Interaction

uncurated

Interaction Scheme

Molecule

Dimpcp
DiMPCP

Host

Cb8
CB8

Indicator

Methyl pyridinium paracyclophane iodide
MPCP

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 6.73⋅1013 ± 8.80⋅1012 M-1
Kd =
logKa = 13.83 ± 0.06
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -78.93 ± 0.33 -18.86 ± 0.08
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus H-1
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:

L. Grimm, SupraBank 2024, Fluorescent Paracyclophanes: Unveiling Ultra-strong Binding with Cucurbit[8]uril in Aqueous Environments (dataset). https://doi.org/10.34804/supra.20240313527

Link: https://doi.org/10.34804/supra.20240313527
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

Link: https://suprabank.org/datasets/527

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of DiMPCP (2.9717682020802375e-13 M) and CB8 (0 — 5.943536404160475e-13 M).