Interaction

curated

Interaction Scheme

Molecule

Mdpt
2,7-Dimethyldiazaphenanthrenium

c = 10.0 µM

Host

Cb8
CB8

c = 0.0 — 100.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.00⋅105 ± 3.00⋅104 M-1
Kd =
logKa = 5.0 ± 0.13
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -28.54 ± 0.77 -6.82 ± 0.18
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 248.0 nm
Detailed information about the solvation.
Solvent System Buffer System 100 mM phosphate buffer pH-7.0
Solvents water
Source of Concentration estimated
Total concentration 100.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

A. E. Kaifer, Y. Ling, W. Wang, SupraBank 2024, A new cucurbit[8]uril-based fluorescent receptor for indole derivatives (dataset). https://doi.org/10.34804/supra.202109289

Link: https://doi.org/10.34804/supra.202109289
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. Ling, W. Wang, A. E. Kaifer, Chem. Commun. 2007, 610–612.

Link: https://doi.org/10.1039/b611559d
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,7-Dimethyldiazaphenanthrenium (0.0002 M) and CB8 (0 — 0.0004 M).