Interaction

curated

Interaction Scheme

Molecule

Untitled
7-(diethylamino)-N-(1,3-dihydroxy-2-(hydroxymet...

c = 2.0 µM

Host

Cb7
CB7

c = 0.0 µM

Indicator

Hg2
Hg2+

c = 0.0 — 500.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.60⋅107 ± 6.00⋅106 M-1
Kd =
logKa = 7.2 ± 0.17
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -41.12 ± 0.98 -9.83 ± 0.23
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 430.0 nm
𝛌em = 480.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 2.0
Please find here information about the dataset this interaction is part of.
Citation:

D. Fuentealba, M. E. Aliaga, L. García-Río, M. Pessêgo, R. Montecinos, I. Uribe, M. Martín-Pastor, O. García-Beltrán, SupraBank 2024, Host–guest interaction of coumarin-derivative dyes and cucurbit[7]uril: leading to the formation of supramolecular ternary complexes with mercuric ions (dataset). https://doi.org/10.34804/supra.20210928288

Link: https://doi.org/10.34804/supra.20210928288
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. E. Aliaga, L. García-Río, M. Pessêgo, R. Montecinos, D. Fuentealba, I. Uribe, M. Martín-Pastor, O. García-Beltrán, New J. Chem. 2015, 39, 3084–3092.

Link: https://doi.org/10.1039/C5NJ00162E
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 7-(diethylamino)-N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-2-oxo-2H-chromene-3-carboxamide (1.25e-06 M) and CB7 (0 — 2.5e-06 M).