Interaction

curated

Interaction Scheme

Molecule

Untitled
Diquat

c = 17.7 µM

Host

Cb7
CB7

c = 0.0 — 670.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 340.0 ± 40.0 M-1
Kd =
logKa = 2.53 ± 0.05
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -14.45 ± 0.29 -3.45 ± 0.07
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
δbound⁄δfree = 6.0
Detailed information about the solvation.
Solvent System Complex Mixture
Total concentration 100.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

Y. Ling, J. Mague, A. Kaifer, SupraBank 2024, Inclusion Complexation of Diquat and Paraquat by the Hosts Cucurbit[7]uril and Cucurbit[8]uril (dataset). https://doi.org/10.34804/supra.20210928331

Link: https://doi.org/10.34804/supra.20210928331
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. Ling, J. T. Mague, A. E. Kaifer, Chem. Eur. J. 2007, 13, 7908–7914.

Link: https://doi.org/10.1002/chem.200700402
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Diquat (0.058823529411764705 M) and CB7 (0 — 0.11764705882352941 M).