Interaction

curated

Interaction Scheme

Molecule

Untitled
4,4'-Dipyridine

Host

Scx4 na
sCx4 sodium salt

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 44.0 ± 3.0 M-1
Kd =
logKa = 1.64 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -9.38 ± 0.17 -2.24 ± 0.04
ΔH = -8.3 ± 0.6 -1.98 ± 0.14
-TΔS = -1.1 ± 0.7 -0.26 ± 0.17
J mol-1 K-1 cal mol-1 K-1
ΔS = 3.7 ± 2.3 0.9 ± 0.6
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Detailed information about the solvation.
Solvent System Buffer System 100 mM phosphate pH-7.2
Solvents water
Additives Disodium hydrog... 66.6 mM
Sodium dihydrog... 33.4 mM
Source of Concentration estimated
Total concentration 100.0 mM
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, Y. Liu, H. Zhang, Y. Ma, E. Yang, SupraBank 2024, The Structure and Thermodynamics of Calix[n]arene Complexes with Dipyridines and Phenanthroline in Aqueous Solution Studied by Microcalorimetry and NMR Spectroscopy (dataset). https://doi.org/10.34804/supra.20210928126

Link: https://doi.org/10.34804/supra.20210928126
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. Liu, D.-S. Guo, H.-Y. Zhang, Y.-H. Ma, E.-C. Yang, J. Phys. Chem. B 2006, 110, 3428–3434.

Link: https://doi.org/10.1021/jp0545703
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 4,4'-Dipyridine (0.45454545454545453 M) and sCx4 sodium salt (0 — 0.9090909090909091 M).