Fullerene (C۲۴) as a Nano-carrier, Adsorbent, and Sensor for the Drug Delivery, Removal, and Detection of Fosfomycin: DFT Studies

The research conducted on the applicability of fullerene (C۲۴) as a nano-carrier, adsorbent, and sensing material for the drug delivery, removal, and detection of fosfomycin has provided valuable insights. The findings suggest that fullerene (C۲۴) shows promise in various applications related to fosfomycin. The negative values of adsorption energies, Gibbs free energy changes, and enthalpy variations indicate that the interaction between fosfomycin and fullerene is not only possible but also spontaneous and exothermic. This suggests that C۲۴ has the potential to be an effective adsorbent for the removal of fosfomycin from environmental samples. Furthermore, the NBO computations revealed that the existing interactions between fosfomycin and C۲۴ have a physisorption nature. This information is crucial in understanding the mechanism of interaction between the two substances. The computed frontier molecular orbital parameters showed a significant decline in the bandgap of fullerene from ۷.۶۸۷ eV to ۴.۳۸۹ eV when fosfomycin adsorbs on its surface. This finding indicates that C۲۴ can be utilized as an electrocatalytic modifier for the development of a novel sensor for the electrochemical detection of fosfomycin. This has significant implications for the development of new and improved methods for detecting this antibiotic. This suggests that C۲۴ can serve as an appropriate carrier for the targeted delivery of fosfomycin. This finding opens up possibilities for the development of targeted drug delivery systems using C۲۴ as a carrier.

کلیدواژه ها:

density functional theory ، Adsorption ، Fosfomycin ، Drug Delivery