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http://hdl.handle.net/1942/26197
Title: | Estimation of Rates of Reactions Triggered by Electron Transfer in Top-Down Mass Spectrometry | Authors: | Ciach, Michal Aleksander Lacki, Mateusz Krzysztof Miasojedow, Blazej Lermyte, Frederik VALKENBORG, Dirk Sobott, Frank Gambin, Anna |
Issue Date: | 2017 | Publisher: | Springer | Source: | Cai, Z.; Daescu, O.; Li, M. (Ed.). BIOINFORMATICS RESEARCH AND APPLICATIONS (ISBRA 2017), Springer,p. 96-107 | Series/Report: | Lecture Notes in Bioinformatics | Series/Report no.: | 10330 | Abstract: | Electron transfer dissociation (ETD) is a versatile technique used in mass spectrometry for the high-throughput characterization of proteins. It consists of several competing reactions triggered by the transfer of an electron from its anion source to the sample cations. One can retrieve relative quantities of the products from mass spectra. We present a method to analyze these results from the perspective of the reaction kinetics. A formal mathematical model of the ETD process is introduced and parametrized by intensities of the occurring reactions. Also, we introduce a method to estimate the reaction intensities by solving a nonlinear optimization problem. The presented method proves highly robust to noise on in silico generated data. Moreover, the presented model can explain a considerable amount of experimental results obtained under various experimental settings. | Notes: | Ciach, MA; Lacki, MK (reprint author), Univ Warsaw, Fac Math Informat & Mech, Warsaw, Poland. m_ciach@student.uw.edu.pl; mateusz.lacki@biol.uw.edu.pl | Keywords: | Molecular Species; Basic Amino Acid; Electron Transfer Dissociation; Backbone Cleavage; Reaction Graph | Document URI: | http://hdl.handle.net/1942/26197 | ISBN: | 9783319595740 | DOI: | 10.1007/978-3-319-59575-7_9 | ISI #: | 000434328000009 | Category: | C1 | Type: | Proceedings Paper | Validations: | ecoom 2019 |
Appears in Collections: | Research publications |
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