ADViSELipidomics: a workflow for analyzing lipidomics data

Summary: ADViSELipidomics is a novel Shiny app for preprocessing, analyzing and visualizing lipidomics data. It handles the outputs from LipidSearch and LIQUID for lipid identification and quantification and the data from the Metabolomics Workbench. ADViSELipidomics extracts information by parsing lipid species (using LIPID MAPS classification) and, together with information available on the samples, performs several exploratory and statistical analyses.

Modeling dual drug delivery from eluting stents: the influence of non-linear binding competition and non-uniform drug loading

Objective There is increasing interest in simultaneous endovascular delivery of more than one drug from a drug-loaded stent into a diseased artery. There may be an opportunity to obtain a therapeutically desirable uptake profile of the two drugs over time by appropriate design of the initial drug distribution in the stent.

Image Scaling by de la Vallée-Poussin Filtered Interpolation

We present a new image scaling method both for downscaling and upscaling, running with any scale factor or desired size. The resized image is achieved by sampling a bivariate polynomial which globally interpolates the data at the new scale. The method's particularities lay in both the sampling model and the interpolation polynomial we use. Rather than classical uniform grids, we consider an unusual sampling system based on Chebyshev zeros of the first kind.

Switching hydrodynamics in liquid crystal devices: A simulation perspective

In liquid crystal devices it is important to understand the physics underlying their switching between different states, which is usually achieved by applying or removing an electric field. Flow is known to be a key determinant of the timescales and pathways of the switching kinetics. Incorporating hydrodynamic effects into theories for liquid crystal devices is therefore important; however this is also highly non-trivial, and typically requires the use of accurate numerical methods.

Motility-induced phase separation and coarsening in active matter

Active systems, or active matter, are self-driven systems that live, or function, far from equilibrium - a paradigmatic example that we focus on here is provided by a suspension of self-motile particles. Active systems are far from equilibrium because their microscopic constituents constantly consume energy from the environment in order to do work, for instance to propel themselves. The non-equilibrium nature of active matter leads to a variety of non-trivial intriguing phenomena.

On the mean field limit for Cucker-Smale models

In this note, we consider generalizations of the Cucker-Smale dynamical system and we derive rigorously in Wasserstein's type topologies the mean-field limit (and propagation of chaos) to the Vlasov-type equation introduced in [13]. Unlike previous results on the Cucker-Smale model, our approach is not based on the empirical measures, but, using an Eulerian point of view introduced in [9] in the Hamiltonian setting, we show the limit providing explicit constants.

Wake flow past a plate with spoiler II: Gravity effects

The effects of transverse gravity on steady flow past a split plate are investigated, by adopting the wake model proposed in the preceding paper (I). The existence and uniqueness of the solution as well as the convergence of an iteration process involving the free streamlines are proved for large Froude numbers by means of the Banach contraction mapping principle using Lipschitz norms. © 1986 Birkhäuser Verlag.

Simulating Polymerization by Boltzmann Inversion Force Field Approach and Dynamical Nonequilibrium Reactive Molecular Dynamics

The radical polymerization process of acrylate compounds is, nowadays, numerically investigated using classical force fields and reactive molecular dynamics, with the aim to probe the gel-point transition as a function of the initial radical concentration. In the present paper, the gel-point transition of the 1,6-hexanediol dimethacrylate (HDDMA) is investigated by a coarser force field which grants a reduction in the computational costs, thereby allowing the simulation of larger system sizes and smaller radical concentrations.

Approach to iron corrosion via the numerical simulation of a galvanic cell

A mathematical model of the galvanic iron corrosion is, here, presented. The iron(III)-hydroxide formation is considered together with the redox reaction. The PDE system, assembled on the basis of the fundamental holding electro-chemistry laws, is numerically solved by a locally refined FD method. For verification purpose we have assembled an experimental galvanic cell; in the present work, we report two tests cases, with acidic and neutral electrolitical solution, where the computed electric potential compares well with the measured experimental one