Metabolomics - CERM
Metabolomics - CERM Metabolomics - CERM
NMR versus MS • Quantitative, very fast • Requires no work up or separation • Allows analysis of 300+ cmpds at once • Not sensitive • Quite fast • Very sensitive • Allows analysis or ID of 3000+ cmpds at once • Not quantitative • Requires work-up
2 Routes to Metabolomics Two approaches: • Identify as many metabolites as possible • Use the whole spectrum as a fingerprint (statistics) ppm hippurate urea fumarate 7 6 5 ppm Quantitative methods hippurate allantoin creatinine taurine water 4 7 TMAO 3 citrate 2 6 creatinine 1 5 2-oxoglutarate succinate 4 3 2 1 Chemometric methods (fingerprinting and pattern recognition) 25 PC2 20 15 10 5 0 -5 -10 -15 -20 -25 -30 -20 -10 0 PC1 10
- Page 1 and 2: Metabolomics Leonardo Tenori FiorGe
- Page 3 and 4: “La metabolomica è l’ultima na
- Page 5 and 6: Metabolomica: la nuova frontiera
- Page 7 and 8: Metabonomics “…measurement of t
- Page 9 and 10: Metabolomica: alcuni obiettivi Valu
- Page 11 and 12: Metabolomica: alcuni obiettivi Scop
- Page 13 and 14: The metabolome consists of what? Sm
- Page 15 and 16: C om p ound class N u m b er C om p
- Page 17 and 18: Why 1 µM? Equals ~200 ng/mL Limit
- Page 19 and 20: Medical Metabolomics Generate metab
- Page 21 and 22: Traditional Metabolite Analysis HPL
- Page 23 and 24: What’s the Difference Between Met
- Page 25: Advantages Measure multiple (10’s
- Page 29 and 30: Benefits of analyzing the metabolom
- Page 31 and 32: Advantages: Use of NMR in Non-destr
- Page 33 and 34: Raccolta e stoccaggio dei campioni
- Page 35 and 36: NMR A typical 950-MHz H NMR spectru
- Page 37 and 38: Profilo 1 H NMR di urina umana
- Page 39 and 40: Profilo di siero umano Proteins + L
- Page 41 and 42: Data analysis - approach Classify N
- Page 43: PCA Unsupervised Multivariate analy
- Page 51 and 52: PCA Loadings Plot • Loadings plot
- Page 53 and 54: SIMCA Supervised learning method ba
- Page 55 and 56: OPLS OPLS method is a recent modifi
- Page 57 and 58: Targeted profiling Targeted metabol
- Page 59 and 60: Databases
- Page 61 and 62: Effetto della dieta Trimetilammina
- Page 63 and 64: Effetto delle patologie Campioni di
- Page 65 and 66: METabolomic REFerence The METREF pr
- Page 67 and 68: Ind 1 Ind 2 METabolomic REFerence G
- Page 69 and 70: METabolomic REFerence Dendrogram of
- Page 71 and 72: METabolomic REFerence An individual
- Page 73 and 74: METabolomic REFerence 2 Experimenta
- Page 75 and 76: METabolomic REFerence 2 2005 collec
NMR versus MS<br />
• Quantitative, very<br />
fast<br />
• Requires no work<br />
up or separation<br />
• Allows analysis of<br />
300+ cmpds at<br />
once<br />
• Not sensitive<br />
• Quite fast<br />
• Very sensitive<br />
• Allows analysis or<br />
ID of 3000+ cmpds<br />
at once<br />
• Not quantitative<br />
• Requires work-up
Change language