patterns. Fluorescent images prove that a protein layer covers the surface of the KCl structures. We propose that this layer reduces the anisotropy of the effective surface tension during growth. The tip splitting fractal regime is attributed to the decrease of anisotropy. Other possible mechanisms, which can cause morphological transition, are also discussed. We found elongated saw-toothed crystals induced by proteins, especially IgG and identified their structure.

physics.bio-ph↗

Compact phases of polymers with hydrogen bonding

We propose an off-lattice model for a self-avoiding homopolymer chain with two different competing attractive interactions, mimicking the hydrophobic effect and the hydrogen bond formation respectively. By means of Monte Carlo simulations, we are able to trace out the complete phase diagram for different values of the relative strength of the two competing interactions. For strong enough hydrogen bonding, the ground state is a helical conformation, whereas with decreasing hydrogen bonding strength, helices get eventually destabilized at low temperature in favor of more compact conformations resembling $β$-sheets appearing in native structures of proteins. For weaker hydrogen bonding helices are not thermodynamically relevant anymore.

cond-mat.stat-mech↗

Inter-strand distance distribution of DNA near melting

The distance distribution between complementary base pairs of the two strands of a DNA molecule is studied near the melting transition. Scaling arguments are presented for a generalized Poland-Scheraga type model which includes self-avoiding interactions. At the transition temperature and for a large distance r the distribution decays as 1/r^κwith κ=1+(c-2)/ ν. Here νis the self-avoiding walk correlation length exponent and c is the exponent associated with the entropy of an open loop in the chain. Results for the distribution function just below the melting point are also presented. Numerical simulations which fully take into account the self-avoiding interactions are in good agreement with the scaling approach.

cond-mat.stat-mech↗

An evolution equation of the population genetics: relation to the density-matrix theory of quasiparticles with general dispersion laws

The Waxman-Peck theory of the population genetics is discussed in regard of soil bacteria. Each bacterium is understood as a carrier of a phenotypic parameter p. The central aim is the calculation of the probability density with respect to p of the carriers living at time t>0. The theory involves two small parameters: the mutation probability $μ$ and a parameter $γ$ involved in a function w(p) defining the fitness of the bacteria to survive the generation time $τ$ and give birth to offspring. The mutation from a state p to a state q is defined by a Gaussian. The author focuses attention on an equation generalizing Waxman's equation. The author solves this equation in the standard style of a perturbation theory and discusses how the solution depends on the choice of the fitness function w(p). In a sense, the function $c(p)=1-w(p)/w(0)$ is analogous to the dispersion function E(p) of fictitious quasiparticles. With a general function c(p), the distribution function ${\mathitΦ}(p,t;0)$ is composed of a delta-function component, $N(t)δ(p)$, and a blurred component. The author shows that asymptotically N(t) may tend to a positive value, in contrast with zero resulting from Waxman's approximation where $c(p)\sim p^2$.

physics.bio-ph↗

Correlated noise in a logistic growth model

The logistic differential equation is used to analyze cancer cell population, in the presence of a correlated Gaussian white noise. We study the steady state properties of tumor cell growth and discuss the effects of the correlated noise. It is found that the degree of correlation of the noise can cause tumor cell extinction.

physics.bio-ph↗

Survival-extinction phase transition in a bit-string population with mutation

A bit-string model for the evolution of a population of haploid organisms, subject to competition, reproduction with mutation and selection is studied, using mean field theory and Monte Carlo simulations. We show that, depending on environmental flexibility and genetic variability, the model exhibits a phase transtion between extinction and survival. The mean-field theory describes the infinite-size limit, while simulations are used to study quasi-stationary properties.

cond-mat.stat-mech↗

Interactions between proteins bound to biomembranes

We study a physical model for the interaction between general inclusions bound to fluid membranes that possess finite tension, as well as the usual bending rigidity. We are motivated by an interest in proteins bound to cell membranes that apply forces to these membranes, due to either entropic or direct chemical interactions. We find an exact analytic solution for the repulsive interaction between two similar circularly symmetric inclusions. This repulsion extends over length scales of order tens of nanometers, and contrasts with the membrane-mediated contact attraction for similar inclusions on tensionless membranes. For non circularly symmetric inclusions we study the small, algebraically long-ranged, attractive contribution to the force that arises. We discuss the relevance of our results to biological phenomena, such as the budding of caveolae from cell membranes and the striations that are observed on their coats.

