Welcome!

On this webpage you can determine binding/association constants from titration data using any equilibrium model. We do not use commonly known approximation methods such as the Benesi–Hildebrand or Scatchard plot, but we use non-linear optimization to fit the observed titration data to calculated titration data, which we calculate by numerically solving equilibrium concentrations from a set of binding constants and equilibrium reactions. We therefore don't have to algebraically solve for the equilibrium species concentrations (Hunter's method; recently implemented by Thordarson at Supramolecular.org), which limits the equilibrium models to 1:1, 1:2 and 2:1 stoichiometries. Our website offers functionality similar to HypNMR.

info_outline Software description info_outline Titration methods

This script was developed by Dr. R. Becker during his doctoral study at the University of Amsterdam (NL) and has been used in the following publications:

• S. Derossi et al. Dalton Trans. 2014 (43), 8363—8367 (10.1039/C3DT53471E)
• P. Li et al. Inorg Chem. 2014 (53), 10, 5373—5383 (10.1021/ic500777d)
• R. Becker et al. Sci. Adv. 2016 (2), 1, e1501014 (10.1126/sciadv.1501014)
• X. Wang et al. Chem. Eur. J. 2017 (23), 14769—14769 (10.1002/chem.201702113)
• S.S. Nurttila et al. Chem. Eur. J. 2018 (24), 1—13 (10.1002/chem.201803351)

Model {{s.name}}

Binding constant and cooperivity parameters

Coefficients

Optimize! Stop

Fitting results

Sum of squared residuals (SSR): {{SSR}} Averaged R²: {{compoundR2}} R² @ {{obs_names[0][$index]}}: {{R2[$index]}}

Raw data output

Copy this data into spreadsheet (delimiter = [tab])