Interaction Scheme

Molecule

Untitled
SEC-BUTYLAMINE

c = 0.0 — 27010.0 µM

Host

Anti amide naphthotube
anti-Amide Naphthotube

c = 200.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 130.0 ± 14.0 M-1
Kd =
logKa = 2.11 ± 0.05
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -12.07 ± 0.27 -2.88 ± 0.06
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus H-1
Detailed information about the solvation.
Solvent System Buffer System 50mM PB buffer
Solvents Deuterium Oxide
Source of Concentration
Total concentration 50.0 mM
pH 12.0
Please find here information about the dataset this interaction is part of.
Citation:

W. Jiang, Z. Chen, M. Quan, L. Wang, T. Yang, SupraBank 2024, A Green and Wide‐Scope Approach for Chiroptical Sensing of Organic Molecules through Biomimetic Recognition in Water (dataset). https://doi.org/10.34804/supra.20240523557

Link: https://doi.org/10.34804/supra.20240523557
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

L. L. Wang, M. Quan, T. L. Yang, Z. Chen, W. Jiang, Angew Chem Int Ed 2020, 59, 23817–23824.

Link: https://doi.org/10.1002/anie.202011566
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of SEC-BUTYLAMINE (0.15384615384615385 M) and anti-Amide Naphthotube (0 — 0.3076923076923077 M).