Multi-sulfonated ligands on gold nanoparticles as virucidal antiviral for Dengue virus

Dengue virus (DENV) causes 390 million infections per year. Infections can be asymptomatic or range from mild fever to severe haemorrhagic fever and shock syndrome. Currently, no effective antivirals or safe universal vaccine is available. In the present work we tested different gold nanoparticles (AuNP) coated with ligands ω-terminated with sugars bearing multiple sulfonate groups. We aimed to identify compounds with antiviral properties due to irreversible (virucidal) rather than reversible (virustatic) inhibition. The ligands varied in length, in number of sulfonated groups as well as their spatial orientation induced by the sugar head groups. We identified two candidates, a glucose- and a lactose-based ligand showing a low EC50 (effective concentration that inhibit 50% of the viral activity) for DENV-2 inhibition, moderate toxicity and a virucidal effect in hepatocytes with titre reduction of Median Tissue Culture Infectious Dose log10TCID50 2.5 and 3.1. Molecular docking simulations complemented the experimental findings suggesting a molecular rationale behind the binding between sulfonated head groups and DENV-2 envelope protein

Streamwise oscillations of a cylinder beneath a free surface: Free surface effects on vortex formation modes

A computational study of a viscous incompressible two-fluid model with an oscillating cylinder is investigated at a Reynolds number of 200 and at a dimensionless displacement amplitude of A = 0.13 and for the dimensionless forcing cylinder oscillation frequency-to-natural vortex shedding frequency ratios, f/f(0) = 1.5, 2.5, 3.5. Specifically, two-dimensional flow past a circular cylinder subject to forced in-line oscillations beneath a free surface is considered. The method is based on a finite volume discretization of the two-dimensional continuity and unsteady Navier-Stokes equations (when a solid body is present) on a fixed Cartesian grid. Two-fluid model based on improved volume-of-fluid method is used to discretize the free surface interface. The study focuses on the laminar asymmetric flow structure in the near wake region and lock-on phenomena at a Froude number of 0.2 and for the dimensionless cylinder submergence depths, h = 0.25, 0.5 and 0.75. The equivorticity patterns and pressure distribution contours are used for the numerical flow visualization. The code validations in special cases show good comparisons with previous numerical results