Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1036, Issue -, Pages 494-504Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2012.10.018
Keywords
2,6-Dinitrophenol; beta-Cyclodextrin; Inclusion complex; Cyclic voltammetry; PatchDock server
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Funding
- Alagappa University, Karaikudi [A13/AURF-IC/1264/2010]
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The inclusion complex of 2,6-dinitrophenol (2,6-DNP) with beta-cyclodextrin (beta-CD) in solution phase was studied by UV-visible spectrophotometer and electrochemical (cyclic voltammetry) methods. The proto-tropic behaviors of 2,6-DNP were studied. The binding constant of 'beta-CD:2,6-DNP' inclusion complex was calculated using Benesi-Hildebrand plot at 303 K. Thermodynamic parameter (Delta G) involved in the complex formation also calculated. It indicates that the reaction is spontaneous and exergonic process. Formation of solid inclusion complex between beta-CD and 2,6-DNP was characterized by H-1 NMR, FT-IR, XRD techniques and SEM morphological studies. The beta-CD:2,6-DNP inclusion complex obtained by molecular docking studies is in good correlation with the results obtained through experimental methods. (C) 2012 Elsevier B.V. All rights reserved.
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