ABSTRACT
We performed parallel-tempering molecular dynamics simulations to predict the temperature- and size-dependent equilibrium shapes of a series of Cu nanocrystals in the 100- to 200-atom size range. Our study indicates that temperature-dependent, solid-solid shape transitions occur frequently for Cu nanocrystals in this size range. Complementary calculations with electronic density functional theory indicate that vibrational entropy favors nanocrystals with a shape intermediate between a decahedron and an icosahedron. Overall, we find that entropy plays a significant role in determining the shapes Cu nanocrystals, so studies aimed at determining minimum-energy shapes may fail to correctly predict shapes observed at experimental temperatures. We also observe significant shape changes with nanocrystal size - sometimes with changes in a single atom. The information from this study could be useful in efforts to devise processing routes to achieve selective nanocrystal shapes.
ABSTRACT
This research aims to coat Teriflunomide (TEF) loaded conventional nanoliposomes (CON-TEF-LIPO) with Chondroitin sulphate (CS) to produce CS-TEF-LIPO for the effective treatment of Rheumatoid arthritis (RA). Both CON-TEF-LIPO and CS-TEF-LIPO were produced, characterized and evaluated for their active targeting potential towards CD44 receptors. Cell cytotoxicity, cell viability and intracellular uptake study on differentiated U937 and MG-63 cells demonstrated the active targeting of CS-TEF-LIPO towards CD44 receptors. Furthermore, in vivo pharmacodynamic, biochemical, radiological and histopathological studies performed in adjuvant induced arthritic (AIA) rat model showed a significant (P < 0.05) reduction in inflammation in arthritic rat paw in CS-TEF-LIPO group compared to TEF and CON-TEF-LIPO groups. Moreover, liver toxicity study revealed that CS-TEF-LIPO showed no signs of toxicity and biodistribution study revealed the accumulation of CS-TEF-LIPO in synovial region of arthritic rat. Taken together, results suggest that CS-TEF-LIPO could provide a new insight for an effective treatment of RA.
