Interaction Scheme

Molecule

Untitled
1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1...

c = 90.0 µM

Host

Cb7
CB7

c = 0.0 — 232.1 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 6.50⋅105 M-1
Kd =
logKa = 5.81
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -33.18 -7.93
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 261.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.3
Please find here information about the dataset this interaction is part of.
Citation:

I. Neira, M. D. Garcia, C. Peinador, A. Kaifer, SupraBank 2022, Terminal Carboxylate Effects on the Thermodynamics and Kinetics of Cucurbit[7]uril Binding to Guests Containing a Central Bis(Pyridinium)-Xylylene Site (dataset). https://doi.org/10.34804/supra.20210928220

Link: https://doi.org/10.34804/supra.20210928220
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

I. Neira, M. D. García, C. Peinador, A. E. Kaifer, J. Org. Chem. 2019, 84, 2325–2329.

Link: https://doi.org/10.1021/acs.joc.8b02993
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,1'-(1,4-phenylenebis(methylene))bis(pyridin-1-ium-4-carboxylate) (3.076923076923077e-05 M) and CB7 (0 — 6.153846153846154e-05 M).