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Bad Münster am Stein-Ebernburg, Germany

Faber H.,Corrensstr. 30 | Jahn S.,Corrensstr. 30 | Kunnemeyer J.,Corrensstr. 30 | Simon H.,Corrensstr. 30 | And 3 more authors.
Angewandte Chemie - International Edition | Year: 2011

The on-line combination of the three analytical techniques electrochemistry (EC), liquid chromatography (LC) and mass spectrometry (MS) has been introduced in recent years as a new toolfor the simulation of the oxidative metabolism of drugs and other xenobiotics. The purely instrumental approach is useful for the prediction of many phase I and phase II metabolic reactions, including the adduct formation with small biogenic thiols as glutathione or even thiol-containing proteins. While the different mechanisms taking place in electrochemical and enzyme-catalyzed metabolic reactions do not allow a complete simulation of the biological situation by the instrumental approach, many reactions observed in vivo are observed by EC/LC/MS as well. Particular advantages are found for the instrumental system in case of reactive metabolites, which can be observed directly when using this approach. Other advantages are the possibility to synthesize small quantities of the metabolites in an electrochemical cell with the goal to allow their further characterization by NMR spectroscopy and to generate calibration standards of the metabolites. For selected hetero atom-containing metabolites, quantfication may be carried out without a substance-speqjic internal standard by inductively coupled plasma-mass spectrometry (ICP-MS) after LC separation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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