Drug delivery from multi-layer micro-capsules: how can we estimate the release time?

In this paper, we consider a multi-layer diffusion model of drug release from a composite spherical microcapsule into an external surrounding medium. Based on this model, we present two approaches for estimating the release time, i.e. the time required for the drug-filled capsule to be depleted. Both approaches make use of temporal moments of the drug concentration at the centre of the capsule, which provide useful insight into the timescale of the process and can be computed exactly without explicit calculation of the full transient solution of the multi-layer diffusion model.

Modelling drug release from composite capsules and nanoparticles

We present a general mechanistic model of mass diffusion for a composite sphere placed in a large ambient medium. The multi-layer problem is described by a system of diffusion equations coupled via interlayer boundary conditions such as those imposing a finite mass resistance at the external surface of the sphere. While the work is applicable to the generic problem of heat or mass transfer in a multi-layer sphere, the analysis and results are presented in the context of drug kinetics for desorbing and absorbing spherical microcapsules.

The physics of open systems for the simulation of complex molecular environments in soft matter

Molecular dynamics (MD) has become one of the most powerful tools of investigation in soft matter. Despite such success, simulations of large molecular environments are mostly run using the approximation of closed systems without the possibility of exchange of matter. Due to the molecular complexity of soft matter systems, an optimal simulation strategy would require the application of concurrent multiscale resolution approaches such that each part of a large system can be considered as an open subsystem at a high resolution embedded in a large coarser reservoir of energy and particles.

The effect of line patterns on intracellular ATP concentration in vascular endothelial cells

The migration of endothelial cells (ECs) is critical for various processes including vascular wound healing, tumor angiogenesis, and the development of viable endovascular implants. EC migration is regulated by intracellular ATP; thus, elucidating the dynamics of intracellular ATP concentration is important.

Modelling phase separation in amorphous solid dispersions

Much work has been devoted to analysing thermodynamic models for solid dispersions with a view to identifying regions in the phase diagram where amorphous phase separation or drug recrystallization can occur. However, detailed partial differential equation non-equilibrium models that track the evolution of solid dispersions in time and space are lacking. Hence theoretical predictions for the timescale over which phase separation occurs in a solid dispersion are not available.

X-chromosome-linked miR548am-5p is a key regulator of sex disparity in the susceptibility to mitochondria-mediated apoptosis

Sex dimorphism in cell response to stress has previously been investigated by different research groups. This dimorphism could be at least in part accounted for by sex-biased expression of regulatory elements such as microRNAs (miRs). In order to spot previously unknown miR expression differences we took advantage of prior knowledge on specialized databases to identify X chromosome-encoded miRs potentially escaping X chromosome inactivation (XCI).

On the impact of controlled wall roughness shape on the flow of a soft material

We explore the impact of geometrical corrugations on the near-wall flow properties of a soft material driven in a confined rough microchannel. By means of numerical simulations, we perform a quantitative analysis of the relation between the flow rate ? and the wall stress ?w for a number of setups, by changing both the roughness values as well as the roughness shape. Roughness suppresses the flow, with the existence of a characteristic value of ?w at which flow sets in. Just above the onset of flow, we quantitatively analyze the relation between ? and ?w.

A large deviation approach to super-critical bootstrap percolation on the random graph G(n,p)

We consider the Erdös-Rényi random graph G(n,p) and we analyze the simple irreversible epidemic process on the graph, known in the literature as bootstrap percolation. We give a quantitative version of some results by Janson et al. (2012), providing a fine asymptotic analysis of the final size A_n of active nodes, under a suitable super-critical regime. More specifically, we establish large deviation principles for the sequence of random variables n-A_n/f (n) with explicit rate functions and allowing the scaling function f to vary in the widest possible range.

Trust-Based Enforcement of Security Policies

Two conflicting high-level goals govern the enforcement of security policies, abridged in the phrase ``high security at a low cost''. While these drivers seem irreconcilable, formal modelling languages and automated verification techniques can facilitate the task of finding the right balance. We propose a modelling language and a framework in which security checks can be relaxed or strengthened to save resources or increase protection, on the basis of trust relationships among communicating parties.

Mathematical Modeling of Intracellular ATP Concentration in Vascular Endothelial Cells on Line Patterns

The migration of endothelial cells (ECs) is critical for various processes including vascular wound healing, tumor angiogenesis, and the development of viable endovascular implants. EC migration is regulated by intracellular ATP and recent observations in our laboratory on ECs cultured on line patterns - surfaces where cellular adhesion is limited to 15 m-wide lines that physically confine the cells - have demonstrated very different migration behavior from cells on control unpatterned surfaces.