Biomedical subjects

Luis A Pugnaloni

Publications and source records attributed to Luis A Pugnaloni.

8 recordsLinked to original sources

PubMed2005

Brownian dynamics simulation of adsorbed layers of interacting particles subjected to large extensional deformation.

We present Brownian dynamics simulations of the compression and expansion of monolayers adsorbed at a planar interface. The surface-active species are modelled as monodisperse spherical particles that can form particle-particle elastic bonds. The objective is to model the large compression and expansion of viscoelastic protein films investigated in Langmuir trough experiments. We determine the stress-strain response of the system and the associated microstructural changes induced by the large deformation of the interface as a function of particle adsorption energy, and bond breakability and stiffness. We also study the effect of the velocity of compression and the type of compression (uniaxial or homogeneous) on the mechanism of collapse of the adsorbed films. Furthermore, we present simulations on complex mixed systems containing both bond-forming particles (modelling protein) and nonbond-forming particles (modelling surfactant). We find that the preferential desorption of one type of particle or the other, upon compression, is sensitive to the extent of bond breakability of the bond-forming species.

Adsorption↗

PubMed2005

Jamming during the discharge of granular matter from a silo.

In this work, we present an experimental study of the jamming that stops the free flow of grains from a silo discharging by gravity. When the outlet size is not much bigger than the beads, granular material jams the outlet of the container due to the formation of an arch. Statistical data from the number of grains fallen between consecutive jams are presented. The information that they provide can help one to understand the jamming phenomenon. As the ratio between the size of the orifice and the size of the beads is increased, the probability that an arch blocks the outlet decreases. We show here that there is a power-law divergence of the mean avalanche size for a finite critical radius. Beyond this critical radius, no jamming can occur and the flow is never stopped. The dependence of the arch formation on the shape and the material of the grains has been explored. It has been found that the material properties of the grains do not affect the arch formation probability. On the contrary, the shape of the grains deeply influences it. A simple model to interpret the results is also discussed.

Journal Article↗

PubMed2005

Microstructure of acid-induced caseinate gels containing sucrose: quantification from confocal microscopy and image analysis.

We investigate the effect of sucrose on the microstructure of sodium caseinate gels induced by acidification. The average pore size and the fractal properties of two-dimensional slices of the gels are studied using confocal scanning laser microscopy and image analysis. The addition of sucrose promotes stronger and more fine-stranded gels while re-arrangements of the network tend to be prevented. Whereas the fractal dimension itself is not sensitive to changes in the gel microstructure upon addition of sucrose, the maximum cut-off distance, up to which fractal scaling behaviour applies, is substantially reduced, as is the average pore size. The overall microstructural changes seem to be consistent with previous rheological and light scattering studies of the same system.

Acids↗

PubMed2005

Percolation of clusters with a residence time in the bond definition: Integral equation theory.

We consider the clustering and percolation of continuum systems whose particles interact via the Lennard-Jones pair potential. A cluster definition is used according to which two particles are considered directly connected (bonded) at time t if they remain within a distance d, the connectivity distance, during at least a time of duration tau, the residence time. An integral equation for the corresponding pair connectedness function, recently proposed by two of the authors [Phys. Rev. E 61, R6067 (2000)], is solved using the orthogonal polynomial approach developed by another of the authors [Phys. Rev. E 55, 426 (1997)]. We compare our results with those obtained by molecular dynamics simulations.

Journal Article↗

PubMed2004

Surface phase separation in complex mixed adsorbing systems: an interface-bulk coupling effect.

The interfacial thermodynamics and structure of ternary mixtures of the type A+B+solvent are investigated. According to the Gibbs phase rule, the coupling between the bulk phase and the interfacial region-which is related to the reversibility of the adsorption of the corresponding species-is a determinant as to whether phase separation can be observed at the interface. For an n-component adsorbing solution, at least one of the species has to adsorb irreversibly over the experimental time scales in order not to fix more intensive variables than those required to observe surface phase separation. We present results for a lattice model planar interface consisting of the ternary mixture A+B+solvent. The solvent molecules and the type A molecules have fixed chemical potentials at the interface since they are equilibrated with a bulk solution. In contrast, the type B molecules are irreversibly adsorbed at the interface and do not equilibrate with the bulk. Mean-field theory is compared with Monte Carlo simulation. Interestingly, the spinodal line in the interaction-composition plane shows a reentrant on the B-rich phase side. We discuss the implications of these results for surface phase separation of adsorbing mixtures of proteins and low-molecular-weight surfactants.

Journal Article↗

PubMed2004

Computer simulation of the microstructure of a nanoparticle monolayer formed under interfacial compression.

The uniaxial compression of a monolayer of nanosized monodisperse spherical particles adsorbed at a planar interface is simulated using the Brownian dynamics technique. Initially, the particles spread at the interface form crystalline loosely interconnected clusters. As the interface is compressed, the gaps between the clusters are removed and a close-packed monolayer is formed. At this stage, the structure of the interface consists of two-dimensional crystalline grains separated by defect boundaries. Further interfacial compression induces desorption of nanoparticles at these boundaries and creates striplike patterns of a secondary adsorbed layer. The structural features observed show remarkable agreement with recent experimental studies of the compression of gold nanoparticles in a Langmuir trough.

Journal Article↗

PubMed2004

Competitive adsorption of proteins and low-molecular-weight surfactants: computer simulation and microscopic imaging.

Proteins and low-molecular-weight (LMW) surfactants are used in the food industry as emulsifying (and foaming) ingredients and as stabilizers. These attributes are related to their ability to adsorb at fluid-fluid (and gas-fluid) interfaces lowering the interfacial (and surface) tension of liquids. Hence, the study of the properties of adsorbed layers of these molecules can be expected to lead to a better understanding of their effect on food products. Direct proof of the validity of mesoscopic models of systems of proteins and LMW surfactants can only be achieved by quantitative theoretical predictions being tested against both macroscopic and mesoscopic experiments. Computer simulation constitutes one of the few available tools to predict mathematically the behaviour of models of realistic complexity. Furthermore, experimental techniques such as atomic force microscopy (AFM) now allow high resolution imaging of these systems, providing the mesoscopic scale measurements to compare with the simulations. In this review, we bring together a number of related findings that have been generated at this mesoscopic level over the past few years. A useful simple model consisting of spherical particles interacting via bonded and unbonded forces is described, and the derived computer simulation results are compared against those from the imaging experiments. Special attention is paid to the adsorption of binary mixtures of proteins, mixtures of LMW surfactants, and also protein+surfactant mixed systems. We believe that further development of these mathematically well-defined physical models is necessary in order to achieve a proper understanding of the key physico-chemical processes involved.

Adsorption↗

PubMed2003

Jamming during the discharge of grains from a silo described as a percolating transition.

We have looked into an experiment that has been termed the "canonical example" of jamming: granular material, clogging the outlet of a container as it is discharged by gravity. We present quantitative data of such an experiment. The experimental control parameter is the ratio between the radius of the orifice and the radius of the beads. As this parameter is increased, the jamming probability decreases. However, in the range of parameters explored, no evidence of criticality--in the sense of a jamming probability that becomes infinitely small for a finite radius--has been found. We draw instead a comparison with a simple model that captures the main features of the phenomenon, namely, percolation in one dimension. The model gives indeed a phase transition, albeit a special one.

Journal Article↗