Interaction Scheme

Molecule

0
TCA

Host

Image
6I-O-(8-hydroxyquinoline)-2I,31- di-O-methylhex...

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8710.0 ± 270.0 M-1
Kd =
logKa = 3.94 ± 0.01
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -22.49 ± 0.08 -5.38 ± 0.02
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
Export: BibTex | RIS | EndNote
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
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of TCA (0.002296211251435132 M) and 6I-O-(8-hydroxyquinoline)-2I,31- di-O-methylhexakis(2II-VII,3II-VII,6II-VII- tri-O-methyl)-B-cyclodextrin (0 — 0.004592422502870264 M).