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Abstract
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Flutamide is used with a luteinizing hormone-releasing hormone agonist, a type
of hormonal injection such as leuprolide, goserelin, or triptorelin to treat certain types of prostate
cancer. Flutamide is in a class of medications called nonsteroidal antiandrogens. Ethyleneimine
is used in polymerization products; as a monomer for polyethyleneimine; as a comonomer for polymers
and in paper and textile chemicals, adhesives, and binders. This study applied ethyleneimine to modify
Flutamide as an anti-cancer drug. Therefore, an investigation of the adsorption behavior and electronic
properties of carbon nanotubes and nanocones against flutamide @ ethyleneimine was carried out
by calculation of the density functional theory. The N atom of flutamide @ ethyleneimine helps its
adsorption on the nanotubes and nanocones, showing adsorption energies of around - 30.1 and - 20.5 kcal/mol,
correspondingly. Chemical activities of the nano complexes were specified through electronic
parameters such as electronegativity, electron affinity, softness, and hardness. All calculated data
obtained good behavior of flutamide @ ethyleneimine with nanotubes and nanocones adsorption
as a carrier.
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