Interaction Scheme

Molecule

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

Host

Cb7
CB7

Cofactor

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4800.0 ± 200.0 M-1
Kd =
logKa = 3.68 ± 0.02
T 23.0 °C 296 K
Energy kJ mol-1 kcal mol-1
ΔG = -20.87 ± 0.1 -4.99 ± 0.02
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Absorbance
𝛌abs = 262.0 nm
Detailed information about the solvation.
Solvent System Buffer System 0.1 M NaCl pH-2.0
Solvents water
Source of Concentration estimated
pH 2.0
Please find here information about the dataset this interaction is part of.
Citation:

D. Sobransingh, V. Sindelar, S. Silvi, S. Parker, A. Kaifer, SupraBank 2024, Proton and Electron Transfer Control of the Position of Cucurbit[n]uril Wheels in Pseudorotaxanes (dataset). https://doi.org/10.34804/supra.20231115504

Link: https://doi.org/10.34804/supra.20231115504
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

V. Sindelar, S. Silvi, S. E. Parker, D. Sobransingh, A. E. Kaifer, Adv Funct Materials 2007, 17, 694–701.

Link: https://doi.org/10.1002/adfm.200600969
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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 (0.004166666666666667 M) and CB7 (0 — 0.008333333333333333 M).