Interaction

curated

Interaction Scheme

Molecule

Untitled
6-Methoxy-1-methylquinolinium

c = 700.0 µM

Host

Cb7
CB7

c = 80.0 µM

Indicator

Untitled
1,3-Dimethylimidazolium

c = 130.0 — 200.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.20⋅106 ± 2.00⋅105 M-1
Kd =
logKa = 6.34 ± 0.04
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -36.2 ± 0.23 -8.65 ± 0.05
ΔH = -37.0 -8.84
-TΔS = 1.1 0.26
J mol-1 K-1 cal mol-1 K-1
ΔS = -3.7 -0.9
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: cell
Indicator: cell
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. Miskolczy, L. Biczók, J. G. Harangozó, V. Wintgens, C. Lorthioir, C. Amiel, SupraBank 2024, Effect of torsional isomerization and inclusion complex formation with cucurbit[7]uril on the fluorescence of 6-methoxy-1-methylquinolinium (dataset). https://doi.org/10.34804/supra.20210928144

Link: https://doi.org/10.34804/supra.20210928144
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Z. Miskolczy, J. G. Harangozó, L. Biczók, V. Wintgens, C. Lorthioir, C. Amiel, Photochem. Photobiol. Sci. 2014, 13, 499–508.

Link: https://doi.org/10.1039/C3PP50307K
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 6-Methoxy-1-methylquinolinium (9.090909090909091e-06 M) and CB7 (0 — 1.8181818181818182e-05 M).