Interaction Scheme

Molecule

Methyl viologen diiodide
MVI2

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 9.26⋅105 ± 8000.0 M-1
Kd =
logKa = 5.97 ± 0.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -34.06 ± 0.02 -8.14 ± 0.0
ΔH = -27.2 ± 0.2 -6.5 ± 0.05
-TΔS = -6.79 ± 0.18 -1.62 ± 0.04
J mol-1 K-1 cal mol-1 K-1
ΔS = 22.8 ± 0.6 5.4 ± 0.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Detailed information about the solvation.
Solvent System Single Solvent
Solvent
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

H. Qian, Y. Liu, D. Guo, SupraBank 2024, Cucurbituril‐Modulated Supramolecular Assemblies: From Cyclic Oligomers to Linear Polymers (dataset). https://doi.org/10.34804/supra.20210928194

Link: https://doi.org/10.34804/supra.20210928194
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Qian, D. S. Guo, Y. Liu, Chem. Eur. J. 2012, 18, 5087–5095.

Link: https://doi.org/10.1002/chem.201101904
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of MVI2 (2.1598272138228943e-05 M) and sCx4 (0 — 4.3196544276457885e-05 M).