Interaction

curated

Interaction Scheme

Molecule

Untitled
Coumarin 6

c = 1.3 µM

Host

Cb8
CB8

c = 0.0 — 9.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8.30⋅1011 M-1
Kd =
logKa = 11.92
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -68.03 -16.26
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 503.0 nm
𝛌em = 550.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 0.0
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, N. Barooah, A. C. Bhasikuttan, SupraBank 2024, Cucurbit[8]uril-templated H and J dimers of bichromophoric coumarin dyes: origin of contrasting emission (dataset). https://doi.org/10.34804/supra.20210928175

Link: https://doi.org/10.34804/supra.20210928175
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Barooah, J. Mohanty, A. C. Bhasikuttan, Chem. Commun. 2015, 51, 13225–13228.

Link: https://doi.org/10.1039/C5CC05033B
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Coumarin 6 (2.4096385542168676e-11 M) and CB8 (0 — 4.819277108433735e-11 M).