Interaction

curated

Interaction Scheme

Molecule

Untitled
Hyperoside

Host

Acyclic sodium 4 4' %28naphthalene 1 4 diyl%29bis%28butane 1 sulfonate%29 cucurbituril
Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(b...

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 6.97⋅104 ± 8300.0 M-1
Kd =
logKa = 4.84 ± 0.05
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -27.65 ± 0.3 -6.61 ± 0.07
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 301.0 nm
𝛌em = 348.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

J. Chen, Z. Sui, T. Yin, J. Zou, B. Yang, X. Liao, SupraBank 2024, Encapsulation of hyperoside with acyclic cucurbiturils: Supramolecular binding behavior, water solubility and in vitro antioxidant activity (dataset). https://doi.org/10.34804/supra.20240326534

Link: https://doi.org/10.34804/supra.20240326534
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. Chen, Z. Sui, T. Yin, J. Zou, B. Yang, X. Liao, Journal of Molecular Structure 2023, 1294, 136342.

Link: https://doi.org/10.1016/j.molstruc.2023.136342
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Hyperoside (0.00028694404591104734 M) and Acyclic sodium 4,4'-(naphthalene-1,4-diyl)bis(butane-1-sulfonate) Cucurbituril (0 — 0.0005738880918220947 M).