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1.
Nanoscale ; 16(23): 11146-11155, 2024 Jun 13.
Artigo em Inglês | MEDLINE | ID: mdl-38506642

RESUMO

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.

2.
Carbohydr Polym ; 250: 116926, 2020 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-33049840

RESUMO

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.


Assuntos
Artrite Experimental/tratamento farmacológico , Artrite Reumatoide/tratamento farmacológico , Sulfatos de Condroitina/química , Crotonatos/farmacologia , Glioma/tratamento farmacológico , Lipossomos/administração & dosagem , Nanopartículas/administração & dosagem , Toluidinas/farmacologia , Animais , Artrite Experimental/patologia , Artrite Reumatoide/patologia , Crotonatos/farmacocinética , Glioma/patologia , Humanos , Hidroxibutiratos , Lipossomos/química , Masculino , Nanopartículas/química , Nitrilas , Ratos , Ratos Wistar , Distribuição Tecidual , Toluidinas/farmacocinética , Células Tumorais Cultivadas
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