Interaction

curated

Interaction Scheme

Molecule

Tryptamine
Tryptamine

c = 50.0 µM

Host

Cb8
CB8

c = 400.0 µM

Cofactor

Methyl viologen
Methyl viologen

c = 400.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.30⋅105 ± 1.00⋅104 M-1
Kd =
logKa = 5.11 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -29.19 ± 0.19 -6.98 ± 0.05
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
𝛌ex = 280.0 nm
𝛌em = 350.0 nm
Detailed information about the solvation.
Solvent System Buffer System 5 mM phosphate pH-7.4
Solvents water
Source of Concentration real
Total concentration 5.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

A. R. Urbach, V. Ramalingam, SupraBank 2024, Cucurbit[8]uril Rotaxanes (dataset). https://doi.org/10.34804/supra.20210928104

Link: https://doi.org/10.34804/supra.20210928104
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

V. Ramalingam, A. R. Urbach, Org. Lett. 2011, 13, 4898–4901.

Link: https://doi.org/10.1021/ol201991e
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Tryptamine (0.00015384615384615385 M) and CB8 (0 — 0.0003076923076923077 M).