AGRI402291 Introduction to metabolomics - analytical workflows, data processing and visualization (in Eng.)

Art
Vorlesung und Übung
Semesterstunden
2
Vortragende/r (Mitwirkende/r)
Hann, Stephan , Schuhmacher, Rainer , Steininger-Mairinger, Teresa , Hildebrand, Felina , Büschl, Christoph
Organisation
Bioanalytik und Agro-Metabolomics
Angeboten im Semester
Wintersemester 2025/26
Unterrichts-/ Lehrsprachen
Englisch
Lehrinhalt

The course will be divided into two parts. The first part will focus on targeted metabolomics approaches, in which predefined compounds will be used as standards to measure their occurrence and absolute concentration in biological samples. The second part will concentrate on untargeted approaches, which aim at the unbiased measurement of all small molecules present in a biological sample. In contrast to targeted approaches, untargeted approaches are typically limited to a relative comparison between experimental treatments and control conditions. For the untargeted approach, experiments investigating biotic and abiotic stress in wheat serve as example studies which will provide the datasets to be evaluated in this lecture and exercise course.
The course will cover
•Metabolomics: Principles and experimental approaches (targeted vs. untargeted)
•Short recap of liquid chromatography-mass spectrometry theory and instrumentation
•Introduction into quantitative analysis (calibration and quantification strategies with and without internal standardization)
•Hands-on familiarization with LC-QTOFMS at Institute of Analytical Chemistry
•Validation of analytical methods, measurement uncertainty, and quality control in the analytical laboratory
•Sample preparation, measurement, data evaluation, and reporting within absolute quantification workflows for target metabolomics in biological samples
•Untargeted metabolomics approaches: Experimental design and data acquisition: concepts and examples
•Introduction to untargeted data evaluation at the example of the open-source platform MZmine
•Methods for data processing prior to statistics (e.g., normalization, filtering)
•Statistical analysis of metabolomics data (univariate & multivariate methods)
•Annotation and identification (Library matching, molecular networking (Cytoscape)
•Data visualization and interpretation.
Inhaltliche Voraussetzungen (erwartete Kenntnisse)

•Basic understanding of biochemistry, biochemistry, instrumental analytical chemistry and statistics
•Prior experience in laboratory techniques is beneficial
Lehrziel

After attending the course, you will be able to
1) explain and apply the general concept, experimental design of targeted and untargeted metabolomics studies
2) understand and describe commonalities and differences between both approaches
3) critically inspect your measurement data for the presence and identity of metabolites
4) quantify target metabolites and assess the accuracy of the quantitative results
5) utilize open-source software tools (e.g., MZmine, Cytoscape) for untargeted data evaluation
5) use univariate and multivariate statistics to visualize and evaluate experimental results
6) critically evaluate metabolomics data and draw meaningful conclusions
Noch mehr Informationen zur Lehrveranstaltung, wie Termine oder Informationen zu Prüfungen, usw. finden Sie auf der Lehrveranstaltungsseite in BOKUonline.