cond-mat.soft↗

Universal behavior of localization of residue fluctuations in globular proteins

Localization properties of residue fluctuations in globular proteins are studied theoretically by using the Gaussian network model. Participation ratio for each residue fluctuation mode is calculated. It is found that the relationship between participation ratio and frequency is similar for all globular proteins, indicating a universal behavior in spite of their different size, shape, and architecture.

physics.bio-ph↗

Non-monotonic variation with salt concentration of the second virial coefficient in protein solutions

The osmotic virial coefficient $B_2$ of globular protein solutions is calculated as a function of added salt concentration at fixed pH by computer simulations of the ``primitive model''. The salt and counter-ions as well as a discrete charge pattern on the protein surface are explicitly incorporated. For parameters roughly corresponding to lysozyme, we find that $B_2$ first decreases with added salt concentration up to a threshold concentration, then increases to a maximum, and then decreases again upon further raising the ionic strength. Our studies demonstrate that the existence of a discrete charge pattern on the protein surface profoundly influences the effective interactions and that non-linear Poisson Boltzmann and Derjaguin-Landau-Verwey-Overbeek (DLVO) theory fail for large ionic strength. The observed non-monotonicity of $B_2$ is compared to experiments. Implications for protein crystallization are discussed.

cond-mat.soft↗

Role of bulk and of interface contacts in the behaviour of model dimeric proteins

Some dimeric proteins first fold and then dimerize (three--state dimers) while others first dimerize and then fold (two--state dimers). Within the framework of a minimal lattice model, we can distinguish between sequences obeying to one or to the other mechanism on the basis of the partition of the ground state energy between bulk than for interface contacts. The topology of contacts is very different for the bulk than for the interface: while the bulk displays a rich network of interactions, the dimer interface is built up a set of essentially independent contacts. Consequently, the two sets of interactions play very different roles both in the the folding and in the evolutionary history of the protein. Three--state dimers, where a large fraction of the energy is concentrated in few contacts buried in the bulk, and where the relative contact energy of interface contacts is considerably smaller than that associated with bulk contacts, fold according to a hierarchycal pathway controlled by local elementary structures, as also happens in the folding of single--domain monomeric proteins. On the other hand, two--state dimers display a relative contact energy of interface contacts which is larger than the corresponding quantity associated with the bulk. In this case, the assembly of the interface stabilizes the system and lead the two chains to fold. The specific properties of three--state dimers acquired through evolution are expected to be more robust than those of two--state dimers, a fact which has consequences on proteins connected with viral diseases.

cond-mat↗

Self-organization and Mechanical Properties of Active Filament Bundles

A phenomenological description for active bundles of polar filaments is presented. The activity of the bundle results from crosslinks, that induce relative displacements between the aligned filaments. Our generic description is based on momentum conservation within the bundle. By specifying the internal forces, a simple minimal model for the bundle dynamics is obtained, capturing generic dynamic behaviors. In particular, contracted states as well as solitary and oscillatory waves appear through dynamic instabilities. The introduction of filament adhesion leads to self-organized persistent filament transport. Furthermore, calculating the tension, homogeneous bundles are shown to be able to actively contract and to perform work against external forces. Our description is motivated by dynamic phenomena in the cytoskeleton and could apply to stress-fibers and self-organization phenomena during cell-locomotion.

cond-mat.stat-mech↗

A nonlinear dynamical model of human gait

We present a nonlinear stochastic model of the human gait control system in a variety of gait regimes. The stride interval time series in normal human gait is characterized by slightly multifractal fluctuations. The fractal nature of the fluctuations become more pronounced under both an increase and decrease in the average gait. Moreover, the long-range memory in these fluctuations is lost when the gait is keyed on a metronome. The human locomotion is controlled by a network of neurons capable of producing a correlated syncopated output. The central nervous system is coupled to the motocontrol system, and together they control the locomotion of the gait cycle itself. The metronomic gait is simulated by a forced nonlinear oscillator with a periodic external force associated with the conscious act of walking in a particular way.

