Emwas Abdul-Hamid, Roy Raja, McKay Ryan T, Ryan Danielle, Brennan Lorraine, Tenori Leonardo, Luchinat Claudio, Gao Xin, Zeri Ana Carolina, Gowda G A Nagana, Raftery Daniel, Steinbeck Christoph, Salek Reza M, Wishart David S
Imaging and Characterization Core Lab, KAUST , Thuwal 23955-6900, Kingdom of Saudi Arabia.
Centre of Biomedical Research, formerly, Centre of Biomedical Magnetic Resonance, Sanjay Gandhi Post-Graduate Institute of Medical Sciences Campus , Lucknow, Uttar Pradesh, India.
J Proteome Res. 2016 Feb 5;15(2):360-73. doi: 10.1021/acs.jproteome.5b00885. Epub 2016 Jan 20.
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.
基于核磁共振（NMR）的代谢组学在疾病诊断和生物标志物发现方面显示出了巨大的潜力，因为它能够在不破坏生物流体和组织的情况下，对大量新型代谢物生物标志物进行鉴定和定量。精确的代谢物定量是将任何化学生物标志物或生物标志物组合从实验室应用到临床的前提条件。在常用于疾病诊断和预后评估的生物流体中，尿液具有多个优势。它含量丰富、无菌且易于获取，几乎无需样品制备，并且收集时不需要侵入性医疗程序。此外，尿液会捕获并浓缩全身许多“不需要的”或“不良的”化合物，提供了丰富的潜在有用疾病生物标志物来源；然而，尿液化学成分浓度的巨大差异使得通过核磁共振对尿液进行分析以及识别有用的尿液生物标志物具有挑战性。我们讨论了基于核磁共振的尿液代谢组学的一些最重要问题，特别强调了用于疾病生物标志物应用的代谢物定量，并就核磁共振脉冲序列、可接受的采集参数范围、弛豫对定量的影响、仪器差异的正确处理、样品制备和生物标志物评估等方面提出了数据收集和仪器方面的建议。
