Interaction

curated

Interaction Scheme

Molecule

0
GCA

Host

Image
PM-β-CD

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 228.0 ± 10.0 M-1
Kd =
logKa = 2.36 ± 0.02
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -13.46 ± 0.11 -3.22 ± 0.03
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Detailed information about the solvation.
Solvent System Buffer System 100 mM phosphate pH-7.2
Solvents water
Source of Concentration estimated
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
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of GCA (0.08771929824561403 M) and PM-β-CD (0 — 0.17543859649122806 M).