Interaction

curated

Interaction Scheme

Molecule

1 1' bis%285 carboxypentyl%29 4 4' bipyridine 1 1' diium
Bis(5-carboxypentyl)-N,N'-bipyridiniium

c = 9.0 µM

Host

Cb7
CB7

c = 9.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.00⋅105 M-1
Kd =
logKa = 5.6
T 20.0 °C ≈ 293 K
kin= 7500.0 ± M-1s-1
kout= 0.01875 ± s-1
Energy kJ mol-1 kcal mol-1
ΔG = -31.44 -7.51
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 261.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives sodium chloride 50.0 mM
hydrochloric acid
pH 6.0
Please find here information about the dataset this interaction is part of.
Citation:

A. E. Kaifer, V. Sindelar, W. Li, S. Silvi, SupraBank 2024, Pronounced pH effects on the kinetics of cucurbit[7]uril-based pseudorotaxane formation and dissociation (dataset). https://doi.org/10.34804/supra.20210928123

Link: https://doi.org/10.34804/supra.20210928123
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. E. Kaifer, W. Li, S. Silvi, V. Sindelar, Chem. Commun. 2012, 48, 6693.

Link: https://doi.org/10.1039/C2CC32871B
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Bis(5-carboxypentyl)-N,N'-bipyridiniium (5.0e-05 M) and CB7 (0 — 0.0001 M).