Interaction Scheme

Molecule

Tryptamine
Tryptamine

c = 0.0 — 1500.0 µM

Host

Rotaxane
Rotaxane

c = 2.5 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4898.0 M-1
Kd =
logKa = 3.69
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -21.06 -5.03
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 393.0 nm
𝛌em = 450.0 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:

J. Krämer, SupraBank 2024, A supramolecular CB8-β-CD-rotaxane chemosensor for the optical detection of tryptophan in human serum and urine (dataset). https://doi.org/10.34804/supra.20220128415

Link: https://doi.org/10.34804/supra.20220128415
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Please find here information about the scholarly article describing the results derived from that data.

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Tryptamine (0.004083299305839118 M) and Rotaxane (0 — 0.008166598611678236 M).