Interaction

uncurated

Interaction Scheme

Molecule

Dimpcp
DiMPCP

Host

Cb8
CB8

Indicator

Methyl pyridinium paracyclophane iodide
MPCP

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.81⋅1014 ± 3.70⋅1013 M-1
Kd =
logKa = 14.45 ± 0.06
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -82.47 ± 0.33 -19.71 ± 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 (7.117437722419928e-14 M) and CB8 (0 — 1.4234875444839856e-13 M).