Interaction Scheme


Pyridinium 1 1  %282 carboxy 1 4 phenylene%29bis%28methylene%29 bis
Pyridinium, 1,​1'-​[(2-​carboxy-​1,​4-​phenylen...



Binding Properties

𝜈 Molecule 1 : 1 Host
Ka > 10.0 M-1
Kd >
logKa > 1.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG < -5.71 -1.36
Binding not determined.
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Δδbound = 0.3 ppm
Detailed information about the solvation.
Solvent System Buffer System deuterated phosphate pD-2.58
Solvents Deuterium Oxide
Additives phosphate
Source of Concentration estimated
pH 2.18
Please find here information about the dataset this interaction is part of.

V. Sindelar, V. Kolman, P. Kulhanek, SupraBank 2024, Inclusion of Carboxyl Function Inside of Cucurbiturils and its Use in Molecular Switches (dataset).

Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.

V. Kolman, P. Kulhanek, V. Sindelar, Chem. Asian J. 2010, 5, 2386–2392.

Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Pyridinium, 1,​1'-​[(2-​carboxy-​1,​4-​phenylene)​bis(methylene)​]​bis-​ (2.0 M) and CB8 (0 — 4.0 M).