Photocurable polymers are used ubiquitously in 3D printing, coatings, adhesives, and composite fillers. In the present work, the free radical polymerization of photocurable compounds is studied using reactive classical molecular dynamics combined with a dynamical approach of the nonequilibrium molecular dynamics (D-NEMD). Different concentrations of radicals and reaction velocities are considered.

We analyze a second-order accurate implicit-symplectic (IMSP) scheme for reaction-diffusion systems modeling spatiotemporal dynamics of predator-prey populations. We prove stability and errors estimates of the semi-discrete-in-time approximations, under positivity assumptions. The numerical simulations confirm the theoretically derived rates of convergence and show an improved accuracy in the second-order IMSP in comparison with the first-order IMSP, at same computational cost.

Motivation: Binary (or Boolean) matrices provide a common effective data representation adopted in several domains of computational biology, especially for investigating cancer and other human diseases. For instance, they are used to summarize genetic aberrations--copy number alterations or mutations--observed in cancer patient cohorts, effectively highlighting combinatorial relations among them. One of these is the tendency for two or more genes not to be co-mutated in the same sample or patient, i.e. a mutual-exclusivity trend.

In this work we have studied in situ the formation and growth of calcium phosphate (CaP) nanoparticles (NPs) in the presence of three calcium-binding carboxylate molecules having different affinities for Ca2+ ions: citrate (Cit), hydroxycitrate (CitOH), and glutarate (Glr). The formation of CaP NPs at several reaction temperatures ranging from 25 degrees C to 80 degrees C was monitored in situ through simultaneous Small and Wide X-ray Scattering (SAXS/WAXS) using synchrotron light. SAXS was used to investigate the first stages of NP formation where a crystalline order is not yet formed.

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.

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.

Objective The immune response arises from a fne balance of mechanisms that provide for surveillance, tolerance, and elimination of dangers. Sulfavant A (SULF A) is a sulfolipid with a promising adjuvant activity. Here we studied the mechanism of action of SULF A and addressed the identifcation of its molecular target in human dendritic cells (hDCs). Methods Adjuvant efect and immunological response to SULF A were assessed on DCs derived from human donors.

The dynamic behavior of a self-propelled semiflexible filament of length L is con- sidered under the action of a linear shear flow. The system is studied by using Brownian multi-particle collision dynamics. The system can be characterized in terms of the persistence length Lp of the chain, of the Peclet number, and of the Weissenberg number. The quantity Lp/L measures the bending rigidity of the polymer, the Peclet number Pe is the ratio of active force times L to thermal energy, and the Weissenberg number Wi characterizes the flow strength over thermal effects.

Background Imprinting Control Regions (ICRs) are CpG-rich sequences acquiring differential methylation in the female and male germline and maintaining it in a parental origin-specific manner in somatic cells. Despite their expected high mutation rate due to spontaneous deamination of methylated cytosines, ICRs show conservation of CpG-richness and CpG-containing transcription factor binding sites in mammalian species.