PICT Effects and Anticancer Potential on Rosaniline and Spectral Characterisation of Rosaniline/ Cyclodextrin Covered ZnO/ Nanocrystals

Rosaniline/Cyclodextrin covered ZnO nanocrystals are synthesized and characterized by various spectral and microscopic methods. The effect of different polarities of the solvents, α-cyclodextrin (α-CD) and β-cyclodextrin (β-CD) on RND was studied by various spectral methods. The inclusion behavior of RND on both CDs was determined by PM3 method. The doping effect of RND/CD on ZnO nano investigated by UV-visible, fluorescence, FTIR, DTA, XRD, FE-SEM and TEM methods. RND molecules exhibit single emission in non-polar and aprotic solvents, whereas in water, α-CD and β-CD exhibit dual emission. Solvent and PM3 studies indicate planar intramolecular charge transfer (PICT) in RND molecules. Absence of an isosbestic point suggests a 1:2 or 1:3 inclusion complex is formed. HOMO-LUMO gap for RND/β-CD inclusion complex was more negative, which supports that this complex is more stable than RND/α-CD inclusion complex. Compared to RND/CD inclusion complex, a red or blue shifted absorption and fluorescence maximum was seen in β-CD/RND doped ZnO nanocrystals. Nanoparticle size was measured by TEM-EDS and XRD methods. Molecular docking studies shows, RND has anticancer activity against 2oh4 interacting amino acid residues.