Interaction

curated

Interaction Scheme

Molecule

2 7 di%282 5 8 11 tetraoxatridecan 13 yl%29benzo lmn 3 8 phenanthroline 1 3 6 8%282h 7h%29 tetraone
2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lm...

c = 32.0 µM

Host

Bis glyco
Bisglycouril tetraoxypropylsulphite sodium

c = 0.0 — 1000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1620.0 ± 100.0 M-1
Kd =
logKa = 3.21 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -18.32 ± 0.15 -4.38 ± 0.04
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 2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone (0.012345679012345678 M) and Bisglycouril tetraoxypropylsulphite sodium (0 — 0.024691358024691357 M).