cond-mat.stat-mech↗

Applicability of the Fisher Equation to Bacterial Population Dynamics

The applicability of the Fisher equation, which combines diffusion with logistic nonlinearity, to population dynamics of bacterial colonies is studied with the help of explicit analytic solutions for the spatial distribution of a stationary bacterial population under a static mask. The mask protects the bacteria from ultraviolet light. The solution, which is in terms of Jacobian elliptic functions, is used to provide a practical prescription to extract Fisher equation parameters from observations and to decide on the validity of the Fisher equation.

nlin.AO↗

Distances and classification of amino acids for different protein secondary structures

Window profiles of amino acids in protein sequences are taken as a description of the amino acid environment. The relative entropy or Kullback-Leibler distance derived from profiles is used as a measure of dissimilarity for comparison of amino acids and secondary structure conformations. Distance matrices of amino acid pairs at different conformations are obtained, which display a non-negligible dependence of amino acid similarity on conformations. Based on the conformation specific distances clustering analysis for amino acids is conducted.

physics.bio-ph↗

Wavelet analysis of epileptic spikes

Interictal spikes and sharp waves in human EEG are characteristic signatures of epilepsy. These potentials originate as a result of synchronous, pathological discharge of many neurons. The reliable detection of such potentials has been the long standing problem in EEG analysis, especially after long-term monitoring became common in investigation of epileptic patients. The traditional definition of a spike is based on its amplitude, duration, sharpness, and emergence from its background. However, spike detection systems built solely around this definition are not reliable due to the presence of numerous transients and artifacts. We use wavelet transform to analyze the properties of EEG manifestations of epilepsy. We demonstrate that the behavior of wavelet transform of epileptic spikes across scales can constitute the foundation of a relatively simple yet effective detection algorithm.

physics.bio-ph↗

A stochastic model for heart rate fluctuations

Normal human heart rate shows complex fluctuations in time, which is natural, since heart rate is controlled by a large number of different feedback control loops. These unpredictable fluctuations have been shown to display fractal dynamics, long-term correlations, and 1/f noise. These characterizations are statistical and they have been widely studied and used, but much less is known about the detailed time evolution (dynamics) of the heart rate control mechanism. Here we show that a simple one-dimensional Langevin-type stochastic difference equation can accurately model the heart rate fluctuations in a time scale from minutes to hours. The model consists of a deterministic nonlinear part and a stochastic part typical to Gaussian noise, and both parts can be directly determined from the measured heart rate data. Studies of 27 healthy subjects reveal that in most cases the deterministic part has a form typically seen in bistable systems: there are two stable fixed points and one unstable one.

physics.med-ph↗

Solving the riddle of the bright mismatches: hybridization in oligonucleotide arrays

HDONA technology is predicated on two ideas. First, the differential between high-affinity (perfect match, PM) and lower-affinity (mismatch, MM) probes is used to minimize cross-hybridization. Second, several short probes along the transcript are combined, introducing redundancy. Both ideas have shown problems in practice: MMs are often brighter than PMs, and it is hard to combine the pairs because their brightness often spans decades. Previous analysis suggested these problems were sequence-related; publication of the probe sequences has permitted us an in-depth study of this issue. Our results suggest that fluorescently labeling the nucleotides interferes with mRNA binding, causing a catch-22 since, to be detected, the target mRNA must both glow and stick to its probe: without labels it cannot be seen even if bound, while with too many it won't bind. We show that this conflict causes much of the complexity of HDONA raw data, suggesting that an accurate physical understanding of hybridization by incorporating sequence information is necessary to perfect microarray analysis.

physics.bio-ph↗

Epidemic spreading with immunization and mutations

The spreading of infectious diseases with and without immunization of individuals can be modeled by stochastic processes that exhibit a transition between an active phase of epidemic spreading and an absorbing phase, where the disease dies out. In nature, however, the transmitted pathogen may also mutate, weakening the effect of immunization. In order to study the influence of mutations, we introduce a model that mimics epidemic spreading with immunization and mutations. The model exhibits a line of continuous phase transitions and includes the general epidemic process (GEP) and directed percolation (DP) as special cases. Restricting to perfect immunization in two spatial dimensions we analyze the phase diagram and study the scaling behavior along the phase transition line as well as in the vicinity of the GEP point. We show that mutations lead generically to a crossover from the GEP to DP. Using standard scaling arguments we also predict the form of the phase transition line close to the GEP point. It turns out that the protection gained by immunization is vitally decreased by the occurrence of mutations.

cond-mat.stat-mech↗