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 — 100.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.14⋅105 M-1
Kd =
logKa = 5.06
T 25.0 °C 298 K
kin= 6010000.0 ± 30000.0 M-1s-1
kout= 52.7003446129024 ± 0.4 s-1
Energy kJ mol-1 kcal mol-1
ΔG = -28.87 -6.9
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct 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 2022, 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 (0.00017537552283827747 M) and CB7 (0 — 0.00035075104567655494 M).