PMID- 25256521 OWN - NLM STAT- MEDLINE DCOM- 20151013 LR - 20140926 IS - 1879-1344 (Electronic) IS - 0144-8617 (Linking) VI - 113 DP - 2014 Nov 26 TI - 2,6-Dinitroaniline and beta-cyclodextrin inclusion complex properties studied by different analytical methods. PG - 577-87 LID - S0144-8617(14)00747-4 [pii] LID - 10.1016/j.carbpol.2014.07.062 [doi] AB - The formation of supramolecular host-guest inclusion complex of 2,6-Dinitroaniline (2,6-DNA) with nano-hydrophobic cavity of beta-cyclodextrin (beta-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 beta-CD and the ground state acidity constant (pKa) of host-guest inclusion complex (2,6-DNA-beta-CD) was studied by Spectrophotometrically. The binding constant of inclusion complex at 303 K was calculated using Benesi-Hildebrand plot and thermodynamic parameter (DeltaG) were also calculated. The solid inclusion complex formation between beta-CD and 2,6-DNA was confirmed by (1)H NMR, FT-IR, XRD and SEM analysis. The beta-CD:2,6-DNA inclusion complex obtained by molecular docking studies is in good correlation with the results obtained through experimental methods. CI - Copyright (c) 2014 Elsevier Ltd. All rights reserved. FAU - Srinivasan, Krishnan AU - Srinivasan K AD - Department of Industrial Chemistry, School of Chemical Sciences, Alagappa University, Karaikudi 630 003, Tamilnadu, India. FAU - Sivakumar, Krishnamoorthy AU - Sivakumar K AD - Department of Chemistry, Sri Chandrasekharendra Saraswathi Viswa Mahavidyalaya University, Enathur, Kanchipuram 631 561, Tamilnadu, India. FAU - Stalin, Thambusamy AU - Stalin T AD - Department of Industrial Chemistry, School of Chemical Sciences, Alagappa University, Karaikudi 630 003, Tamilnadu, India. Electronic address: drstalin76@gmail.com. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20140812 PL - England TA - Carbohydr Polym JT - Carbohydrate polymers JID - 8307156 RN - 0 (Aniline Compounds) RN - 0 (Solutions) RN - 0 (beta-Cyclodextrins) RN - JV039JZZ3A (betadex) SB - IM MH - Aniline Compounds/*chemistry MH - Electrochemical Techniques MH - Magnetic Resonance Spectroscopy MH - Solutions/*chemistry MH - Spectroscopy, Fourier Transform Infrared MH - Thermodynamics MH - X-Ray Diffraction MH - beta-Cyclodextrins/*chemistry OTO - NOTNLM OT - 2,6-Dinitroaniline OT - Inclusion complex OT - Patch dock server OT - beta-Cyclodextrin EDAT- 2014/09/27 06:00 MHDA- 2015/10/16 06:00 CRDT- 2014/09/27 06:00 PHST- 2013/12/09 00:00 [received] PHST- 2014/06/27 00:00 [revised] PHST- 2014/07/20 00:00 [accepted] PHST- 2014/09/27 06:00 [entrez] PHST- 2014/09/27 06:00 [pubmed] PHST- 2015/10/16 06:00 [medline] AID - S0144-8617(14)00747-4 [pii] AID - 10.1016/j.carbpol.2014.07.062 [doi] PST - ppublish SO - Carbohydr Polym. 2014 Nov 26;113:577-87. doi: 10.1016/j.carbpol.2014.07.062. Epub 2014 Aug 12.