Theoretical studies of phosphorene as a drug delivery nanocarrier for fluorouracil
Razieh Esfandiarpour, Farideh Badalkhani‐Khamseh, Nasser L. Hadipour
Abstract
= 298, 310, and 326 K, respectively. About 60 FLU molecules can be adsorbed on both sides of each PNS, indicating its high loading capacity. PMF calculations demonstrated that the release of FLU from PNS is not spontaneous, which is favorable from a sustained drug delivery point of view.
Topics & Concepts
PhosphoreneAdsorptionDensity functional theoryHOMO/LUMOMoleculeChemistrySolventPhysical chemistryComputational chemistryBand gapMaterials scienceOrganic chemistryOptoelectronicsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials2D Materials and Applications