Interaction

curated

Interaction Scheme

Molecule

Citrate
Citrate

c = 0.0 — 12000.0 µM

Host

I cx4
i-Cx4-3C

c = 1000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 800.0 ± 200.0 M-1
Kd =
logKa = 2.9 ± 0.11
T 24.0 °C ≈ 297 K
Energy kJ mol-1 kcal mol-1
ΔG = -16.52 ± 0.63 -3.95 ± 0.15
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Deuterium Oxide
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, U. Pischel, A. L. Koner, J. Schatz, SupraBank 2024, Selective Sensing of Citrate by a Supramolecular 1,8-Naphthalimide/Calix[4]arene Assembly via Complexation-Modulated pKaShifts in a Ternary Complex (dataset). https://doi.org/10.34804/supra.20210928287

Link: https://doi.org/10.34804/supra.20210928287
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. L. Koner, J. Schatz, W. M. Nau, U. Pischel, J. Org. Chem. 2007, 72, 3889–3895.

Link: https://doi.org/10.1021/jo070268+

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Citrate (0.025 M) and i-Cx4-3C (0 — 0.05 M).