化学
代谢组
代谢组学
质谱法
前交叉韧带损伤
方差分析
生物标志物发现
色谱法
分析化学(期刊)
前交叉韧带
统计
数学
生物化学
外科
蛋白质组学
医学
基因
作者
Sarah E. Prebihalo,Grant S. Ochoa,Kelsey L. Berrier,Kristen J. Skogerboe,Kenneth L. Cameron,Jesse R. Trump,Steven J. Svoboda,J. Kenneth Wickiser,Robert E. Synovec
出处
期刊:Analytical Chemistry
[American Chemical Society]
日期:2020-11-10
卷期号:92 (23): 15526-15533
被引量:21
标识
DOI:10.1021/acs.analchem.0c03456
摘要
An innovative form of Fisher ratio (F-ratio) analysis (FRA) is developed for use with comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry (GC × GC–TOFMS) data and applied to the investigation of the changes in the metabolome in human plasma for patients with injury to their anterior cruciate ligament (ACL). Specifically, FRA provides a supervised discovery of metabolites that express a statistically significant variance in a two-sample class comparison: patients and healthy controls. The standard F-ratio utilizes the between-class variance relative to the pooled within-class variance. Because standard FRA is adversely impacted by metabolites expressed with a large within-class variance in the patient class, "control-normalized FRA" has been developed to provide complementary information, by normalizing the between-class variance to the variance of the control class only. Thirty plasma samples from patients who recently suffered from an ACL injury, along with matched controls, were subjected to GC × GC–TOFMS analysis. Following both standard and control-normalized FRA, the concentration ratio for the top 30 "hits" in each comparison was obtained and then t-tested for statistical significance. Twenty four out of 30 metabolites plus the therapeutic agent, naproxen (24/30), passed the t-test for the control-normalized FRA, which included 8/24 unique to control-normalized FRA and 16/24 in common with the standard FRA. Likewise, standard FRA provided 21/30 metabolites passing the t-test, with 5/21 undiscovered by control-normalized FRA. The complementary information obtained by both F-ratio analyses demonstrates the general utility of the new approach for a variety of applications.
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