Song Liwen, Reese Jasmine G, Platt Michael A, Lewis Claire, Eardley-Brunt Annabel S J, Sun Bo, Ansorge Olaf, Vallance Claire
Department of Chemistry, University of Oxford, Chemistry Research Laboratory, 12 Mansfield Rd, Oxford OX1 3TA, UK.
Academic Unit of Neuropathology, Nuffield Department of Clinical Neurosciences, University of Oxford, John Radcliffe Hospital, Oxford OX3 9DU, UK.
Analyst. 2025 May 15. doi: 10.1039/d5an00166h.
The use of rapid mass spectrometry techniques, such as atmospheric-solids-analysis-probe mass spectrometry (ASAP-MS), in the analysis of metabolite patterns in clinical samples holds significant promise for developing new diagnostic tools and enabling rapid disease screening. The rapid measurement times, ease of use, and relatively low cost of ASAP-MS makes it an appealing option for use in clinical settings. However, despite the potential of such approaches, a number of important experimental considerations are often overlooked. As well as instrument-specific choices and settings, these include the treatment of background noise and/or contaminant peaks in the mass spectra, and the influence of consumables, different users, and batch effects more generally. The present study assesses the impact of these various factors on measurement accuracy and reproducibility, using human brain and cerebrospinal fluid samples as examples. Based on our results, we make a series of recommendations relating to optimisation of measurement and cleaning protocols, consumable selection, and batch effect detection and correction, in order to optimise the reliability and reproducibility of ASAP-MS measurements in clinical settings.
使用快速质谱技术，如常压固体分析探针质谱（ASAP-MS），分析临床样本中的代谢物模式，对于开发新的诊断工具和实现快速疾病筛查具有重大前景。ASAP-MS的快速测量时间、易用性和相对较低的成本使其成为临床应用中一个有吸引力的选择。然而，尽管这些方法具有潜力，但一些重要的实验考虑因素常常被忽视。除了仪器特定的选择和设置外，这些因素还包括质谱中背景噪声和/或污染物峰的处理，以及更普遍的耗材、不同用户和批次效应的影响。本研究以人脑和脑脊液样本为例，评估了这些各种因素对测量准确性和可重复性的影响。根据我们的结果，我们提出了一系列关于优化测量和清洁方案、耗材选择以及批次效应检测和校正的建议，以优化临床环境中ASAP-MS测量的可靠性和可重复性。
