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Balancing metabolome coverage and reproducibility for untargeted NMR-based metabolic profiling in tissue samples through mixture design methods
- Source :
- Analytical and bioanalytical chemistry. 410(29)
- Publication Year :
- 2018
-
Abstract
- Untargeted metabolomics attempts to acquire a comprehensive and reproducible set of small-molecule metabolites in biological systems. However, metabolite extraction method significantly affects the quality of metabolomics data. In the present study, we calculated the number of peaks (NP) and coefficient of variation (CV) to reflect metabolome coverage and reproducibility in untargeted NMR-based metabolic profiling of tissue samples in rats under different methanol/chloroform/water (MCW) extraction conditions. Different MCW extractions expectedly generated diverse characteristics of metabolome. Moreover, the classic MCW method revealed tissue-specific differences in the NP and CV values. To obtain high-quality metabolomics data, therefore, we used mixture design methods to optimize the MCW extraction strategy by maximizing the NP value and minimizing the CV value in each tissue sample. Results show that the optimal formulations of MCW extraction were 2:2:8 (ml/mg tissue) for brain sample, 2:4:6 (ml/mg tissue) for heart sample, 1.3:2:8.7 (ml/mg tissue) for liver sample, 4:2:6 (ml/mg tissue) for kidney sample, 2:3:7 (ml/mg tissue) for muscle sample, and 2:4:6 (ml/mg tissue) for pancreas sample. Therefore, these findings demonstrate that different tissue samples need a specific optimal extraction condition for balancing metabolome coverage and reproducibility in the untargeted metabolomics study. Mixture design method is an effective tool to optimize metabolite extraction strategy for tissue samples. Graphical abstract ᅟ.
- Subjects :
- 0301 basic medicine
Magnetic Resonance Spectroscopy
Metabolite
Coefficient of variation
Tissue sample
01 natural sciences
Biochemistry
Analytical Chemistry
03 medical and health sciences
chemistry.chemical_compound
Metabolomics
Metabolome
Animals
Pancreas
Brain Chemistry
Reproducibility
Chromatography
Myocardium
010401 analytical chemistry
Reproducibility of Results
0104 chemical sciences
Rats
030104 developmental biology
Untargeted metabolomics
chemistry
Liver
Extraction methods
Subjects
Details
- ISSN :
- 16182650
- Volume :
- 410
- Issue :
- 29
- Database :
- OpenAIRE
- Journal :
- Analytical and bioanalytical chemistry
- Accession number :
- edsair.doi.dedup.....22d0139909c8680f9d1d6e16c943db22