Interaction

curated

Interaction Scheme

Molecule

Untitled
2-Aminoanthracene

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8.00⋅105 ± 2.00⋅105 M-1
Kd =
logKa = 5.9 ± 0.11
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -33.7 ± 0.63 -8.05 ± 0.15
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 342.0 nm
𝛌em = 412.0 nm
Ibound⁄Ifree = 3.68
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 1.5
Please find here information about the dataset this interaction is part of.
Citation:

D. H. Macartney, R. Wang, L. Yuan, SupraBank 2024, A green to blue fluorescence switch of protonated 2-aminoanthracene upon inclusion in cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.20210928330

Link: https://doi.org/10.34804/supra.20210928330
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

R. Wang, L. Yuan, D. H. Macartney, Chem. Commun. 2005, 5867.

Link: https://doi.org/10.1039/B513246K
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-Aminoanthracene (2.5e-05 M) and CB7 (0 — 5.0e-05 M).