Interaction

curated

Interaction Scheme

Molecule

Coumarin 7
Coumarin 7

c = 0.6 µM

Host

Cb7
CB7

c = 0.0 — 215.0 µM

Binding Properties

𝜈 Molecule 1 : 2 Host
Ka = 2.34⋅108 M-2
Kd =
logKa = 8.37
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -47.77 -11.42
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 455.0 nm
𝛌em = 510.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water 100.0 %
Additives hydrochloric acid
Perchloric acid
pH 3.0
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, N. Barooah, A. C. Bhasikuttan, M. Sundararajan, SupraBank 2024, Synergistic Effect of Intramolecular Charge Transfer toward Supramolecular pKa Shift in Cucurbit[7]uril Encapsulated Coumarin Dyes (dataset). https://doi.org/10.34804/supra.20210928179

Link: https://doi.org/10.34804/supra.20210928179
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Barooah, M. Sundararajan, J. Mohanty, A. C. Bhasikuttan, J. Phys. Chem. B 2014, 118, 7136–7146.

Link: https://doi.org/10.1021/jp501824p
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Coumarin 7 (8.547008547008547e-08 M) and CB7 (0 — 1.7094017094017095e-07 M).