Interaction Scheme

Molecule

Putrescine %28fully protonated form%29
putrescine (fully protonated form)

c = 0.0 — 67000.0 µM

Host

Bis glyco
Bisglycouril tetraoxypropylsulphite sodium

c = 20000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 70.0 ± 8.0 M-1
Kd =
logKa = 1.85 ± 0.05
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -10.53 ± 0.28 -2.52 ± 0.07
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus H-1
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents Deuterium Oxide
Additives Sodium dihydrog... 20.0 mM
Total concentration 20.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

V. Sindelar, N. She, D. Moncelet, L. Gilberg, X. Lu, V. Briken, L. Isaacs, SupraBank 2024, Glycoluril‐Derived Molecular Clips are Potent and Selective Receptors for Cationic Dyes in Water (dataset). https://doi.org/10.34804/supra.2021092836

Link: https://doi.org/10.34804/supra.2021092836
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. She, D. Moncelet, L. Gilberg, X. Lu, V. Sindelar, V. Briken, L. Isaacs, Chem. Eur. J. 2016, 22, 15270–15279.

Link: https://doi.org/10.1002/chem.201601796
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of putrescine (fully protonated form) (0.2857142857142857 M) and Bisglycouril tetraoxypropylsulphite sodium (0 — 0.5714285714285714 M).