Applying non-parametric statistical methods to the classical measurements of inclusion complex binding constants

López, Enrique Guillén; Bosque-Sendra, Juan M.; Cuadros-Rodrı́guez, Luis; Garcı́a-Campaña, Ana M.; Aaron, J. J.

doi:10.1007/s00216-002-1693-0

Cited by 16 publications

(2 citation statements)

References 31 publications

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“…Independent evidence of the formation of discrete 1:1 inclusion complexes is provided by isothermal UV-Vis, NMR, and calorimetric titrations for 2,4-D and 2,4-DCP with β-CD [49,50,51]. The 1:1 binding constants were estimated in aqueous solution at variable pH conditions relative to this sorption study ( cf .…”

Section: Resultsmentioning

confidence: 99%

Sorption of Aromatic Compounds with Copolymer Sorbent Materials Containing β-Cyclodextrin

Wilson

Mohamed²,

Berhaut

2011

Materials

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Urethane copolymer sorbent materials that incorporate β-cyclodextrin (CD) have been prepared and their sorption properties with chlorinated aromatic compounds (i.e., pentachlorophenol, 2,4-dichlorophenol and 2,4-dichlorophenoxy acetic acid) have been evaluated. The sorption properties of granular activated carbon (GAC) were similarly compared in aqueous solution at variable pH conditions. The sorbents displayed variable BET surface areas as follows: MDI-X copolymers (< 101 m2/g), CDI-X copolymers (< 101 m2/g), and granular activated carbon (GAC ~103 m2/g). The sorption capacities for the copolymers sorbents are listed in descending order, as follows: GAC > CDI-3 copolymer ≈ MDI-3 copolymer. The sorption capacity for the aromatic adsorbates with each sorbent are listed in descending order, as follows: 2,4-dichlorophenol > 2,4-dichlorophenoxy acetic acid > pentachlorophenol. In general, the differences in the sorption properties of the copolymer sorbents with the chlorinated organics were related to the following factors: (i) surface area of the sorbent; (ii) CD content and accessibility; and (iii) and the chemical nature of the sorbent material.

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Section: Resultsmentioning

confidence: 99%

Sorption of Aromatic Compounds with Copolymer Sorbent Materials Containing β-Cyclodextrin

Wilson

Mohamed²,

Berhaut

2011

Materials

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“…The binding constant ( K b ) between 3N + and CyD was determined by using Benesi–Hilderbrand’s double reciprocal plot for a 1:1 complex according to the following equation: 1 I − I 0 = 1 I − I 0 + 1 ( I 1 − I 0 ) K normalb nobreak0em0.25em⁡ 1 false[ CyD false] where I 0 , I , and I 1 are the fluorescence intensities of the free 3N + , 3N + /CyD mixture, and 3N + /CyD complex, respectively . The plot of 1/( I – I 0 ) against the reciprocal molar concentration of CyD provides the y -intercept as 1/( I 1 – I 0 ) and the gradient as 1/( I 1 – I 0 ) K b .…”

Section: Resultsmentioning

confidence: 99%

Inclusion Complexes between Amphiphilic Phenyleneethynylene Fluorophores and Cyclodextrins in Aqueous Media

Siripornnoppakhun

Niamnont²,

Krumsri

et al. 2012

J. Phys. Chem. B

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Binding events of cyclodextrins (CyD's) in aqueous media are important for designing and explaining the host-guest chemistry applied in sensing and controlled release systems. A water-soluble tricationic compound (3N(+)) with three branches of phenyleneethynylene fluorescent moieties and its related amphiphilic compounds (3C(-), N(0)N(+), N(+), and 2N(+)) are employed as molecular probes in the systematic characterization of the supramolecular interactions with CyD's (α, β, and γ). The strong fluorescence enhancement, combined with induced circular dichroism (CD) signals and (1)H NMR data, is evidence of 1:1 static inclusion complexes of 3N(+)/γ-CyD and 2N(+)/γ-CyD. 3N(+) presents a structural design which can form inclusion complexation with γ-CyD with one of the highest binding constants of 3.0 × 10(4). The relatively moderate fluorescence enhancement, shift of (1)H NMR signals, and weak induced CD signals indicate fast exchange complexation of β-CyD with the amphiphilic guest molecules. The interaction with α-CyD is perceived only for N(0)N(+), the only nonbranched fluorescent guest model, via its strong fluorescence enhancement. However, the lack of (1)H NMR signal splitting and the lack of induced CD signals suggest the noninclusion mode of binding between N(0)N(+) and α-CyD.

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Complexation of niflumic acid with native and hydroxypropylated α‐ and β‐cyclodextrins in aqueous solution

Zielenkiewicz

Терехова

Koźbiał

et al. 2008

J of Physical Organic Chem

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Interactions between niflumic acid and native and hydroxypropylated α‐ and β‐cyclodextrins (CDs) were investigated by 1H NMR, UV‐vis spectroscopy, densimetry, and calorimetry at pH = 7.4 (phosphate buffer) and T = 298.15 K. Thermodynamic parameters of 1:1 complex formation were calculated and discussed in terms of influence of cavity size and availability of hydroxypropyl substituents on the complex stability. The 1H NMR data indicated the inclusion of niflumic acid into macrocyclic cavity of all CDs under study. It was found that both phenyl and pyridine rings of niflumic acid molecule can be included in the cyclodextrin cavity. The co‐existence of two different kinds of 1:1 inclusion complexes in the solution was suggested. In spite of the fact that binding of niflumic acid with α‐cyclodextrin is more enthalpically favorable, stability of the inclusion complexes is very low due to the enthalpy–entropy compensation effect. Complex formation of β‐CDs with niflumic acid is characterized by the higher enthalpy and entropy changes caused by more intense dehydration. Introduction of hydroxypropyl groups in the cyclodextrin molecule was found to promote the binding with niflumic acid. Copyright © 2008 John Wiley & Sons, Ltd.

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Applying non-parametric statistical methods to the classical measurements of inclusion complex binding constants

Cited by 16 publications

References 31 publications

Sorption of Aromatic Compounds with Copolymer Sorbent Materials Containing β-Cyclodextrin

Sorption of Aromatic Compounds with Copolymer Sorbent Materials Containing β-Cyclodextrin

Inclusion Complexes between Amphiphilic Phenyleneethynylene Fluorophores and Cyclodextrins in Aqueous Media

Complexation of niflumic acid with native and hydroxypropylated α‐ and β‐cyclodextrins in aqueous solution

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