Determining association constants from titration experiments in supramolecular chemistry
Top Cited Papers
- 1 December 2010
- journal article
- review article
- Published by Royal Society of Chemistry (RSC) in Chemical Society Reviews
- Vol. 40 (3), 1305-1323
- https://doi.org/10.1039/c0cs00062k
Abstract
The most common approach for quantifying interactions in supramolecular chemistry is a titration of the guest to solution of the host, noting the changes in some physical property through NMR, UV-Vis, fluorescence or other techniques. Despite the apparent simplicity of this approach, there are several issues that need to be carefully addressed to ensure that the final results are reliable. This includes the use of non-linear rather than linear regression methods, careful choice of stoichiometric binding model, the choice of method (e.g., NMRvs.UV-Vis) and concentration of host, the application of advanced data analysis methods such as global analysis and finally the estimation of uncertainties and confidence intervals for the results obtained. This tutorial review will give a systematic overview of all these issues—highlighting some of the key messages herein with simulated data analysis examples.Keywords
This publication has 26 references indexed in Scilit:
- Squaring cooperative binding circlesProceedings of the National Academy of Sciences, 2009
- Pyromellitamide Aggregates and Their Response to Anion StimuliJournal of the American Chemical Society, 2007
- Chemistry of synthetic receptors and functional group arrays. 18. Approaches to quantitative supramolecular chemistry. Hydrogen-bond-based molecular recognition phenomena and sigmoidal behavior in multicomponent mixturesJournal of the American Chemical Society, 1992
- The Design of Molecular Hosts, Guests, and Their Complexes (Nobel Lecture)Angewandte Chemie-International Edition, 1988
- Supramolecular Chemistry—Scope and Perspectives Molecules, Supermolecules, and Molecular Devices (Nobel Lecture)Angewandte Chemie-International Edition, 1988
- Cyclic polyethers and their complexes with metal saltsJournal of the American Chemical Society, 1967
- Graphical Methods in Enzyme ChemistryNature, 1957
- A Spectrophotometric Investigation of the Interaction of Iodine with Aromatic HydrocarbonsJournal of the American Chemical Society, 1949
- THE ATTRACTIONS OF PROTEINS FOR SMALL MOLECULES AND IONSAnnals of the New York Academy of Sciences, 1949
- The Determination of Enzyme Dissociation ConstantsJournal of the American Chemical Society, 1934