Interaction

curated

Interaction Scheme

Molecule

Ethane
ethane

c = 0.0 — 1520.0 µM

Host

Cb6
CB6

c = 4.0 µM

Indicator

C
5-(aminobutyl)amino)naphthalene-1-sulfonate

c = 4.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.40⋅104 ± 4800.0 M-1
Kd =
logKa = 4.38 ± 0.09
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.0 ± 0.5 -5.98 ± 0.12
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 283.0 nm
𝛌em = 334.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives hydrochloric acid 1.0 mM
Total concentration 1.0 mM
pH 3.0
Solubility 1.52 mM
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, M. Florea, SupraBank 2024, Strong Binding of Hydrocarbons to Cucurbituril Probed by Fluorescent Dye Displacement: A Supramolecular Gas-Sensing Ensemble (dataset). https://doi.org/10.34804/supra.20210928369

Link: https://doi.org/10.34804/supra.20210928369
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Florea, W. M. Nau, Angew. Chem. Int. Ed. 2011, 50, 9338–9342.

Link: https://doi.org/10.1002/anie.201104119
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of ethane (0.0008333333333333334 M) and CB6 (0 — 0.0016666666666666668 M).