Interaction

curated

Interaction Scheme

Molecule

Untitled
Na+

c = 40000.0 µM

Host

Scx4
sCx4

c = 0.0 — 40000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 100.0 M-1
Kd =
logKa = 2.0 ± NaN
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -11.42 ± NaN -2.73 ± NaN
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 23Na
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:

L. García-Río, M. Martín-Pastor, N. Basilio, SupraBank 2024, Counterion Binding in Solutions of p-Sulfonatocalix[4]arene (dataset). https://doi.org/10.34804/supra.20210928347

Link: https://doi.org/10.34804/supra.20210928347
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Basilio, L. García-Río, M. Martín-Pastor, J. Phys. Chem. B 2010, 114, 7201–7206.

Link: https://doi.org/10.1021/jp101474a
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Na+ (0.2 M) and sCx4 (0 — 0.4 M).