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Keio Institute: 48 MS

This article discusses cutting-edge metabolomic techniques, including MRM-based plasma analysis using logistic regression for biomarker identification in various diseases. It highlights critical methodologies such as gas chromatography-mass spectrometry and NMR spectroscopy, aimed at enhancing metabolic profiling. The work of experts like David Wishart is presented alongside the release of public databases that assist in the annotation of plant gene functions and the exploration of metabolic networks. Essential protocols and data analysis frameworks are also reviewed for comprehensive understanding.

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Keio Institute: 48 MS

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  1. Keio Institute: 48 MS

  2. Q1/Q3-pairs: 50-100 analytes in a single experiment. Plasma: 415 MRM type Logistic regression: Odds Ratio?

  3. David Wishart: Biomarker databases Chemical biomarkers: 2100 Diseases/conditions: 3000 Cell-based biomarkers: 700 …

  4. Public database release: Jan. 2012. • 为保证重现行，每批样品<120个 • 运行次序： 10QC-1空白-标样-5样品-1QC

  5. Nat. Protoc. 1.Analytical platform for metabolome analysis of microbial cells using methyl chloroformatederivatization followed by gas chromatography-mass spectrometry. Smart KF, Aggio RB, Van Houtte JR, Villas-Bôas SG. Nat Protoc. 2010 Sep;5(10):1709-29. Epub 2010 Sep 30. 2.Combining genetic diversity, informatics and metabolomics to facilitate annotation of plant gene function. Tohge T, Fernie AR. Nat Protoc. 2010;5(6):1210-27. Epub 2010 Jun 10. 3.High-resolution magic-angle-spinning NMR spectroscopy for metabolic profiling of intact tissues. Beckonert O, Coen M, Keun HC, Wang Y, Ebbels TM, Holmes E, Lindon JC, Nicholson JK. Nat Protoc. 2010;5(6):1019-32. Epub 2010 May 13. 4.Global metabolic profiling procedures for urine using UPLC-MS. Want EJ, Wilson ID, Gika H, Theodoridis G, Plumb RS, Shockcor J, Holmes E, Nicholson JK. Nat Protoc. 2010;5(6):1005-18. 5.NMR-based metabolomic analysis of plants. Kim HK, Choi YH, Verpoorte R. Nat Protoc. 2010;5(3):536-49. Epub 2010 Feb 25.

  6.  6.(13)C-based metabolic flux analysis. Zamboni N, Fendt SM, Rühl M, Sauer U. Nat Protoc. 2009;4(6):878-92. Epub 2009 May 21. 7.Methods for isolation, purification and structural elucidation of bioactive secondary metabolites from marine invertebrates. Ebada SS, Edrada RA, Lin W, Proksch P. Nat Protoc. 2008;3(12):1820-31. 8.Preprocessing, classification modeling and feature selection using flow injection electrospraymass spectrometry metabolite fingerprint data. Enot DP, Lin W, Beckmann M, Parker D, Overy DP, Draper J. Nat Protoc. 2008;3(3):446-70. 9.Untargeted large-scale plantmetabolomics using liquid chromatography coupled to mass spectrometry. De Vos RC, Moco S, Lommen A, Keurentjes JJ, Bino RJ, Hall RD. Nat Protoc. 2007;2(4):778-91. 10.MetaNetwork: a computational protocol for the genetic study of metabolic networks. Fu J, Swertz MA, Keurentjes JJ, Jansen RC. Nat Protoc. 2007;2(3):685-94.

  7. 11. Web-based inference of biological patterns, functions and pathways from metabolomic data using MetaboAnalystJianguo Xia1 , David S Wishart1, 2, 3Nature Protocols Volume: 6, Pages: 743–760, 2011

  8. Golmmetabolome database • 1424 measured, 1351 predicted, 3%phenyl • 818 measured, 173 predicted, 35%phenyl • 植物，水稻

  9. 植物代谢组学 • FISCHER, Bacterial Blight Disease (BLB) • 敏感、非敏感 • Canonical pathway? • #ABS 34 • TOXA infliltrated wheat, 4,12,24,48, 72 hrs. • #ABS 35 • Drought stress, wheat

  10. Data fusion • O2PLS-DA • Multi block PCA

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