Interaction

curated

Interaction Scheme

Molecule

Paraquat
paraquat ion

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.00⋅105 M-1
Kd =
logKa = 5.3
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.26 -7.23
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Potentiometry
Detailed information about the solvation.
Solvent System Buffer System 100 mM phosphate buffer pH-7.0
Solvents water
Source of Concentration estimated
Total concentration 100.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

K. Kim, Y. H. Ko, W. S. Jeon, H. Kim, SupraBank 2024, Inclusion of methylviologen in cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.20240325533

Link: https://doi.org/10.34804/supra.20240325533
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H.-J. Kim, W. S. Jeon, Y. H. Ko, K. Kim, Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 5007–5011.

Link: https://doi.org/10.1073/pnas.062656699
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of paraquat ion (0.0001 M) and CB7 (0 — 0.0002 M).