Capsulation of methadone in polymeric layers based on magnetic nanoparticles
INORGANIC AND NANO-METAL CHEMISTRY
Authors: Khodaei, Meisam; Esmaeili, Akbar
Abstract
The aim of this research is to capsulate methadone (MTD) in polymeric layers based on layer by layer method. Fe3O4 nanoparticles (NPs) were synthesized by polyethylene glycol and modified by folic acid. MTD was conjugated to NPs and polymeric layers surrounded this nano-system. Percentage of loaded MTD, in vitro release and kinetic factors were studied. The average size of the prepared NPs was 23 nm. The surface potential of the capsule was changed from +39 to -27 mV for chitosan and alginate, respectively. In this study, a nano-system was designed to decrease methadone release rate. In vitro study indicated that MTD release was slow enough and controllable. By this designed nano-system, addicts can consume this nano-drug just two times a week.
Accessing slow diffusion in solids by employing metadynamics simulation
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Authors: Pramanik, Krishnanjan; Borah, Sangkha; Kumar, P. Padma
Abstract
Molecular dynamics (MD) is a powerful tool to investigate microscopic transport of atoms and molecules in condensed matter. However, there lies a large class of systems wherein atomic diffusion is too slow a process relative to the feasible time scales of typical atomistic simulations. Here, we demonstrate that with judicial implementation of a metadynamics (MTD) technique, the microscopic mechanism of atomic transport in solids can be accessed within a reasonable computational time. The calculations are carried out on the two end members of the true NASICON solid solutions, namely NaZr2(PO4)(3) and Na4Zr2(SiO4)(3), wherein Na+ diffusion is too slow to be accessed through standard MD simulations. The study also provides fresh insights on correlated ion hops and their implications on the effective diffusion barrier. The results are compared with climbing image nudged elastic band (CI-NEB) calculation, and available experimental results.