Interaction

curated

Interaction Scheme

Molecule

Bis%28dimethylpyridinium%29diarylethene %28closed form%29
bis(dimethylpyridinium)diarylethene (closed form)

c = 18.0 µM

Host

Cb8
CB8

c = 18.0 µM

Indicator

Methyl viologen
Methyl viologen

c = 0.0 — 27000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 6.20⋅109 ± 1.24⋅109 M-1
Kd =
logKa = 9.79 ± 0.09
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -55.9 ± 0.5 -13.36 ± 0.12
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Absorbance
𝛌abs = 640.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

P. Ferreira, B. Ventura, A. Barbieri, J. P. Da Silva, C. A. T. Laia, A. J. Parola, N. Basílio, SupraBank 2024, A Visible–Near‐Infrared Light‐Responsive Host–Guest Pair with Nanomolar Affinity in Water (dataset). https://doi.org/10.34804/supra.20210928391

Link: https://doi.org/10.34804/supra.20210928391
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

P. Ferreira, B. Ventura, A. Barbieri, J. P. Da Silva, C. A. T. Laia, A. J. Parola, N. Basílio, Chem. Eur. J. 2019, 25, 3477–3482.

Link: https://doi.org/10.1002/chem.201806105
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of bis(dimethylpyridinium)diarylethene (closed form) (3.225806451612903e-09 M) and CB8 (0 — 6.451612903225806e-09 M).