Interaction Scheme

Molecule

2 7 bis%282 %28trimethyl azaneyl%29ethyl%29pyrene 1 3 6 8%282h 7h%29 tetraone
2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6...

c = 5.0 µM

Host

Cb7
CB7

c = 0.0 — 15.0 µM

Cofactor

2 7 bis%282 %28trimethyl azaneyl%29ethyl%29pyrene 1 3 6 8%282h 7h%29 tetraone
2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6...

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.06⋅105 M-1
Kd =
logKa = 5.03
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -28.68 -6.85
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
𝛌ex = 391.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

X. Zhao, F. Liu, Z. Zhao, H. Karoui, D. Bardelang, O. Ouari, S. Liu, SupraBank 2024, Effects of cucurbit[n]uril (n = 7, 8, 10) hosts on the formation and stabilization of a naphthalenediimide (NDI) radical anion (dataset). https://doi.org/10.34804/supra.20210928149

Link: https://doi.org/10.34804/supra.20210928149
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

X. Zhao, F. Liu, Z. Zhao, H. Karoui, D. Bardelang, O. Ouari, S. Liu, Org. Biomol. Chem. 2018, 16, 3809–3815.

Link: https://doi.org/10.1039/C8OB00664D
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone (0.00018867924528301886 M) and CB7 (0 — 0.0003773584905660377 M).