Interaction

curated

Interaction Scheme

Molecule

Untitled
6-Methoxy-1-methylquinolinium

c = 700.0 µM

Host

Cb7
CB7

c = 0.0 — 945.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.00⋅106 ± 4.00⋅105 M-1
Kd =
logKa = 6.3 ± 0.09
T 24.0 °C ≈ 297 K
kin= 3000000000.0 ± M-1s-1
kout= 1500.0 ± s-1
Energy kJ mol-1 kcal mol-1
ΔG = -35.85 ± 0.5 -8.57 ± 0.12
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Δδbound = -1.168 ppm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Deuterium Oxide
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 (1.0e-05 M) and CB7 (0 — 2.0e-05 M).