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Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)
Published on: May 20, 2013
Exploratory urinary metabolic biomarkers and pathways using UPLC-Q-TOF-HDMS coupled with pattern recognition approach
Aihua Zhang1, Hui Sun, Ying Han
1National TCM Key Lab of Serum Pharmacochemistry, Heilongjiang University of Chinese Medicine, Harbin, China.
The Analyst
|August 2, 2012
Summary
This study identifies four key urinary metabolites for early, non-invasive diagnosis of liver-stagnation and spleen-deficiency syndrome (LSS). These biomarkers show high sensitivity, offering a promising new screening tool for LSS patients.
Area of Science:
- Metabolomics
- Biomarker Discovery
- Systems Biology
Background:
- Liver-stagnation and spleen-deficiency syndrome (LSS) diagnosis and monitoring require better biomarkers.
- Non-invasive diagnostic methods for LSS are urgently needed.
Purpose of the Study:
- To discover novel urinary biomarkers for the early, non-invasive diagnosis of human LSS.
- To utilize metabolomics for identifying differential metabolites in LSS patients.
Main Methods:
- Urine samples from LSS patients and healthy controls were analyzed using ultra-performance liquid-chromatography/electrospray-ionization synapt high-definition mass spectrometry (UPLC-Q-TOF-HDMS).
- Multivariate data analysis and ingenuity pathway analysis were employed to identify significant metabolites.
- Metabolite profiling focused on identifying differential metabolites between groups.
Main Results:
- Twelve urinary differential metabolites were identified, distinguishing LSS patients from controls.
- These metabolites are involved in key metabolic pathways including pentose and glucuronate interconversions, and amino acid metabolism.
- Four specific metabolites (prolylhydroxyproline, L-homocystine, 2-octenoylcarnitine, and α-N-phenylacetyl-L-glutamine) achieved 93.0% sensitivity for LSS diagnosis.
Conclusions:
- Metabolomics provides a powerful, non-invasive strategy for early LSS diagnosis.
- The identified metabolite panel serves as a promising screening tool for LSS.
- These findings offer new insights into the pathophysiological mechanisms of LSS.

