Interaction

uncurated

Interaction Scheme

Molecule

Untitled
TMPyP4

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8.20⋅104 M-1
Kd =
logKa = 4.91
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -28.05 -6.7
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, H. Pal, A. C. Bhasikuttan, S. D. Choudhury, SupraBank 2024, Noncovalent Interaction of 5,10,15,20-Tetrakis(4-N-methylpyridyl)porphyrin with Cucurbit[7]uril: A Supramolecular Architecture (dataset). https://doi.org/10.34804/supra.20231018499

Link: https://doi.org/10.34804/supra.20231018499
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. Mohanty, A. C. Bhasikuttan, S. D. Choudhury, H. Pal, J. Phys. Chem. B 2008, 112, 10782–10785.

Link: https://doi.org/10.1021/jp806012t
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of TMPyP4 (0.00024390243902439024 M) and CB7 (0 — 0.0004878048780487805 M).