title: 2,6-Dinitroaniline and β-cyclodextrin inclusion complex properties studied by different analytical methods.
abstract: The formation of supramolecular host-guest inclusion complex of 2,6-Dinitroaniline (2,6-DNA) with nano-hydrophobic cavity of β-cyclodextrin (β-CD) in solution phase were studied by UV-visible spectrophotometer and electrochemical method (cyclic voltammetry, CV). The prototropic behaviors of 2,6-DNA with and without β-CD and the ground state acidity constant (pKa) of host-guest inclusion complex (2,6-DNA-β-CD) was studied by Spectrophotometrically. The binding constant of inclusion complex at 303 K was calculated using Benesi-Hildebrand plot and thermodynamic parameter (ΔG) were also calculated. The solid inclusion complex formation between β-CD and 2,6-DNA was confirmed by (1)H NMR, FT-IR, XRD and SEM analysis. The β-CD:2,6-DNA inclusion complex obtained by molecular docking studies is in good correlation with the results obtained through experimental methods.
authors.affiliation: Department of Industrial Chemistry, School of Chemical Sciences, Alagappa University, Karaikudi 630 003, Tamilnadu, India.
authors.forename: Krishnan
authors.initials: K
authors.lastname: Srinivasan
authors.affiliation: Department of Chemistry, Sri Chandrasekharendra Saraswathi Viswa Mahavidyalaya University, Enathur, Kanchipuram 631 561, Tamilnadu, India.
authors.forename: Krishnamoorthy
authors.initials: K
authors.lastname: Sivakumar
authors.affiliation: Department of Industrial Chemistry, School of Chemical Sciences, Alagappa University, Karaikudi 630 003, Tamilnadu, India. Electronic address: drstalin76@gmail.com.
authors.forename: Thambusamy
authors.initials: T
authors.lastname: Stalin
mesh_terms: D000814:Aniline Compounds / Q000737:chemistry*; D055664:Electrochemical Techniques; D009682:Magnetic Resonance Spectroscopy; D012996:Solutions / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013816:Thermodynamics; D014961:X-Ray Diffraction; D047392:beta-Cyclodextrins / Q000737:chemistry*
chemical_list: D000814:Aniline Compounds; D012996:Solutions; D047392:beta-Cyclodextrins; C031215:betadex
keywords: 2,6-Dinitroaniline; Inclusion complex; Patch dock server; β-Cyclodextrin