Interaction

curated

Interaction Scheme

Molecule

Untitled
Isopentane

c = 0.0 — 670.0 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 = 1.50⋅104 ± 5000.0 M-1
Kd =
logKa = 4.18 ± 0.15
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.84 ± 0.86 -5.7 ± 0.21
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 0.67 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
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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
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Isopentane (0.0013333333333333333 M) and CB6 (0 — 0.0026666666666666666 M).