Interaction

curated

Interaction Scheme

Molecule

1 1' dimethyl 1h 1'h 4 4' bipyridinylidene
MV0

Host

Beta cd
β-CD

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1400.0 M-1
Kd =
logKa = 3.15
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.96 -4.29
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 phosphate pH-7.0
Solvents water
Source of Concentration
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

T. Matsue, T. Kato, U. Akiba, T. Osa, SupraBank 2024, INCLUSION, SOLUBILIZATION, AND STABILIZATION OF TWO-ELECTRON REDUCED SPECIES OF METHYL VIOLOGEN BY CYCLODEXTRINS (dataset). https://doi.org/10.34804/supra.20240328541

Link: https://doi.org/10.34804/supra.20240328541
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

T. Matsue, T. Kato, U. Akiba, T. Osa, Chemistry Letters 1985, 14, 1825–1828.

Link: https://doi.org/10.1246/cl.1985.1825
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of MV0 (0.014285714285714285 M) and β-CD (0 — 0.02857142857142857 M).