Large-scale ab initio Meta-Dynamics simulations were applied to elucidate the molecular mechanism and reaction free energies of pyrophyllite dissolution at (1 1 0) edge surface in pure water close neutral pH under far from equilibrium conditions. The simulation setup allows realistic representation clay mineral explicit consideration solvent dynamics finite temperature. reveals that a single te...

ZnO NPs (zinc oxide nanoparticles) has generated significant scientific interest as a novel antibacterial and anticancer agent. Since oxidative stress is a critical determinant of ZnO NPs-induced damage, it is necessary to characterize their underlying mode of action. Different structural and physicochemical properties of ZnO NPs such as particle surface, size, shape, crystal structure, chemica...

Metformin hydrochloride is recommended globally as first line therapy due to its favorable profile on morbidity and mortality associated with type-2 diabetes mellitus. However, limitations of multiple dosing and risk of triggering gastrointestinal symptoms make its dose optimization difficult. Extended-release metformin matrix tablets were prepared by direct compression of drug and different pH...

We present N -body simulations of dissolving star clusters close to galactic centres. For this purpose, we developed a new N -body program called nbody6gc based on Aarseth’s series of N -body codes. We describe the algorithm in detail. We report about the density wave phenomenon in the tidal arms which has been recently explained by Küpper et al. (2008). Standing waves develop in the tidal arms...