Interaction

curated

Interaction Scheme

Molecule

Zncl2
Zinc chloride

c = 0.0 — 425000.0 µM

Host

Cb7
CB7

c = 0.5 µM

Indicator

Bc
Berberine chloride

c = 3.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2512.0 ± 584.0 M-1
Kd =
logKa = 3.4 ± 0.1
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.41 ± 0.59 -4.64 ± 0.14
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 420.0 nm
𝛌em = 490.0 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:

L. Biczok, S. Zhang, L. M. Grimm, Z. Miskolczy, F. Biedermann, W. Nau, SupraBank 2025, Binding affinities of cucurbit[n]urils with cations (dataset). https://doi.org/10.34804/supra.2021092849

Link: https://doi.org/10.34804/supra.2021092849
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Zhang, L. Grimm, Z. Miskolczy, L. Biczók, F. Biedermann, W. M. Nau, Chem. Commun. 2019, 55, 14131–14134.

Link: https://doi.org/10.1039/C9CC07687E
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Zinc chloride (0.007961783439490446 M) and CB7 (0 — 0.01592356687898089 M).