DFT study on the adsorption of 5-fluorouracil on B<sub>40</sub>, B<sub>39</sub>M, and M@B<sub>40</sub>(M = Mg, Al, Si, Mn, Cu, Zn)
Li Zhang, Zi-Dan Qi, Ya‐Ling Ye, Xianghui Li, Jinghua Chen, Wei‐Ming Sun
Abstract
The adsorption of 5-fluorouracil on B 40 and its derivatives has been theoretically studied to provide some implications for the potential application of B 40 in drug delivery.
Topics & Concepts
BoronProtonationAdsorptionDensity functional theoryAtom (system on chip)Oxygen atomChemistrySubstituentCovalent bondNanomaterialsInorganic chemistryCrystallographyPhysical chemistryMaterials scienceMedicinal chemistryNanotechnologyComputational chemistryIonMoleculeOrganic chemistryComputer scienceEmbedded systemBoron and Carbon Nanomaterials ResearchBoron Compounds in ChemistryMagnesium Alloys: Properties and Applications