Using the g-X3Y4 graphitic carbonitrile-like nanosheets and C19X fullerene derivatives as carriers for drug delivery application (and sensors for detection of the residue) of the Tofacitinib Janus kinase inhibitor

Аннотация

The probability of using eight types of nanostructures containing graphitic carbonitride-like (g-X₃Y₄) derivatives and C₁₉X fullerenes as semiconductor sensors for the detection of tofacitinib (TFC) residues has been studied using density functional theory approach. The possibility of applying these nanosheets and nanosized segments for delivery of TFC has been investigated. The results indicate that, among all considered sorbents, the most unsuitable carriers for delivery of TFC are C₂₀ fullerene due to its thermodynamically unstable adsorption complex and g-Si₃P₄ nanosheet due to its irreversible adsorption of the drug. The most suitable carrier for TFC is g-C₃N₄ due to its medium E_ads and relatively low toxicity against healthy tissues. Among all studied nanostructures, the best semiconductors for the detection of TFC residues are g-Si₃P₄ and g-C₃N₄ nanosheets and C₁₉Si fullerene, while the most unsuitable is the pristine C₂₀ fullerene due to its weakest electronic pulse.