Norm ISWSVR Enhanced Data Repeatability and Accuracy in Large-Scale Targeted Quantification Metabolomics.

IF 3.1 2区化学 Q2 BIOCHEMICAL RESEARCH METHODS

Journal of the American Society for Mass Spectrometry Pub Date : 2025-04-03 DOI:10.1021/jasms.4c00467

Jinpeng Bai, Chenxi Li, Mingmin Qian, Xian Ding, Qian Li, Yanhua Chen, Zhaoying Wang, Zeper Abliz

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引用次数: 0

Abstract

Targeted quantification metabolomics provides dynamic insights across various domains within the life sciences. Nevertheless, maintaining high-quality data obtained through liquid chromatography-mass spectrometry presents ongoing challenges. It is essential to develop normalization methods to correct for unwanted variations in metabolomic profiling such as batch effects and analytical drift. In this study, we assessed the normalization efficacy of Norm ISWSVR in targeted quantification metabolomics by comparing it with IS normalization and SERRF normalization. Consequently, Norm ISWSVR demonstrated exceptional efficacy in mitigating batch effects and reducing the relative standard deviation of quality control samples, in addition to correcting signal drift. Following normalization with Norm ISWSVR, the number of metabolites suitable for quantification increased with high precision. Collectively, Norm ISWSVR proves to be a robust and reliable method for enhancing data quality in targeted metabolomics, establishing itself as a promising approach for metabolomics research.

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Norm ISWSVR提高了大规模靶向量化代谢组学数据的可重复性和准确性。

有针对性的量化代谢组学提供了生命科学各个领域的动态见解。然而，保持通过液相色谱-质谱法获得的高质量数据是目前的挑战。必须开发标准化方法来纠正代谢组学分析中不需要的变化，如批效应和分析漂移。在本研究中，我们通过与IS归一化和SERRF归一化进行比较，评估Norm ISWSVR在靶向量化代谢组学中的归一化效果。因此，除了校正信号漂移外，Norm ISWSVR在减轻批效应和降低质量控制样本的相对标准偏差方面表现出了卓越的功效。用Norm ISWSVR归一化后，适合定量的代谢物数量增加，精度高。综上所述，Norm ISWSVR被证明是一种增强靶向代谢组学数据质量的稳健可靠的方法，是一种很有前途的代谢组学研究方法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of the American Society for Mass Spectrometry 化学-分析化学

CiteScore

5.50

自引率

9.40%

发文量

257

审稿时长

1 months

期刊介绍： The Journal of the American Society for Mass Spectrometry presents research papers covering all aspects of mass spectrometry, incorporating coverage of fields of scientific inquiry in which mass spectrometry can play a role. Comprehensive in scope, the journal publishes papers on both fundamentals and applications of mass spectrometry. Fundamental subjects include instrumentation principles, design, and demonstration, structures and chemical properties of gas-phase ions, studies of thermodynamic properties, ion spectroscopy, chemical kinetics, mechanisms of ionization, theories of ion fragmentation, cluster ions, and potential energy surfaces. In addition to full papers, the journal offers Communications, Application Notes, and Accounts and Perspectives