Recommendations and standardization of biomarker quantification using NMR-based metabolomics with particular focus on urinary analysis

Abdul-Hamid Emwas, Raja Roy, Ryan T. McKay, Danielle Ryan, Lorraine Brennan, Leonardo Tenori, Claudio Luchinat, Xin Gao, Ana Carolina Zeri, G. A. Nagana Gowda, Daniel Raftery, Christoph Steinbeck, Reza M Salek, David S. Wishart

Research output: Contribution to journalReview articlepeer-review

77 Citations (Scopus)
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NMR-based metabolomics has shown considerable promise in disease diagnosis and biomarker discovery because it allows one to nondestructively identify and quantify large numbers of novel metabolite biomarkers in both biofluids and tissues. Precise metabolite quantification is a prerequisite to move any chemical biomarker or biomarker panel from the lab to the clinic. Among the biofluids commonly used for disease diagnosis and prognosis, urine has several advantages. It is abundant, sterile, and easily obtained, needs little sample preparation, and does not require invasive medical procedures for collection. Furthermore, urine captures and concentrates many "unwanted" or "undesirable" compounds throughout the body, providing a rich source of potentially useful disease biomarkers; however, incredible variation in urine chemical concentrations makes analysis of urine and identification of useful urinary biomarkers by NMR challenging. We discuss a number of the most significant issues regarding NMR-based urinary metabolomics with specific emphasis on metabolite quantification for disease biomarker applications and propose data collection and instrumental recommendations regarding NMR pulse sequences, acceptable acquisition parameter ranges, relaxation effects on quantitation, proper handling of instrumental differences, sample preparation, and biomarker assessment.

Original languageEnglish
Article number10.1021/acs.jproteome.5b00885
Pages (from-to)360-373
Number of pages14
JournalJournal of Proteome Research
Issue number2
Publication statusPublished - 05 Feb 2016


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