Interaction Scheme

Molecule

Paraquat
paraquat ion

c = 36.8 µM

Host

Cb7
CB7

c = 1000.0 µM

Indicator

Untitled
Na+

c = 50000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.45⋅105 ± 5.20⋅104 M-1
Kd =
logKa = 5.54 ± 0.07
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -31.61 ± 0.38 -7.55 ± 0.09
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 355.0 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:

V. Sindelar, M. S. A. Khan, M. Necas, D. Heger, SupraBank 2022, Remarkable Salt Effect on Stability of Supramolecular Complex between Modified Cucurbit[6]uril and Methylviologen in Aqueous Media (dataset). https://doi.org/10.34804/supra.2021092833

Link: https://doi.org/10.34804/supra.2021092833
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. S. A. Khan, D. Heger, M. Necas, V. Sindelar, J. Phys. Chem. B 2009, 113, 11054–11057.

Link: https://doi.org/10.1021/jp9059906
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of paraquat ion (5.797101449275362e-05 M) and CB7 (0 — 0.00011594202898550724 M).