Interaction

curated

Interaction Scheme

Molecule

Untitled
Dopamine

c = 0.0 — 208.33 µM

Host

Cb7
CB7

c = 100.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.66⋅105 M-1
Kd =
logKa = 5.67
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -32.35 -7.73
ΔH = -19.63 -4.69
-TΔS = -12.72 -3.04
J mol-1 K-1 cal mol-1 K-1
ΔS = 42.7 10.2
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: Nano ITC
VCell = 950.0 𝜇L
VSyringe = 250.0 𝜇L
cmolecule = 1000.0 𝜇M    syringe
cpartner = 100.0 𝜇M    cell
Ninjection = 25
Vinjection = 10.0 𝜇L
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, L. O. Herrmann, J. d. Barrio, J. J. Baumberg, O. A. Scherman, SupraBank 2024, Quantitative multiplexing with nano-self-assemblies in SERS (dataset). https://doi.org/10.34804/supra.2021092828

Link: https://doi.org/10.34804/supra.2021092828
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Kasera, L. O. Herrmann, J. del Barrio, J. J. Baumberg, O. A. Scherman, Sci Rep 2014, 4, DOI 10.1038/srep06785.

Link: https://doi.org/10.1038/srep06785
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Dopamine (4.2927666881305004e-05 M) and CB7 (0 — 8.585533376261001e-05 M).