Fluorinated graphene as an anticancer nanocarrier: an experimental and DFT study

Area of Science:

• Materials Science
• Nanotechnology
• Biomedical Engineering

Background:

• Fluorinated graphene (FG) possesses unique properties but faces limitations in biological applications due to hydrophobicity and inertness.
• The use of FG as a drug nanocarrier and its interaction mechanisms remain underexplored.
• Developing functionalized FG is crucial for advancing its biomedical potential.

Purpose of the Study:

• To investigate the potential of fluorinated graphene oxide (FGO) as a nanocarrier for doxorubicin (DOX).
• To explore the application of FGO in cancer chemo-photothermal therapy.
• To elucidate the interaction mechanisms between FGO and DOX using computational methods.

Main Methods:

• Synthesis of stable and well-dispersed fluorinated graphene oxide (FGO) via a mild method.
• Investigation of FGO-DOX interaction using Density Functional Theory (DFT).
• Evaluation of FGO's photothermal performance, drug loading capacity, pH-triggered release, cytotoxicity, and combination therapy effects.

Main Results:

• FGO demonstrated excellent photothermal conversion efficiency in the near-infrared (NIR) region.
• High doxorubicin (DOX) loading capacity exceeding 200% was achieved.
• pH-triggered drug release, low cytotoxicity, and effective combination therapy effects were observed.
• DFT analysis confirmed non-covalent interactions as the primary mechanism for DOX loading and release, with fluorine enhancing active sites.

Conclusions:

• Fluorinated graphene oxide (FGO) serves as an effective nanocarrier for doxorubicin (DOX) delivery.
• The study provides insights into the drug-loading and release mechanisms driven by non-covalent interactions.
• This work broadens the application scope of fluorinated graphene in novel drug delivery systems and combination cancer therapy.