Interaction Scheme

Molecule

2 aminoanthracenium
2-Aminoanthracenium cation

c = 2.0 µM

Host

Cb7
CB7

c = 7.0 µM

Indicator

Untitled
Na+

c = 20000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.30⋅106 ± 3.00⋅105 M-1
Kd =
logKa = 6.36 ± 0.06
T 20.0 °C 293 K
kin= 23000000.0 ± 2000000.0 M-1s-1
kout= 10.0 ± s-1
Energy kJ mol-1 kcal mol-1
ΔG = -35.7 ± 0.32 -8.53 ± 0.08
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 365.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
hydrochloric acid
pH 2.0
Please find here information about the dataset this interaction is part of.
Citation:

C. Bohne, S. S. Thomas, SupraBank 2022, Determination of the kinetics underlying the pKa shift for the 2-aminoanthracenium cation binding with cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.20210928145

Link: https://doi.org/10.34804/supra.20210928145
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. S. Thomas, C. Bohne, Faraday Discuss. 2015, 185, 381–398.

Link: https://doi.org/10.1039/c5fd00095e
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-Aminoanthracenium cation (8.695652173913043e-06 M) and CB7 (0 — 1.7391304347826085e-05 M).