Adsorption of adipic acid in Al/B-N/P nanocages: DFT investigations

Drug delivery clusters based on nanocages recently have been the most capable to study. Adipic acid (ADPA) interaction mechanism over of X(Al/B)12Y(N/P)12 was investigated. We analyzed various electronic, chemical, and spectroscopic properties with adsorbed ADPA molecule. Adsorption energies were calculated study adsorption nanocages. Raman enhanced surface scattering is used track drug as an effective approach vibrational spectroscopy. Detection has investigated using SERS Title acts a donor electrons adsorbs at electrophilic site Variations in chemical descriptors recognize sensing property ADPA-nanocages are also noted. Analysis explains enhancement which makes it possible detect other products.Graphical abstract • Interaction adipic fullerene-like metal nanocages• Enhancement spectral properties• Changes charge transfer values nanocage-drug system• Docking studies identify