Parsimonious Charge Deconvolution for Native Mass Spectrometry
| Autor: | Bern, Marshall, Caval, Tomislav, Kil, Yong J, Tang, Wilfred, Becker, Christopher, Carlson, Eric, Kletter, Doron, Sen, K Ilker, Galy, Nicolas, Hagemans, Dominique, Franc, Vojtech, Heck, Albert J R, Sub Biomol.Mass Spectrometry & Proteom., Afd Biomol.Mass Spect. and Proteomics, Biomolecular Mass Spectrometry and Proteomics |
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| Přispěvatelé: | Sub Biomol.Mass Spectrometry & Proteom., Afd Biomol.Mass Spect. and Proteomics, Biomolecular Mass Spectrometry and Proteomics |
| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
0301 basic medicine
glycoprotein Spectrometry Mass Electrospray Ionization Glycosylation maximum entropy Entropy Electrospray ionization Static Electricity Antibodies Monoclonal Humanized Mass spectrometry high-resolution native mass spectrometry Peptide Mapping 01 natural sciences Biochemistry Article parsimony 03 medical and health sciences cetuximab Humans Trypsin Glycoproteins intact mass Physics Range (particle radiation) algorithm factor P Principle of maximum entropy 010401 analytical chemistry Charge (physics) General Chemistry Plasma Peptide Fragments 0104 chemical sciences Computational physics Solutions properdin 030104 developmental biology daclizumab monoclonal antibody Immunoglobulin G Proteolysis Mass spectrum Deconvolution infliximab Algorithms |
| Zdroj: | Journal of Proteome Research, 17(3), 1216. American Chemical Society Journal of Proteome Research |
| ISSN: | 1535-3893 |
| Popis: | Charge deconvolution infers the mass from mass over charge (m/z) measurements in electrospray ionization mass spectra. When applied over a wide input m/z or broad target mass range, charge-deconvolution algorithms can produce artifacts, such as false masses at one-half or one-third of the correct mass. Indeed, a maximum entropy term in the objective function of MaxEnt, the most commonly used charge deconvolution algorithm, favors a deconvolved spectrum with many peaks over one with fewer peaks. Here we describe a new "parsimonious" charge deconvolution algorithm that produces fewer artifacts. The algorithm is especially well-suited to high-resolution native mass spectrometry of intact glycoproteins and protein complexes. Deconvolution of native mass spectra poses special challenges due to salt and small molecule adducts, multimers, wide mass ranges, and fewer and lower charge states. We demonstrate the performance of the new deconvolution algorithm on a range of samples. On the heavily glycosylated plasma properdin glycoprotein, the new algorithm could deconvolve monomer and dimer simultaneously and, when focused on the m/z range of the monomer, gave accurate and interpretable masses for glycoforms that had previously been analyzed manually using m/z peaks rather than deconvolved masses. On therapeutic antibodies, the new algorithm facilitated the analysis of extensions, truncations, and Fab glycosylation. The algorithm facilitates the use of native mass spectrometry for the qualitative and quantitative analysis of protein and protein assemblies. |
| Databáze: | OpenAIRE |
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