Interaction

curated

Interaction Scheme

Molecule

Coumarin 7
Coumarin 7

c = 5.0 µM

Host

Cb8
CB8

c = 0.0 — 90.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 6.50⋅109 M-1
Kd =
logKa = 9.81
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -56.01 -13.39
ΔH = 49760.0 11892.92
-TΔS = 189.0 45.17
J mol-1 K-1 cal mol-1 K-1
ΔS = -633.9 -151.5
Comment
Please check thermodynamic parameters.
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 3.0
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 7 (3.076923076923077e-09 M) and CB8 (0 — 6.153846153846154e-09 M).