Interaction Scheme

Molecule

Pid
DMAE-PDI dication

c = 20.0 µM

Host

Bis glyco
Bisglycouril tetraoxypropylsulphite sodium

c = 0.0 — 625.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.81⋅106 ± 2.00⋅105 M-1
Kd =
logKa = 6.26 ± 0.05
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -35.72 ± 0.28 -8.54 ± 0.07
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 470.0 nm
Detailed information about the solvation.
Solvent System Buffer System 20 mM phosphate pH-7.4
Solvents water
Additives Sodium dihydrog... 20.0 mM
Source of Concentration
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 DMAE-PDI dication (1.1049723756906077e-05 M) and Bisglycouril tetraoxypropylsulphite sodium (0 — 2.2099447513812153e-05 M).