Untargeted Metabolomics using Ultra-High Performance LC-MS: Applications in Systems Biology
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Abstract
Background: Untargeted metabolomics using ultra-high-performance liquid chromatography-mass spectrometry (UHPLC-MS) enables global, hypothesis-free exploration of metabolic networks, advancing systems biology and complex disease studies. Methodology: The high resolution, sensitivity, and separation efficiency of UHPLC-MS allow identification and quantification of diverse small molecules in multiple biological matrices.
Applications extend to precision medicine, microbiome studies, agriculture, and environmental sciences. Results and Analysis: This approach has been instrumental in biomarker discovery, drug development, and understanding plant–microbe and ecosystem interactions. Challenges include data complexity, unknown compound identification, and multi-omics integration. Advances in machine learning and computational tools have enhanced interpretability and opened real-time dynamic metabolomics for flux monitoring. Conclusion: UHPLC-MS-based untargeted metabolomics is reshaping systems biology, enabling deconvolution of intricate biological processes and supporting future advances in personalized medicine, environmental sustainability, and health research.
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