Interaction Scheme

Molecule

2 6 dihydroxynaphthalene
2,6-Dihydroxynaphthalene

Host

Cb8
CB8

Cofactor

Untitled
1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-...

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.00⋅105 ± 3.00⋅104 M-1
Kd =
logKa = 5.48 ± 0.04
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -31.26 ± 0.25 -7.47 ± 0.06
ΔH = -38.9 ± 0.4 -9.3 ± 0.1
-TΔS = 7.6 ± 0.8 1.82 ± 0.19
J mol-1 K-1 cal mol-1 K-1
ΔS = -25.5 ± 2.7 -6.1 ± 0.6
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Cofactor: syringe
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

O. A. Scherman, F. Biedermann, SupraBank 2024, Cucurbit[8]uril Mediated Donor–Acceptor Ternary Complexes: A Model System for Studying Charge-Transfer Interactions (dataset). https://doi.org/10.34804/supra.2021092867

Link: https://doi.org/10.34804/supra.2021092867
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Biedermann, O. A. Scherman, J. Phys. Chem. B 2012, 116, 2842–2849.

Link: https://doi.org/10.1021/jp2110067
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,6-Dihydroxynaphthalene (6.666666666666667e-05 M) and CB8 (0 — 0.00013333333333333334 M).