Interaction

curated

Interaction Scheme

Molecule

Thiabendazole
Thiabendazole

c = 40.0 µM

Host

Cb7
CB7

c = 0.0 — 160.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 7.76⋅104 ± 5100.0 M-1
Kd =
logKa = 4.89 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -27.91 ± 0.16 -6.67 ± 0.04
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 302.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

Z. Tao, Q. Zhu, Q. Tang, S. Xue, Y. Huang, J. Wang, SupraBank 2024, Determination of thiabendazole in aqueous solutions using a cucurbituril-enhanced fluorescence method (dataset). https://doi.org/10.34804/supra.20240314530

Link: https://doi.org/10.34804/supra.20240314530
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. Huang, J. Wang, S.-F. Xue, Z. Tao, Q.-J. Zhu, Q. Tang, J Incl Phenom Macrocycl Chem 2011, 72, 397–404.

Link: https://doi.org/10.1007/s10847-011-9999-1
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Thiabendazole (0.0002577319587628866 M) and CB7 (0 — 0.0005154639175257732 M).