Interaction

curated

Interaction Scheme

Molecule

Ferulic acid
Ferulic acid

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 7480.0 ± 1020.0 M-1
Kd =
logKa = 3.87 ± 0.06
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -22.11 ± 0.34 -5.28 ± 0.08
Comment
Phosphate buffer used to adjust pH. No further specification.
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 325.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
pH 8.4
Please find here information about the dataset this interaction is part of.
Citation:

J. Chao, K. Song, H. Wang, B. Zhang, Y. Zuo, Y. Wang, L. Zhang, SupraBank 2024, Host-guest inclusion system of ferulic acid with p-Sulfonatocalix[n]arenes: Preparation, characterization and antioxidant activity (dataset). https://doi.org/10.34804/supra.20210928395

Link: https://doi.org/10.34804/supra.20210928395
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. Chao, H. Wang, K. Song, Y. Wang, Y. Zuo, L. Zhang, B. Zhang, Journal of Molecular Structure 2017, 1130, 579–584.

Link: https://doi.org/10.1016/j.molstruc.2016.11.030
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Ferulic acid (0.00267379679144385 M) and sCx4 (0 — 0.0053475935828877 M).