Adsorption of Dacarbazine as Anticancer Drug on Si60, C60, B30N30, Sc-Si60, Sc-C60, Sc-B30N30 Nanocages.

In this work, the capacities of Si₆₀, C₆₀, B₃₀N₃₀, Sc-Si₆₀, Sc-C₆₀, Sc-B₃₀N₃₀ to deliver the Dacarbazine are examined. The E_adoption of Sc-Si₆₀, Sc-C₆₀ and Sc-B₃₀N₃₀ are -4.45, -4.57 and -4.70 eV. The E_cohesive of Si₆₀, C₆₀ and B₃₀N₃₀ nanocages are -6.23, -6.51 and -6.86 eV, respectively and so the Si₆₀, C₆₀ and B₃₀N₃₀ nanocages are stable nanostructures. Results shown than the Sc-B₃₀N₃₀ has acceptable potential to adsorb and deliver the Dacarbazine. Results shown that the Sc-Si₆₀, Sc-C₆₀ and Sc-B₃₀N₃₀ nanocages have higher capacitates and abilities to deliver and transfer of the Dacarbazine as anticancer drug than other nanostructures in previous works. The adsorption of Dacarbazine on Si₆₀, C₆₀, B₃₀N₃₀, Sc-Si₆₀, Sc-C₆₀, Sc-B₃₀N₃₀ nanocages have the τ values ca 48.8, 51.1, 54.2, 54.9, 57.5 and 62.1 s, respectively. Finally, the Sc-B₃₀N₃₀ is proposed to adsorb and deliver the Dacarbazine. [ABSTRACT FROM AUTHOR]