Interaction

curated

Interaction Scheme

Molecule

Methyl viologen
Methyl viologen

Host

Carboxybenzyl bu
Dodeca(4-carboxybenzyl)bambus[6]uril

Cofactor

Chloride
Cl-

c = 50000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 990.0 M-1
Kd =
logKa = 3.0
T 30.0 °C ≈ 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.39 -4.16
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Δδbound = 0.11 ppm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents Deuterium Oxide
Additives Dipotassium deu... 30.0 mM
Total concentration 30.0 mM
pH 8.0
Please find here information about the dataset this interaction is part of.
Citation:

K. Sleziakova, M. R. Avei, A. E. Kaifer, V. Sindelar, SupraBank 2024, Binding of bambusuril with bipyridinium guests in water (dataset). https://doi.org/10.34804/supra.202109287

Link: https://doi.org/10.34804/supra.202109287
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

K. Sleziakova, M. R. Avei, A. E. Kaifer, V. Sindelar, Supramolecular Chemistry 2017, 30, 832–837.

Link: https://doi.org/10.1080/10610278.2017.1395026
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Methyl viologen (0.020202020202020204 M) and Dodeca(4-carboxybenzyl)bambus[6]uril (0 — 0.04040404040404041 M).