We present a mechanistic model of drug release from a multiple emulsion into an external surrounding fluid. We consider a single multilayer droplet where the drug kinetics are described by a pure diffusive process through different liquid shells. The multilayer problem is described by a system of diffusion equations coupled via interlayer conditions imposing continuity of drug concentration and flux. Mass resistance is imposed at the outer boundary through the application of a surfactant at the external surface of the droplet.

We use Langevin dynamics simulations to study the mass diffusion problem across two adjacent porous layers of different transport properties. At the interface between the layers, we impose the Kedem-Katchalsky (KK) interfacial boundary condition that is well suited in a general situation. A detailed algorithm for the implementation of the KK interfacial condition in the Langevin dynamics framework is presented. As a case study, we consider a two-layer diffusion model of a drug-eluting stent.

The containment of the invasive species is a widespread problem in the environmental management, with a significant economic impact. We analyze an optimal control model which aims to find the best temporal resource allocation strategy for the removal of an invasive species. We derive the optimality system in the state and control variables and we use the phase-space analysis to provide qualitative insights about the behavior of the optimal solution.

The impact of vehicular traffic on society is huge and multifaceted, including economic, social, health and environmental aspects. The problems is complex and hard to model since it requires to consider traffic patterns, air pollutant emissions, and the chemical reactions and dynamics of pollutants in the low atmosphere. This paper aims at exploring a comprehensive simulation tool ranging from vehicular traffic all the way to environmental impact.

Simulated data are crucial for evaluating epistasis detection tools in genome-wide association studies. Existing simulators are limited, as they do not account for linkage disequilibrium (LD), support limited interaction models of single nucleotide polymorphisms (SNPs) and only dichotomous phenotypes or depend on proprietary software.