Interaction

curated

Interaction Scheme

Molecule

Untitled
sodium 3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydr...

c = 10.0 µM

Host

Bis glyco
Bisglycouril tetraoxypropylsulphite sodium

c = 0.0 — 430.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 6200.0 ± 100.0 M-1
Kd =
logKa = 3.79 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -21.65 ± 0.04 -5.17 ± 0.01
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 383.0 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 sodium 3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dipropionate (0.0032258064516129032 M) and Bisglycouril tetraoxypropylsulphite sodium (0 — 0.0064516129032258064 M).