Interaction

curated

Interaction Scheme

Molecule

Ferulic acid
Ferulic acid

Host

Scx6
sCx6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.11⋅104 ± 837.0 M-1
Kd =
logKa = 4.05 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.09 ± 0.19 -5.52 ± 0.05
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 (0.0018018018018018018 M) and sCx6 (0 — 0.0036036036036036037 M).