title: Spectral and electrochemical study of host-guest inclusion complex between 2,4-dinitrophenol and β-cyclodextrin.
abstract: The formation of host-guest inclusion complex of 2,4-dinitrophenol (2,4-DNP) with nano-hydrophobic cavity of β-cyclodextrin (β-CD) in solution phase was studied by UV-visible spectrophotometer and electrochemical method (cyclic voltammetry, CV). The prototropic behaviors of 2,4-DNP with and without β-CD and the ground state acidity constant (pK(a)) of host-guest inclusion complex (2,4-DNP-β-CD) were studied. The binding constant of inclusion complex at 303K was calculated using Benesi-Hildebrand plot and thermodynamic parameter (ΔG) was also calculated. The solid inclusion complex formation between β-CD and 2,4-DNP was confirmed by (1)H NMR, FT-IR, XRD and SEM analysis. A schematic representation of this inclusion process is proposed by molecular docking studies using PatchDock server.
authors.affiliation: Photoelectrochemical Research Lab, School of Chemical Sciences, Department of Industrial Chemistry, Alagappa University, Karaikudi 630003, Tamilnadu, India.
authors.forename: K
authors.initials: K
authors.lastname: Srinivasan
authors.forename: T
authors.initials: T
authors.lastname: Stalin
authors.forename: K
authors.initials: K
authors.lastname: Sivakumar
mesh_terms: D019297:2,4-Dinitrophenol / Q000737:chemistry*; D000042:Absorption; D002021:Buffers; D055664:Electrochemical Techniques / Q000379:methods*; D006863:Hydrogen-Ion Concentration; D009682:Magnetic Resonance Spectroscopy; D008855:Microscopy, Electron, Scanning; D008958:Models, Molecular; D008968:Molecular Conformation; D011522:Protons; D012996:Solutions; D017550:Spectroscopy, Fourier Transform Infrared; D014961:X-Ray Diffraction; D047392:beta-Cyclodextrins / Q000737:chemistry*
chemical_list: D002021:Buffers; D011522:Protons; D012996:Solutions; D047392:beta-Cyclodextrins; C031215:betadex; D019297:2,4-Dinitrophenol