Chemometrics in metabolomics, 'omics profiling and systems biology
Event details
| Date | 26.11.2010 |
| Hour | 10:15 |
| Speaker | Dr. J. Trygg, Computational life science cluster, Department of Chemistry, Umea University, Umea, Sweden. |
| Location |
ME C2 405
|
| Category | Conferences - Seminars |
Experimental sciences, e.g. biology, chemistry and medicine have to a large extent become information sciences and in turn, bioinformatics and chemometrics are now prerequisites for experimental and applied research [1]. In systems biology, the general trend is to perform increasingly comprehensive characterizations of organisms in order to study the associations between their molecular and cellular components in greater detail. Abundances of transcripts, proteins and metabolites are measured at a current state or over time and analyzed using advanced mathematical and computational techniques. One of the recent developments is the OPLS [2] method and its extensions O2PLS [3], OPLS-DA [4] that have been successfully applied for prediction of clinical endpoints [5] and data integration of data sets from an array of profiling technologies [6,7]. This allows for better class separation, simpler interpretation, and the opportunity to identify potential biomarkers as well as provide an understanding of experimental and biological variation. I will also describe how to take into account the individual dynamics. A novel approach is to use each individual as its own reference. This corresponds to modeling the dynamic behavior over time, based on each individual’s trajectory to identify interesting patterns or trends. Statistical modeling and data integration across platforms of each individual trajectory can then be used to summarize the global dynamic behavior over all individuals. This makes it possible to handle the different types of variations such as individual differences in kinetics, circadian rhythm, and fast and slow responders.
Several studies in biology and medicine will be presented and discussed.
1. Trygg J, Holmes E, Lundstedt T, Chemometrics in metabonomics, J.Prot.Research 62: 469-479 2007
2. Trygg J, Wold S. Orthogonal projections to latent structures (O-PLS). J. Chemometrics., 2002; 16: 119-128.
3. Trygg J, Wold S, J. Chemometr, 17 (1): 53-64 2003
4. Bylesjö M, Rantalainen M, Cloarec O, Nicholson J, Holmes E, Trygg J. J. Chemometrics, 2006; 20:341-351
5. MAQC Consortium, Nature Biotech, 28: 827-U109 2010
6. Rantalainen, M., Cloarec, O., Beckonert, O, Wilson, I D. Jackson D., J. Prot.Research 5(10): 2642-2655 2006
7. Bylesjo M, Eriksson D, Kusano M, Moritz T, Trygg J. The Plant Journal 2007 52, 6:1181-91
Links
Practical information
- General public
- Free