Understanding the adsorption performance of hetero-nanocages (C<sub>12</sub>–B<sub>6</sub>N<sub>6</sub>, C<sub>12</sub>–Al<sub>6</sub>N<sub>6</sub>, and B<sub>6</sub>N<sub>6</sub>–Al<sub>6</sub>N<sub>6</sub>) towards hydroxyurea anticancer drug: a comprehensive study using DFT
Mithila Roy Swarna, Mehedi Hasan Opi, Tanvir Ahmed, Afiya Akter Piya, Umme Habiba, Siraj Ud Daula Shamim
Abstract
DFT investigation demonstrates that C 12– Al 6 N 6 and B 6 N 6 –Al 6 N 6 hetero-nanocages could be suitable carriers for HU drug than C 24 , B 12 N 12 , and Al 12 N 12 pristine nanocages.
Topics & Concepts
NanocagesAdsorptionMaterials scienceCrystallographyNanotechnologyChemistryPhysical chemistryCatalysisBiochemistryBoron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsBoron Compounds in Chemistry