An Equilibrium Partitioning Model for Predicting Response to Host−Guest Complexation in Electrospray Ionization Mass Spectrometry
- 21 March 2003
- journal article
- research article
- Published by American Chemical Society (ACS) in Analytical Chemistry
- Vol. 75 (8), 1828-1836
- https://doi.org/10.1021/ac026388t
Abstract
While electrospray ionization mass spectrometry (ESI-MS) has become a powerful technique for analyzing many types of host−guest complexation, questions remain as to just how accurately ion abundances generated by ESI reflect the true distribution of species at equilibrium in solution. To better understand this relationship, an equilibrium partitioning model was developed to explain the various interactions that dictate how much of a particular host−guest complex is transferred from solution into the gas phase in the ESI process. By evaluating the simultaneous equilibria of the complexation reaction and the partitioning of species between the surface and interior of the ESI droplets, one can estimate the ion abundances generated. The predictions of this new model were evaluated and experimentally confirmed through the analysis of the complexes of 18-crown-6 with alkali metal cations in an ESI quadrupole ion trap mass spectrometer, and it was determined that binding constants alone may not give accurate predictions about the observed ESI-MS response to different host−guest complexes.Keywords
This publication has 23 references indexed in Scilit:
- Investigation of Quadruplex Oligonucleotide−Drug Interactions by Electrospray Ionization Mass SpectrometryAnalytical Chemistry, 2002
- Evaluation of complexation of metal-mediated DNA-binding drugs to oligonucleotides via electrospray ionization mass spectrometryNucleic Acids Research, 2001
- Evaluation of Binding Selectivities of Caged Crown Ligands toward Heavy Metals by Electrospray Ionization/Quadrupole Ion Trap Mass SpectrometryAnalytical Chemistry, 2000
- Determination of alkali metal ion binding selectivities of calixarenes by matrix-assisted laser desorption ionization and electrospray ionization in a quadrupole ion trapInternational Journal of Mass Spectrometry, 1999
- Interaction between antitumor drugs and a double-stranded oligonucleotide studied by electrospray ionization mass spectrometryJournal of Mass Spectrometry, 1999
- Investigation of Alkali Metal Cation Selectivities of Lariat Ethers by Electrospray Ionization Mass SpectrometryAnalytical Chemistry, 1999
- Determination of Binding Selectivities by Electrospray lonization Mass SpectrometryStructural Chemistry, 1999
- Determination of binding selectivities in host-guest complexation by electrospray/quadrupole ion trap mass spectrometryJournal of the American Society for Mass Spectrometry, 1998
- Evaluation of binding selectivities of bis-crowned clefts by electrospray ionization/quadrupole ion trap mass spectrometryJournal of Mass Spectrometry, 1998
- An Easy and Rapid Method for Determination of Stability Constants by Electrospray Ionization Mass SpectrometryRapid Communications in Mass Spectrometry, 1997