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 = 350.0 ± 45.0 M-1
Kd =
logKa = 2.54 ± 0.06
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -14.52 ± 0.32 -3.47 ± 0.08
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 310.0 nm
𝛌em = 400.0 nm
IboundIfree = 6.0
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:

Y. Ling, J. Mague, A. Kaifer, SupraBank 2022, 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
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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
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Diquat (0.05714285714285714 M) and CB7 (0 — 0.11428571428571428 M).