Interaction

curated

Interaction Scheme

Molecule

Untitled
Neopentane

c = 0.0 — 460.0 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 < 50.0 ± 10.0 M-1
Kd <
logKa < 1.7 ± 0.09
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG > -9.7 ± 0.5 -2.32 ± 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 Buffer System 50 mM acetate pH-5.5
Solvents water 100.0 %
Additives Sodium acetate 50.0 mM
Source of Concentration
Total concentration 50.0 mM
pH 5.5
Solubility 0.46 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 Neopentane (0.4 M) and CB6 (0 — 0.8 M).