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基于非靶向 LC/MS 的代谢组学分析(代谢组学):现状。

Untargeted LC/MS-based metabolic phenotyping (metabonomics/metabolomics): The state of the art.

机构信息

Department of Medicine, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece; Biomic AUTh, Center for Interdisciplinary Research and Innovation (CIRI-AUTH), Balkan Center B1.4, 10th km Thessaloniki-Thermi Rd, P.O. Box 8318, GR 57001 Thessaloniki, Greece; FoodOmicsGR Research Infrastructure, Center for Interdisciplinary Research and Innovation (CIRI-AUTH), Balkan Center B1.4, 10th km Thessaloniki-Thermi Rd, P.O. Box 8318, GR 57001 Thessaloniki, Greece.

Biomic AUTh, Center for Interdisciplinary Research and Innovation (CIRI-AUTH), Balkan Center B1.4, 10th km Thessaloniki-Thermi Rd, P.O. Box 8318, GR 57001 Thessaloniki, Greece; FoodOmicsGR Research Infrastructure, Center for Interdisciplinary Research and Innovation (CIRI-AUTH), Balkan Center B1.4, 10th km Thessaloniki-Thermi Rd, P.O. Box 8318, GR 57001 Thessaloniki, Greece; Department of Chemistry, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece.

出版信息

J Chromatogr B Analyt Technol Biomed Life Sci. 2019 Jun 1;1117:136-147. doi: 10.1016/j.jchromb.2019.04.009. Epub 2019 Apr 8.

DOI:10.1016/j.jchromb.2019.04.009
PMID:31009899
Abstract

Liquid chromatography (LC) hyphenated to mass spectrometry is currently the most widely used means of determining metabolic phenotypes via both untargeted and targeted analysis. At present a range of analytical separations, including reversed-phase, hydrophilic interaction and ion-pair LC are employed to maximise metabolome coverage with ultra (high) performance liquid chromatography (UHPLC) increasingly displacing conventional high performance liquid chromatography because of the need for short analysis times and high peak capacity in such applications. However, it is widely recognized that these methodologies do not entirely solve the problems facing researchers trying to perform comprehensive metabolic phenotyping and in addition to these "routine" approaches there are continuing investigations of alternative separation methods including 2-dimensional/multi column approaches. These involve either new stationary phases or multidimensional combinations of the more conventional materials currently used, as well as application of miniaturization or "new" approaches such as supercritical HP and UHP- chromatographic separations. There is also a considerable amount of interest in the combination of chromatographic and ion mobility separations, with the latter providing both an increase in resolution and the potential to provide additional structural information via the determination of molecular collision cross section data. However, key problems remain to be solved including ensuring quality, comparability across different laboratories and the ever present difficulty of identifying unknowns.

摘要

液相色谱(LC)与质谱联用是目前最广泛用于通过非靶向和靶向分析来确定代谢表型的方法。目前,包括反相、亲水相互作用和离子对 LC 在内的一系列分析分离方法被用于最大限度地覆盖代谢组,超高效液相色谱(UHPLC)由于需要在这些应用中缩短分析时间和提高峰容量,因此越来越取代传统的高效液相色谱。然而,人们普遍认识到,这些方法并不能完全解决研究人员在进行全面代谢表型研究时所面临的问题。除了这些“常规”方法外,还在不断研究替代分离方法,包括二维/多柱方法。这些方法涉及新的固定相或目前使用的更常规材料的多维组合,以及微型化或“新”方法的应用,如超临界高压和超高压色谱分离。色谱和离子淌度分离的结合也引起了相当大的兴趣,后者不仅提高了分辨率,而且还有可能通过确定分子碰撞截面数据来提供额外的结构信息。然而,仍有一些关键问题需要解决,包括确保质量、不同实验室之间的可比性以及始终存在的识别未知物的困难。

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