Behavior of β-cyclodextrin/naproxen inclusion complex in supercritical carbon dioxide. Computer simulation

статья
Авторы публикации: 
Antipova M. L., Odintsova E. G., Petrenko V. E.
Журнал: 
Journal of Molecular Liquids
Год публикации: 
2024
Том/страницы: 
V. 407. – Art. 125234.

The research of the behavior of β-cyclodextrin/naproxen inclusion complexes in supercritical carbon dioxide in the presence of a cosolvent (ethanol) has been carried out using the molecular dynamics method. The processes of encapsulation and release of naproxen and the role of the cosolvent in the formation and destruction of the inclusion complex have been studied. The influence of cosolvent concentration, temperature and density of the supercritical fluid on the probability of encapsulation of naproxen by cyclodextrin and on the duration of existence of the inclusion complex has been considered.

Опубликовано:
Колкер Римма Семеновна
(08.10.2024)