Interaction Scheme

Molecule

Trans azobenzene teg
trans-azobenzene-TEG

c = 0.0 — 300.0 µM

Host

Cb8
CB8

c = 100.0 µM

Cofactor

Methyl viologen
Methyl viologen

c = 100.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.44⋅104 ± 2460.0 M-1
Kd =
logKa = 4.16 ± 0.07
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.74 ± 0.43 -5.67 ± 0.1
ΔH = -19.6 ± 4.7 -4.68 ± 1.12
-TΔS = -5.6 -1.34
J mol-1 K-1 cal mol-1 K-1
ΔS = 18.8 4.5
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:

O. A. Scherman, F. Biedermann, D. Jiao, F. Tian, SupraBank 2024, Orthogonal switching of a single supramolecular complex (dataset). https://doi.org/10.34804/supra.20220629448

Link: https://doi.org/10.34804/supra.20220629448
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Tian, D. Jiao, F. Biedermann, O. A. Scherman, Nat Commun 2012, 3, DOI 10.1038/ncomms2198.

Link: https://doi.org/10.1038/ncomms2198
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of trans-azobenzene-TEG (0.001388888888888889 M) and CB8 (0 — 0.002777777777777778 M).