Interaction

curated

Interaction Scheme

Molecule

Baicalin
Baicalin

Host

Scx8
sCx8

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2960.0 M-1
Kd =
logKa = 3.47
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.81 -4.73
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents Deuterium Oxide 90.0 %
dimethyl sulfoxide 10.0 %
pH 3.05
Please find here information about the dataset this interaction is part of.
Citation:

J. Chao, X. Wang, M. Xu, Y. Zuo, SupraBank 2024, Characterization and enhanced antioxidant activity of the inclusion complexes of baicalin with p-sulfonatocalix[n]arenes (dataset). https://doi.org/10.34804/supra.20210928281

Link: https://doi.org/10.34804/supra.20210928281
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. Chao, X. Wang, M. Xu, Y. Zuo, J Incl Phenom Macrocycl Chem 2019, 93, 361–370.

Link: https://doi.org/10.1007/s10847-019-00887-w
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Baicalin (0.006756756756756757 M) and sCx8 (0 — 0.013513513513513514 M).