图1:研究管道概述。a手术开始时，患者向医院内的SESI-HRMS分析平台进行5至6次简单呼气。在正负离子模式(每种模式5,6次呼气)下采集呼吸代谢组学指纹。在呼气测试前不久，抽取血液评估血/血清中asm的浓度。b SESI-HRMS是一种实时、无创、快速的呼吸代谢组分析方法。整个呼吸试验(即，正离子和负离子模式)通常持续每个患者10-15分钟。以2例患者的阳性TIC为例，1例接受VPA, 1例接受LEV(患者29的TIC倒置，以方便视觉检查)。c两名受试者服用VPA和LEV的平均质谱比较。插图显示了在m/z 143.1066处的时间轨迹示例(为便于视觉检查，将29号患者的质谱和时间轨迹倒置)。对于每个离子，计算每次呼气时曲线下的面积(阴影区域)，并通过呼气时间(nAUC)归一化。 Then, the nAUCs of 5, 6 exhalations were finally averaged to represent mean nAUC of the ion. d This resulted in a 75 × 3252 (measurements × mass spectral features present in at least 10% of total measurements and correlated with exhalations) data matrix (z-score is only used here to ease visual representation; actual downstream analysis was done on raw numbers). e Analysis workflow used to predict VPA serum concentration based on drug-related metabolites. f The workflow used to predict side effects and drug-response scores based on drug-regulated metabolites. See Methods for more detail about panels e and f. Colour key for heatmaps is shown in-between panels e and f. Credit: DOI: 10.1038/s43856-021-00021-3
