Interaction Scheme

Molecule

Untitled1
DiCh

c = 1000.0 µM

Host

S scx4
s-sCx4

c = 0.0 — 4000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.20⋅104 ± 2000.0 M-1
Kd =
logKa = 4.08 ± 0.07
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.28 ± 0.42 -5.56 ± 0.1
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
Δδbound = 1.15 ppm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Deuterium Oxide
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, Y. Liu, T. Zhang, Y. Wang, SupraBank 2024, Enzyme-responsive supramolecular polymers by complexation of bis(p-sulfonatocalixarenes) with suberyl dicholine-based pseudorotaxane (dataset). https://doi.org/10.34804/supra.20210928244

Link: https://doi.org/10.34804/supra.20210928244
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

D.-S. Guo, T.-X. Zhang, Y.-X. Wang, Y. Liu, Chem. Commun. 2013, 49, 6779.

Link: https://doi.org/10.1039/C3CC41918E
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of DiCh (0.0016666666666666668 M) and s-sCx4 (0 — 0.0033333333333333335 M).