Interaction Scheme

Molecule

4d
Phenylmalonic acid

Host

Anti aminenaphthotube
anti amine naphthotube

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.59⋅105 ± 2.00⋅104 M-1
Kd =
logKa = 5.41 ± 0.03
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.9 ± 0.19 -7.39 ± 0.05
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 acetate buffer deuterated
Solvents Deuterium Oxide
Source of Concentration
Total concentration 50.0 mM
pH 5.43
Please find here information about the dataset this interaction is part of.
Citation:

H. Yao, H. Ke, W. Jiang, X. Huang, X. Wang, M. Quan, SupraBank 2024, Biomimetic Recognition and Optical Sensing of Carboxylic Acids in Water by Using a Buried Salt Bridge and the Hydrophobic Effect (dataset). https://doi.org/10.34804/supra.20230720484

Link: https://doi.org/10.34804/supra.20230720484
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

X. Huang, X. Wang, M. Quan, H. Yao, H. Ke, W. Jiang, Angew. Chem. Int. Ed. 2020, 60, 1929–1935.

Link: https://doi.org/doi.org/10.1002/anie.202012467

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Phenylmalonic acid (7.722007722007723e-05 M) and anti amine naphthotube (0 — 0.00015444015444015445 M).