Name: Tina Wigger
Diploma / M.Sc degree: Westfälische Wilhelms-Universität Münster, Germany
(August 2013)

PhD Project: Simulation of metabolic processes of xenobiotics using hyphenated techniques

Abstract of Research Project

During the past years, the online coupling of electrochemistry and mass spectrometry (EC-MS) has shown a great potential for the simulation of metabolic processes of xenobiotics. The aim of this approach is to predict the oxidative metabolism reactions that naturally take place in the human body. This way, information about the metabolic fate of toxicologically relevant substances, such as drugs and environmental pollutants, is obtained.

During the investigations, the substances of interest are oxidized within an electrochemical flow-through cell and the resulting oxidation products are detected and characterized via mass spectrometry. By integrating a chromatographic separation into the set-up, further structural and polarity information about the products is obtained. The quantification of heteroatom-containing products is achieved using inductively coupled plasma-mass spectrometry (ICP-MS).

A major challenge in metabolism studies is the identification of reactive metabolites, which may bind to biomolecules, such as proteins and DNA, and therefore may cause severe health issues. Within the conventionally performed in vivo and in vitro studies, the detection of such metabolites is often hampered due to the complex matrix present in the sample mixture. EC-MS as a purely instrumental method not only enables the direct detection of reactive oxidation products but also offers the opportunity to study the formation of adducts with biomolecules by using trapping agents, such as glutathione or proteins.