Interaction

curated

Interaction Scheme

Molecule

Bc
Berberine chloride

c = 1.8 µM

Host

Cb8
CB8

c = 120.0 µM

Indicator

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.00⋅107 ± 2.00⋅106 M-1
Kd =
logKa = 7.0 ± 0.09
T 21.0 °C ≈ 294 K
Energy kJ mol-1 kcal mol-1
ΔG = -39.42 ± 0.5 -9.42 ± 0.12
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 340.0 nm
𝛌em = 500.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

Z. Miskolczy, L. Biczok, SupraBank 2024, Sequential inclusion of two berberine cations in cucurbit[8]uril cavity: kinetic and thermodynamic studies (dataset). https://doi.org/10.34804/supra.202109285

Link: https://doi.org/10.34804/supra.202109285
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Z. Miskolczy, L. Biczók, Phys. Chem. Chem. Phys. 2014, 16, 20147–20156.

Link: https://doi.org/10.1039/C4CP02919D
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Berberine chloride (2.0e-06 M) and CB8 (0 — 4.0e-06 M).