Disentangling of Information About the Structure of Biomolecules Based on the Decomposition and Separation of Two-Dimentional Charge Distributions of Ions.

Electrospray ionization mass spectra of biomolecules typically consist of a series of multiply charged ions because of the transfer of protons or other charge carriers between ions of biomolecules and the surrounding liquid or gas. The distribution of intensities of ions retained charge carriers contains information about the spatial structure of biomolecules. A new method is developed for the separation and decomposition of multidimensional charge distributions of ions bearing other charge carriers, such as alkali metal ions, along with protons. The proposed method ensures the estimation of the probability of charge carrier retention by separate functional groups for the selected conformations of biomolecules. The paper describes the application of this method to the analysis of a two-dimensional charge distribution of horse heart cytochrome C, resulting in the revelation of at least two its structural forms under the studied conditions. [ABSTRACT FROM AUTHOR]