ريحانه بافروني

Nowadays, the use of nanocarriers for drug delivery is very common and desirable. One of the most widely used and biocompatible nanocarriers is graphene quantum dots. In this thesis, with the help of the density function method and quantum mechanics calculations, the interaction between the anticancer drug niclosamide and graphene quantum dots is investigated. Various types of structures of graphene quantum dots with 120 atoms were investigated to eva‎luate better drug delivery. Pure and contaminated structures were considered as nanocarriers. The results showed that contamination of the structure with elements such as nitrogen, aluminum, phosphorus, and boron had a significant impact on the electrical and chemical properties of graphene quantum dots. The best performance of drug delivery and drug interaction is shown in quantum dots doped with Al-P and Al-N, and these quantum dots have absorption in the near-infrared region, which shows their usefulness in bioimaging and biological marking. to give Key words: cancer, graphene quantum dots, niclosamide, quantum mechanical calculations

سرطان،نقاط كوانتومي گرافن،نيكلوزآميد،محاسبات مكانيك كوانتومي

Cancer, graphene quantum dots, niclosamide, quantum mechanical calculations

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