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Statistical Search Space Reduction and Two-Dimensional Data Display Approaches for UPLC—MS in Biomarker Discovery and Pathway Analysis.
- Source :
-
Analytical Chemistry . 7/1/2006, Vol. 78 Issue 13, p4398-4408. 11p. 1 Diagram, 4 Charts, 5 Graphs. - Publication Year :
- 2006
-
Abstract
- A new analytical strategy for biomarker recovery from directly coupled ultra-performance liquid chromatography time-of-flight mass spectrometry (UPLC Tof MS) data on biofluids is presented and exemplified using a study on hydrazine-induced liver toxicity. A key step in the strategy involves a novel procedure for reducing the spectroscopic search space by differential analysis of cohorts of normal and pathological samples using an orthogonal projection to latent structures discriminant analysis (O-PLS-DA). This efficiently sorts principal discriminators of toxicity from the background of thousands of metabolic features commonly observed in data sets generated by UPLC-MS analysis of biological fluids and is thus a powerful tool for biomarker discovery. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00032700
- Volume :
- 78
- Issue :
- 13
- Database :
- Academic Search Index
- Journal :
- Analytical Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 21579653
- Full Text :
- https://doi.org/10.1021/ac060168o