Interaction

curated

Interaction Scheme

Molecule

N teg n' %283 5 dimethylbenzyl%29 4 4' bipyridinium
N-TEG-N'-(3,5-dimethylbenzyl)-4,4'-bipyridinium

c = 12.5 µM

Host

Cb7
CB7

c = 2.5 — 2000.0 µM

Cofactor

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1900.0 ± 200.0 M-1
Kd =
logKa = 3.28 ± 0.05
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -18.72 ± 0.26 -4.47 ± 0.06
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Absorbance
𝛌abs = 260.0 nm
Detailed information about the solvation.
Solvent System Buffer System acetate pH-4.5
Solvents water 100.0 %
Additives Perchloric acid
Sodium acetate
Source of Concentration
Total concentration 50.0 mM
pH 4.5
Please find here information about the dataset this interaction is part of.
Citation:

R. L. Halterman, J. Kalmár, S. B. Ellis, M. T. Ashby, SupraBank 2024, Kinetics of Formation of the Host–Guest Complex of a Viologen with Cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.2021092869

Link: https://doi.org/10.34804/supra.2021092869
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. Kalmár, S. B. Ellis, M. T. Ashby, R. L. Halterman, Org. Lett. 2012, 14, 3248–3251.

Link: https://doi.org/10.1021/ol300911a
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of N-TEG-N'-(3,5-dimethylbenzyl)-4,4'-bipyridinium (0.010526315789473684 M) and CB7 (0 — 0.021052631578947368 M).