2,6-Dinitroaniline and β-cyclodextrin inclusion complex properties studied by different analytical methods

Carbohydr Polym. 2014 Nov 26:113:577-87. doi: 10.1016/j.carbpol.2014.07.062. Epub 2014 Aug 12.

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.

Keywords: 2,6-Dinitroaniline; Inclusion complex; Patch dock server; β-Cyclodextrin.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Aniline Compounds / chemistry*
  • Electrochemical Techniques
  • Magnetic Resonance Spectroscopy
  • Solutions / chemistry*
  • Spectroscopy, Fourier Transform Infrared
  • Thermodynamics
  • X-Ray Diffraction
  • beta-Cyclodextrins / chemistry*

Substances

  • Aniline Compounds
  • Solutions
  • beta-Cyclodextrins
  • betadex