Biomedical subjects

M M Telo da Gama

Publications and source records attributed to M M Telo da Gama.

13 recordsLinked to original sources

PubMed2006

Elliptical soft colloids in smectic-C films.

We investigate theoretically the elliptical shapes of soft colloids in freely standing smectic- C films, that have been reported recently. The colloids favor parallel alignment of the liquid crystal molecules at their surfaces and, for sufficiently strong anchoring, will generate a pair of defects at the poles of the colloidal particles. The elastic free energy of the liquid crystal matrix will, in turn, affect the shape of the colloids. In this study we will focus on elliptical soft colloids and determine how their equilibrium shapes depend on the elastic constants of the liquid crystal, the anchoring strength, the surface tension, and the size of the colloids. A shape diagram is obtained analytically, by minimizing the Frank elastic free energy, in the limit of small eccentricities. The analytical results are verified, and generalized to arbitrary eccentricities, by numerical minimization of an appropriate Landau free energy. The latter is required for an adequate description of the topological defects when the liquid crystal correlation length is comparable to the size of the colloidal particles.

Journal Article↗

PubMed2006

Phase transition in two-dimensional dipolar fluids at low densities.

Monte Carlo computer simulations of a quasi two-dimensional (2D) dipolar fluid at low and intermediate densities indicate that the structure of the fluid is well described by an ideal mixture of self-assembling clusters. A detailed analysis of the topology of the clusters, of their internal energy and of their size (or mass) distributions is used to obtain approximations to their partition functions. Within the scope of these approximations, the results of this work suggest that the 2D dipolar fluid undergoes a phase transition from a dilute phase characterized by a number of disconnected clusters to a condensed phase characterized by a network or spanning (macroscopic) cluster that includes most of the particles in the system.

Journal Article↗

PubMed2006

Localized contacts between hosts reduce pathogen diversity.

We investigate the dynamics of a simple epidemiological model for the invasion by a pathogen strain of a population where another strain circulates. We assume that reinfection by the same strain is possible but occurs at a reduced rate due to acquired immunity. The rate of reinfection by a distinct strain is also reduced due to cross-immunity. Individual based simulations of this model on a 'small-world' network show that the proportion of local contacts in the host contact network structure significantly affects the outcome of such an invasion, and as a consequence will affect the patterns of pathogen evolution. In particular, hosts interacting through a 'small-world' network of contacts support lower prevalence of infection than well-mixed populations, and the region in parameter space for which an invading strain can become endemic and coexist with the circulating strain is smaller, reducing the potential to accommodate pathogen diversity. We discuss the underlying mechanisms for the reported effects, and we propose an effective mean-field model to account for the contact structure of the host population in 'small-world' networks.

Animals↗

PubMed2004

Native geometry and the dynamics of protein folding.

In this paper, we investigate the role of native geometry on the kinetics of protein folding based on simple lattice models and Monte Carlo simulations. Results obtained within the scope of the Miyazawa-Jernigan indicate the existence of two dynamical folding regimes depending on the protein chain length. For chains larger than 80 amino acids, the folding performance is sensitive to the native state's conformation. Smaller chains, with less than 80 amino acids, fold via two-state kinetics and exhibit a significant correlation between the contact order parameter and the logarithmic folding times. In particular, chains with N=48 amino acids were found to belong to two broad classes of folding, characterized by different cooperativity, depending on the contact order parameter. Preliminary results based on the Go model show that the effect of long-range contact interaction strength in the folding kinetics is largely dependent on the native state's geometry.

Kinetics↗

PubMed2004

Recurrent epidemics in small world networks.

The effect of spatial correlations on the spread of infectious diseases was investigated using a stochastic susceptible-infective-recovered (SIR) model on complex networks. It was found that in addition to the reduction of the effective transmission rate, through the screening of infectives, spatial correlations have another major effect through the enhancement of stochastic fluctuations, which may become considerably larger than in the homogeneously mixed stochastic model. As a consequence, in finite spatially structured populations significant differences from the solutions of deterministic models are to be expected, since sizes even larger than those found for homogeneously mixed stochastic models are required for the effects of fluctuations to be negligible. Furthermore, time series of the (unforced) model provide patterns of recurrent epidemics with slightly irregular periods and realistic amplitudes, suggesting that stochastic models together with complex networks of contacts may be sufficient to describe the long-term dynamics of some diseases. The spatial effects were analysed quantitatively by modelling measles and pertussis, using a susceptible-exposed-infective-recovered (SEIR) model. Both the period and the spatial coherence of the epidemic peaks of pertussis are well described by the unforced model for realistic values of the parameters.

Disease Outbreaks↗

PubMed2004

Diffusion-limited deposition of dipolar particles.

Deposits of dipolar particles are investigated by means of extensive Monte Carlo simulations. We found that the effect of the interactions is described by an initial, nonuniversal, scaling regime characterized by orientationally ordered deposits. In the dipolar regime, the order and geometry of the clusters depend on the strength of the interactions and the magnetic properties are tunable by controlling the growth conditions. At later stages, the growth is dominated by thermal effects and the diffusion-limited universal regime obtains, at finite temperatures. At low temperatures the crossover size increases exponentially as T decreases and at T=0 only the dipolar regime is observed.

