Disentangling of information about the structure of biomolecules based on decomposition and separation of two-dimensional charge distributions of ions 


V.V. Raznikov, M.O. Raznikova, M.L. Pridatchenko

Eleсtrospray/ionization mass spectra of biomolecules typically consist of a series of multiply charged ions due to proton or other charge carriers transfer between the ions of biomolecules and surrounding liquid or gas. The distribution of ions retained the charge carriers contains information about the spatial structure of biomolecules. A new method of separation and decomposition of multidimensional charge distributions of ions having the other charge carriers, such as the ions of alkali metals, along with the protons is developed. The proposed method allows estimating the probability of charge carrier retention by separate functional groups for selected conformations of the biomolecules. The paper describes the application of this method to the analysis of two-dimensional charge state distribution of horse heart cytochrome C, which results in revealing of at least two its structural forms under considered conditions.

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