Transcription of 多変量解析および単変量解析を用いたNMRメタボロームデー …
1 NMR NMR NMR (NMRmetabolicprofiling; NMR-MP) NMR-MP NMR (O)PLS-DA NMR (NMR)NM170021 Figure 1. 1H-NMR ppm Y 8 NMR JNM -ECZ 400S ROYAL ASC 30 2 1wt% 5 5-10 10 Bligh-Dyer pH = 100mM NMR 1H-NMR 8 NMR ppm ppm 194 * 16 OPLS-DA R bioconductor ( ) ropls [1] muma [2] ( ) PLS-DA OPLS-DA [5] (Figure2) OPLS-DA (Figure2(a)) (R2Y)
2 (Q2Y) S-plot (x ) (y ) (Figure2(b)) [6] NMR-MP ( ) NMR-MP Figure 2. 1H-NMR OPLS-DA (a) (b) S-plot NMR-MP (PartialLeastSquares) PLS -DA [3] NM170013[4] PLS -DA Figure 3.
3 1H-NMR (a) volcanoplot (p< > ) (p< < ) (b) Box plot Volcanoplot Volcanoplot (foldchange) p ( ) p Log2 -Log10 volcanoplot R muma p volcano volcanoplot ShapiroWilk Welch T Mann-Whitney U Benjamini-Hochberg (FalseDiscoveryRate ) p volcano NMR [7] [1] Gentleman; al.
4 ,GenomeBiol.(2004 )5, R80. Th venot; , Roux; A., Xu; Y., Ezan;E., Junot; C.,J. ProteomeRes.(2015)14, 3322.[2] Gaude; E.,et al .Curr. Metabolomics(2013)1, 180.[3] Barker; Rayens; W., J. Chemometrics(2003)17, 166.[4] NMR (NM 170013).[5] Eriksson; al .,J. Chemometrics(2008)22, 594.[6] Contento; A. al .,Plant Physiol.(2004)135, 2330.[7] Goodpaster; A. al .,Anal Biochem.(2010)401, 134. Figure 3(a) 1H-NMR volcanoplot p< p< > (Figure3(a) ) p< < ( ) , ppm ( ) , , , , ppm His, Tyr, Phe , Trp box plot (Figure3(b)) Boxplot (25 percentile) (50 percentile) (75 percentile) Figure3(b)
5 Ppm Tyr Trp boxplot n=8 ppm box plot ppm choline malate voxplot NMR-MP volcanoplot 3