Journal Article↗

PubMed2004

Key-lock mechanism in nematic colloidal dispersions.

We consider the interaction between two-dimensional nematic colloids and planar or sculpted walls. The elastic interaction between colloidal disks and flat walls, with homeotropic boundary conditions, is always repulsive. These repulsions may be turned into strong attractions at structured or sculpted walls, with cavities that match closely the shape and size of the colloids. This key-lock mechanism is analyzed in detail for colloidal disks and spherocylindrical cavities of various length to depth ratios, by minimizing the Landau-de Gennes free energy functional of the nematic orientational order parameter. We find that the attractions occur only for walls with cavities within a small range of the colloidal size and a narrow range of orientations with respect to the cavity's symmetry axis.

Journal Article↗

PubMed2004

Interaction of colloids with a nematic-isotropic interface.

The Landau-de Gennes free energy is used to calculate the interaction between long cylindrical colloids and the nematic-isotropic (NI) interface. This interaction has two contributions: one is specific of liquid crystals and results from the deformation of the director field close to the particles or to the interface, while the other is generic and results from wetting and surface tension effects. Deep in the nematic phase the director field of long cylindrical colloids, with strong homeotropic anchoring, exhibits two half-integer defect lines. As the colloid moves towards the interface, the director configuration changes through a series of discontinuous transitions, where one or two of the defects are annihilated. In addition, the NI interface bends towards the colloid in order to minimize the elastic free energy in the nematic. In the isotropic phase, the colloid is surrounded by a thin nematic layer that reduces the surface free energy under favorable wetting conditions. The interaction has a well-defined minimum near the interface. In this region the director and interfacial structures are complex and cannot be described analytically. Using the numerical results for the Landau-de Gennes free energy in the harmonic region, we obtained simple scaling laws for the (linear) force on the colloid.

Journal Article↗

PubMed2003

Forces between elongated particles in a nematic colloid.

Using molecular dynamics simulations we study the interactions between elongated colloidal particles (length to breath ratio >>1) in a nematic host. The simulation results are compared to the results of a Landau-de Gennes elastic free energy. We find that depletion forces dominate for the sizes of the colloidal particles studied. The tangential component of the force, however, allows us to resolve the elastic contribution to the total interaction. We find that this contribution differs from the quadrupolar interaction predicted at large separations. The difference is due to the presence of nonlinear effects, namely, the change in the positions and structure of the defects and their annihilation at small separations.

Journal Article↗

PubMed2003

Nonequilibrium wetting transitions with short range forces.

We analyze within mean-field theory as well as numerically a Kardar-Parisi-Zhang equation that describes nonequilibrium wetting. Both complete and critical wettitng transitions were found and characterized in detail. For one-dimensional substrates the critical weting temperature is depressed by fluctuations. In addition, we have investigated a region in the space of parameters (temperature and chemical potential) where the wet and nonwet phases coexist. Finite-size scaling analysis of the interfacial detaching times indicates that the finite coexistence region survives in the thermodynamic limit. Within this region we have observed (stable or very long lived) structures related to spatiotemporal intermittency in other systems. In the interfacial representation these structures exhibit perfect triangular (pyramidal) patterns in one dimension (two dimensions), which are characterized by their slope and size distribution.

Journal Article↗

PubMed2002

Quasi-two-dimensional dipolar fluid at low densities: Monte Carlo simulations and theory.

We studied a quasi-two-dimensional dipolar fluid in the chaining regime using Monte Carlo canonical simulations and theoretical analyses. The self-assembled clusters were characterized by measuring their internal energy, conformational properties, and equilibrium length distributions. We generalized and used equilibrium polymer theory to describe the structure of the chains and rings observed in the simulations. The scaling forms of the length distribution functions predicted by theory were found to describe adequately the simulation results. Finally, we discuss how this type of analysis may be used to establish the existence and mechanisms of phase transitions in dilute dipolar fluids.

Journal Article↗

PubMed2002

Geometrically-controlled twist transitions in nematic cells.

We study geometrically controlled twist transitions of a nematic confined between a sinusoidal grating and a flat substrate. In these cells, the transition to the twisted state is driven by surface effects. We have identified the mechanisms responsible for the transition analytically and used exact numerical calculations to study the range of surface parameters where the twist instability occurs. Close to these values, the cell operates under minimal external fields or temperature variations.

Journal Article↗

PubMed2002

Colloidal interactions in two-dimensional nematics.

The interaction between two disks immersed in a 2D nematic is investigated i) analytically using the tensor order parameter formalism for the nematic configuration around isolated disks and ii) numerically using finite-element methods with adaptive meshing to minimize the corresponding Landau-de Gennes free energy. For strong homeotropic anchoring, each disk generates a pair of defects with one-half topological charge responsible for the 2D quadrupolar interaction between the disks at large distances. At short distance, the position of the defects may change, leading to unexpected complex interactions with the quadrupolar repulsive interactions becoming attractive. This short-range attraction in all directions is still anisotropic. As the distance between the disks decreases, their preferred relative orientation with respect to the far-field nematic director changes from oblique to perpendicular.

Journal Article↗