Related Experiment Video
Updated: Feb 26, 2026

In Situ SIMS and IR Spectroscopy of Well-defined Surfaces Prepared by Soft Landing of Mass-selected Ions
Published on: June 16, 2014
Advances in Modeling the Stability of Noncovalent Complexes in Charged Droplets with Applications in Electrospray
Styliani Consta1,2, Mahmoud Sharawy1, Myong In Oh1
1Department of Chemistry, The University of Western Ontario , London, Ontario N6A 5B7, Canada.
Abstract:
Electrospray ionization mass spectrometry is used extensively to measure the equilibrium constant of noncovalent complexes. In this Perspective, we attempt to present an accessible introduction to computational methodologies that can be applied to determine the stability of weak noncovalent complexes in their journey from bulk solution into the gaseous state. We demonstrate the usage of the methods on two typical examples of noncovalent complexes drawn from a broad class of nucleic acids and transient protein complexes found in aqueous droplets. We conclude that this new emerging direction in the use of simulations can lead to estimates of equilibrium constant corrections due to complex dissociation in the carrier droplet and finding of agents that may stabilize the protein interfaces.
Related Concept Videos
Electrospray Ionization (ESI) Mass Spectrometry
ESI utilizes electrical energy to transfer ions from the liquid phase of the sample into the...
Mass Spectrometry: Overview
Capillary Electrophoresis: Applications
Capillary zone electrophoresis (CZE) separates ionic components based on their electrophoretic mobility. It has been used to separate proteins, amino acids,...
Chemical Ionization (CI) Mass Spectrometry
Mass Spectrum: Interpretation
Tandem Mass Spectrometry

