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- Wang, Yixuan; Xu, Zhenfeng
- RSC advances 2015 v.6 no.1 pp. 314-322
- adsorption; carbon nanotubes; doxorubicin; drug delivery systems; encapsulation; endothermy; heat production; protonation; solvents
- ... In the present work the adsorption of doxorubicin (DOX) on the surface of single-walled carbon nanotubes (SWCNTs) as well as its encapsulation in SWCNTs, and their dependence on the protonation of the NH₂ group of DOX, solvent, and the diameter of armchair (n, n) SWCNTs were systematically investigated using theoretical methods such as PM6-DH2 and M06-2X in the scheme of OMIOM. It was found that t ...
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