Interaction

curated

Interaction Scheme

Molecule

Untitled
Bisphenol A

c = 10.0 µM

Host

Beta cd
β-CD

c = 0.0 — 2000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8.00⋅104 ± 1.20⋅104 M-1
Kd =
logKa = 4.9 ± 0.07
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -27.99 ± 0.37 -6.69 ± 0.09
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 276.0 nm
𝛌em = 305.0 nm
Ibound⁄Ifree = 23.0
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

S. Chelli, M. Majdoub, M. Jouini, S. Aeiyach, F. Maurel, K. I. Chane-Ching, P. Lacaze, SupraBank 2024, Host–guest complexes of phenol derivatives with β-cyclodextrin: an experimental and theoretical investigation (dataset). https://doi.org/10.34804/supra.20210928257

Link: https://doi.org/10.34804/supra.20210928257
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Chelli, M. Majdoub, M. Jouini, S. Aeiyach, F. Maurel, K. I. Chane-Ching, P.-C. Lacaze, J. Phys. Org. Chem. 2007, 20, 30–43.

Link: https://doi.org/10.1002/poc.1122
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Bisphenol A (0.00025 M) and β-CD (0 — 0.0005 M).