Binding affinity of fullerenes C20, C36, C60, C70 and C84 for amyloid beta fibrils is studied by docking and all-atom molecular dynamics simulations with the Amber force field and water model TIP3P. Using the molecular mechanic-Poisson Boltzmann surface area method one can demonstrate that the binding free energy linearly decreases with the number of carbon atoms of fullerene, i.e. the larger i...

Dioxin-like polychlorinated biphenyls (DL-PCBs) are a class of persistent toxic substances with high potential to accumulate in the soil as an organic pollutant and bioaccumulate humans. The study determined level human health risk twelve (12) DL-PCBs soils from mechanic workshops within Nekede village (NMV), Imo State. In this study, samples (0–15 cm depth) were collected at four different sam...

This paper deals with the estimation of the distance between the solution of a static linear mechanic problem and its approximation by the finite element method solved with a non-overlapping domain decomposition method (FETI or BDD). We propose a new strict upper bound of the error which separates the contribution of the iterative solver and the contribution of the discretization. Numerical ass...

Introduction: Organization structure and manpower constitute two basiccomponents of anorganization and both are necessary for stablishing anorganization. The aim of this survey was to investigate the type of theorganization structure (mechanic and organic) from viewpoint of senior andjunior managers in Shiraz teaching hospitals and creativity in each of these two structures.Methods: In this cro...