Application of Chemometrics in the Metabolomics Pipeline

Thursday, April 4, 2019

Time: 15.00-16.00 (CEST)

Sartorius Stedim Data Analytics (SSDA) invites to a webinar on the use of MVDA in metabolomics.

Availability of large cohorts of samples with related metadata has increased in recent years, providing scientists with extensive and well-described material for studies. At the same time, increased availability of modern high-throughput ‘omics’ technologies resulted in the potential for generating massive amounts of chemical data. These developments place high requirements on study planning, execution, and analysis of data. From a practical point of view it means that each experimental step, including selection of relevant samples, their chemical analysis and finally extraction and integration of useful information from the obtained data, have to be optimized and strictly controlled. This cannot be achieved without application of chemometric approaches.

The strategy for performing reliable metabolomics analysis of high number of samples will be presented here. This strategy starts with sample selection and, if needed, subdivision of samples into representative analytical batches with application of multivariate characterization and design of experiment approaches. Chemical analysis of samples is performed according to standard operating protocols using GCMS-TOF and LCMS-QTOF untargeted profiling platforms as well as LCMS-QQQ targeted profiling approaches. Experimental drift in the chromatographic data as well as efficiency of data normalization are evaluated with the Orthogonal Projections to Latent Structures (OPLS®) approach. Data analysis is performed with the multivariate data analysis methods, which allow also for integration of results obtained from different analytical batches/experiments. The presented strategy will be discussed based on several examples from metabolomics and lipidomics analyses of samples from clinical studies of autoimmunological and infectious diseases.

This webinar is presented by Dr Izabella Surowiec, member of the Sartorius Corporate Research team. She will emphasize the importance of applying multivariate approaches throughout the whole experimental pipeline, and share the practical experiences she has gained from application of metabolomics as an exploratory approach in clinical projects.

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