Interaction Scheme

Molecule

Methyl viologen diiodide
MVI2

Host

Cx6 6c
sCx6-6C

c = 1.5 µM

Indicator

Lucigenin
Lucigenin

c = 0.5 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.90⋅105 ± 1.00⋅104 M-1
Kd =
logKa = 5.59 ± 0.01
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -31.91 ± 0.06 -7.63 ± 0.01
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 368.0 nm
𝛌em = 507.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, Y. Pan, H. Tian, SupraBank 2024, Assembly-enhanced molecular recognition of calix[6]arene (dataset). https://doi.org/10.34804/supra.2021092886

Link: https://doi.org/10.34804/supra.2021092886
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H.-W. Tian, Y.-C. Pan, D.-S. Guo, Supramolecular Chemistry 2017, 30, 562–567.

Link: https://doi.org/10.1080/10610278.2017.1413243
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of MVI2 (5.128205128205128e-05 M) and sCx6-6C (0 — 0.00010256410256410256 M).