Interaction

curated

Interaction Scheme

Molecule

Methyl viologen
Methyl viologen

Host

Cb8
CB8

c = 100.0 µM

Cofactor

Pdi bis%28et me2n et oh%29
PDI-Bis(Et-Me2N-Et-OH)

c = 100.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.60⋅105 ± 2.00⋅104 M-1
Kd =
logKa = 5.2 ± 0.05
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -29.71 ± 0.31 -7.1 ± 0.07
ΔH = -13.8 ± 0.4 -3.3 ± 0.1
-TΔS = -15.9 ± 1.3 -3.8 ± 0.31
J mol-1 K-1 cal mol-1 K-1
ΔS = 53.3 ± 4.4 12.7 ± 1.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: cell
Cofactor: cell
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:

W. M. Nau, O. A. Scherman, F. Biedermann, E. Elmalem, I. Ghosh, SupraBank 2024, Strongly Fluorescent, Switchable Perylene Bis(diimide) Host-Guest Complexes with Cucurbit[8]uril In Water (dataset). https://doi.org/10.34804/supra.2021092847

Link: https://doi.org/10.34804/supra.2021092847
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Biedermann, E. Elmalem, I. Ghosh, W. M. Nau, O. A. Scherman, Angew. Chem. Int. Ed. 2012, 51, 7739–7743.

Link: https://doi.org/10.1002/anie.201202385
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Methyl viologen (0.000125 M) and CB8 (0 — 0.00025 M).