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Doctoral thesis
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English

Strategies for high resolution profiling of natural extracts: UHPLC-MS and physicochemical approaches for early metabolite identification

ContributorsEugster, Philippe
Defense date2013-08-29
Abstract

Natural products (NPs) play a key role in chemical biology and drug development thanks to their high diversity in chemical space. This diversity however renders their separation and universal detection challenging. Recently, ultra-high pressure liquid chromatography (UHPLC) systems have been recognised as the most versatile technique for the efficient separation of NPs in crude complex mixtures. This work firstly investigated the separation of small molecules and peptides in complex natural mixtures by UHPLC and ion mobility spectrometry (IMS). Secondly, a dereplication (rapid identification of known compounds) method was developed for the identification of NPs present in natural extracts by high resolution mass spectrometry (HR-MS) with the combined use of heuristic filters, chemotaxonomic information and a new and original retention prediction method. This thesis showed that the new developments in UHPLC and HR‐MS applied to high resolution metabolite profiling of complex natural matrices give promising perspectives in dereplication and metabolomics.

eng
Keywords
  • Natural products
  • UHPLC-TOF-MS
  • High resolution profiling
  • Lipophilicity
  • LogP
  • Dereplication
Research group
Citation (ISO format)
EUGSTER, Philippe. Strategies for high resolution profiling of natural extracts: UHPLC-MS and physicochemical approaches for early metabolite identification. 2013. doi: 10.13097/archive-ouverte/unige:34373
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Creation02/06/2014 11:46:00 AM
First validation02/06/2014 11:46:00 AM
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