International Journal of New Chemistry
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Fullerene (C24) as a Nano-carrier, Adsorbent, and Sensor for the Drug Delivery, Removal, and Detection of Fosfomycin: DFT Studies

Document Type : Research Paper

Authors

Somayeh Sattari alamdar 1
Anita Azimian 2

1 Department of Organic Chemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran

2 Department of Chemistry, Payame Noor University, P.O. Box 19395-3697, Tehran, Iran

https://doi.org/10.22034/ijnc.2024.715922
Abstract
The research conducted on the applicability of fullerene (C24) 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 (C24) 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 C24 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 C24 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 7.687 eV to 4.389 eV when fosfomycin adsorbs on its surface. This finding indicates that C24 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 C24 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 C24 as a carrier.

Keywords

Density functional theory
Adsorption
Fosfomycin
Drug delivery
Subjects
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International Journal of New Chemistry
Volume 12, Issue 2 - Serial Number 2
Winter 2025
Pages 159-165

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