Preparation and characterizations of solid/aqueous phases inclusion complex of 2,4-dinitroaniline with β-cyclodextrin.
The formation of host-guest inclusion complex of 2,4-dinitroaniline (2,4-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 2,4-DNA with and without β-CD was studied by spectrophotometrically. The binding constant of the inclusion complex at 303K was calculated using Benesi-Hildebrand plot and thermodynamic parameter (ΔG) were also calculated. The inclusion complex formation between β-CD and 2,4-DNA was confirmed by (1)H NMR, 2D ROESY NMR, FT-IR, XRD and SEM analysis. The 2,4-DNA:β-CD inclusion complex was obtained by molecular docking studies and it was good correlation with the results obtained through experimental methods.
Department of Industrial Chemistry, School of Chemical Sciences, Alagappa University, Karaikudi 630 003, Tamil Nadu, India. Electronic address: tstalinphd@rediffmail.com.
Thambusamy
T
Stalin
Department of Industrial Chemistry, School of Chemical Sciences, Alagappa University, Karaikudi 630 003, Tamil Nadu, India.
Krishnan
K
Srinivasan
Department of Chemistry, Sri Chandrasekharendra Saraswathi Viswa Mahavidyalaya University, Enathur, Kanchipuram 631 561, Tamil Nadu, India.
Krishnamoorthy
K
Sivakumar
Central Electrochemical Research Institute, Karaikudi 630 006, Tamil Nadu, India.
S
S
Radhakrishnan
D000814:Aniline Compounds / Q000378:metabolism*; D002236:Carbohydrate Conformation; D004563:Electrochemistry; D004785:Environmental Pollutants / Q000378:metabolism*; D006863:Hydrogen-Ion Concentration; D062105:Molecular Docking Simulation; D011789:Quantum Theory; D013696:Temperature; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*; D047392:beta-Cyclodextrins / Q000737:chemistry* / Q000378:metabolism*
D000814:Aniline Compounds; D004785:Environmental Pollutants; D047392:beta-Cyclodextrins; D014867:Water; C010934:2,4-dinitroaniline
2,4-Dinitroaniline; 2D ROESY NMR; Inclusion complex; Patch dock server; β-Cyclodextrin