Interaction Scheme

Molecule

0
CA

Host

Mono%286 carboxymethylamino 6 deoxy%29 beta cd
6I-O-(1-naphtholxy)-2I,31-di-O- methylhexakis(2...

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 910.0 ± 45.0 M-1
Kd =
logKa = 2.96 ± 0.02
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -16.89 ± 0.12 -4.04 ± 0.03
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
Detailed information about the solvation.
Solvent System Buffer System 100 mM tris pH-7.2
Solvents water
Additives Trometamol
hydrochloric acid
Source of Concentration
Total concentration 100.0 mM
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, Y. Liu, J. Shi, SupraBank 2024, Novel Permethylated β-Cyclodextrin Derivatives Appended with Chromophores as Efficient Fluorescent Sensors for the Molecular Recognition of Bile Salts (dataset). https://doi.org/10.34804/supra.20210928297

Link: https://doi.org/10.34804/supra.20210928297
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. Liu, J. Shi, D.-S. Guo, J. Org. Chem. 2007, 72, 8227–8234.

Link: https://doi.org/10.1021/jo071131m
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of CA (0.02197802197802198 M) and 6I-O-(1-naphtholxy)-2I,31-di-O- methylhexakis(2II-VII,3II-VII,6II-VII-tri-O-methyl)-B-cyclodextrin (0 — 0.04395604395604396 M).