Interaction

curated

Interaction Scheme

Molecule

Untitled
PFOS

c = 0.0 — 2.4 µM

Host

Gc5a
gCx5-6C

c = 0.4 µM

Indicator

Uranine
Uranine

c = 0.5 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.50⋅107 ± 1.00⋅107 M-1
Kd =
logKa = 7.54 ± 0.13
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -43.06 ± 0.73 -10.29 ± 0.17
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
Detailed information about the solvation.
Solvent System Buffer System 10 mM HEPES pH-7.4
Solvents water 100.0 %
Additives Hepes 10.0 mM
Source of Concentration
Total concentration 10.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

X. Hu, D. Guo, Y. Wang, Z. Zheng, W. Geng, H. Yu, Z. Li, Y. Wang, SupraBank 2024, Guanidinocalix[5]arene for sensitive fluorescence detection and magnetic removal of perfluorinated pollutants (dataset). https://doi.org/10.34804/supra.20210928190

Link: https://doi.org/10.34804/supra.20210928190
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Z. Zheng, H. Yu, W.-C. Geng, X.-Y. Hu, Y.-Y. Wang, Z. Li, Y. Wang, D.-S. Guo, Nat Commun 2019, 10, DOI 10.1038/s41467-019-13775-1.

Link: https://doi.org/10.1038/s41467-019-13775-1
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of PFOS (5.714285714285714e-07 M) and gCx5-6C (0 — 1.1428571428571428e-06 M).