Interaction

curated

Interaction Scheme

Molecule

Untitled
Dopamine

Host

Cb8
CB8

Cofactor

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

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.00⋅106 ± 9000.0 M-1
Kd =
logKa = 6.0 ± 0.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -34.26 ± 0.02 -8.19 ± 0.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Absorbance
𝛌abs = 537.0 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:

S. Kasera, O. A. Scherman, Z. Walsh, J. del Barrio, SupraBank 2024, A selective supramolecular photochemical sensor for dopamine (dataset). https://doi.org/10.34804/supra.20210928239

Link: https://doi.org/10.34804/supra.20210928239
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Kasera, Z. Walsh, J. del Barrio, O. A. Scherman, Supramolecular Chemistry 2014, 26, 280–285.

Link: https://doi.org/10.1080/10610278.2013.872781
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Dopamine (1.9920318725099602e-05 M) and CB8 (0 — 3.9840637450199205e-05 M).