I nteractions of Dox orobocin Anticancer Agent with Different Sites o f Graphene by Using Quantum Chemical Methods

There is growing interest in t wo-dimensio nal (۲D) materials for vast varietyo f applications. In this r espect, graphene is a source of ex citing new physics. Graphene is a single lay er of graphite, and has been exten sively studie d during the past decade because of its astonishing prope rties, which are mostly attributed to quantum phenom ena from two-dimen sional confinement effects [۱]. In a perfect graphene, each c arbon atom forms ı-bonds with its three nearest neighbors (sp۲ hybridization). Sin ce ۲۰۰۸, increasing numbers of reports have exp lored the p otential of graphene for different biomedical applications [۲,۳]. Sharing a si milar chemical structure with CNTs, graphene can also be used as a dr ug delivery carrier. Simi lar to the drug loading on CNTs, th e graphene surface with delocalized ʌ electro ns can be utilized for effective loading of aromatic anticanc er drugs such as doxoru bicin. In the present s udy we inv estigate the changes in electronic structure of graphene when loaded with doxorubicin anticancer drug by the density functional theory calculations.

کلیدواژه ها:

Graphite ، Doxorobocin ، Adsorption ، Densi ty Functional Theory