Interaction Scheme

Molecule

Methyl viologen
Methyl viologen

Host

Cb7
CB7

c = 100.0 µM

Indicator

Untitled
1,3-Phenylenediamine

c = 200.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.80⋅107 ± 4.00⋅106 M-1
Kd =
logKa = 7.45 ± 0.06
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -42.51 ± 0.36 -10.16 ± 0.09
ΔH = -44.1 ± 0.9 -10.54 ± 0.22
-TΔS = 1.61 ± 0.6 0.38 ± 0.14
J mol-1 K-1 cal mol-1 K-1
ΔS = -5.4 ± 2.0 -1.3 ± 0.5
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:

M. R. Avei, A. E. Kaifer, N. Dong, J. He, T. Li, A. Peralta, M. Ma, SupraBank 2022, Synthesis and Binding Properties of Monohydroxycucurbit[7]uril: A Key Derivative for the Functionalization of Cucurbituril Hosts (dataset). https://doi.org/10.34804/supra.20210928375

Link: https://doi.org/10.34804/supra.20210928375
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Dong, J. He, T. Li, A. Peralta, M. R. Avei, M. Ma, A. E. Kaifer, J. Org. Chem. 2018, 83, 5467–5473.

Link: https://doi.org/10.1021/acs.joc.8b00382
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Methyl viologen (7.142857142857143e-07 M) and CB7 (0 — 1.4285714285714286e-06 M).