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Spectroscopy – Detective in Science Book of Abstracts - Universität ...

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Captur<strong>in</strong>g Proteolytic Activity <strong>in</strong> Mass Spectrometry Measurements<br />

Stephan Aiche<br />

Institute <strong>of</strong> Mathematics, Biocomput<strong>in</strong>g Group, Freie <strong>Universität</strong> Berl<strong>in</strong><br />

E-mail : Stephan.Aiche(at) u-berl<strong>in</strong>.de<br />

Abstract<br />

Proteases are key players <strong>in</strong> a majority <strong>of</strong> biological processes. They are not only<br />

associated with food catabolism but play also an important role <strong>in</strong> the regulation <strong>of</strong><br />

complex cascades like blood coagulation, cell cycle progression, and apoptosis.<br />

Despite their importance they also play a problematic role <strong>in</strong> proteomic<br />

measurements, s<strong>in</strong>ce the ex vivo activity <strong>of</strong> proteases can destroy peptide pr<strong>of</strong>iles or<br />

lead to <strong>in</strong>correct conclusions based on peptide pr<strong>of</strong>ile differences which are based<br />

on degradation and not on a biological phenomena.<br />

We therefore present an approach to identify proteolytic reactions <strong>in</strong> mass<br />

spectrometry measurements. The identified reactants are organized <strong>in</strong> a network<br />

and connected by the assumed reactions. The constructed network is used to<br />

generate a mathematical model which characterizes the activity <strong>of</strong> proteolytic<br />

reactions. The constructed mathematical model comb<strong>in</strong>ed with time series<br />

measurements is used to estimate the reaction parameters.<br />

We present first results <strong>of</strong> this approach on simulated data that show a good<br />

recovery <strong>of</strong> the orig<strong>in</strong>al reaction system as well as the reaction parameters.<br />

Abstract <strong>of</strong> talk<br />

19

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