Integration of ultra-high-pressure liquid chromatography–tandem mass spectrometry with machine learning for identifying fatty acid metabolite biomarkers of ischemic stroke

Lijian Zhang; Fei Ma; Ao Qi; Lulu Liu; Junjie Zhang; Simin Xu; Qisheng Zhong; Yusen Chen; Chun-yang Zhang; Chun Cai

doi:10.1039/D0CC02329A

Integration of ultra-high-pressure liquid chromatography–tandem mass spectrometry with machine learning for identifying fatty acid metabolite biomarkers of ischemic stroke†

Lijian Zhang,‡^a Fei Ma,‡^b Ao Qi,^a Lulu Liu,^a Junjie Zhang,^a Simin Xu,^a Qisheng Zhong,^c Yusen Chen,*^a Chun-yang Zhang

*^b and Chun Cai*^a

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* Corresponding authors

^a Analytical Center, Neurology Department of Affiliated Hospital, Institute of Neurology, Guangdong Medical University, Zhanjiang, Guangdong 524023, China
E-mail: caichun2006@tom.com, chenyusen925@163.com
Fax: +86-0759-2284104
Tel: +86-0759-2284104

^b Collaborative Innovation Center of Functionalized Probes for Chemical Imaging in Universities of Shandong, Key Laboratory of Molecular and Nano Probes, Ministry of Education, Shandong Provincial Key Laboratory of Clean Production of Fine Chemicals, College of Chemistry, Chemical Engineering and Materials Science, Shandong Normal University, Jinan 250014, China
E-mail: cyzhang@sdnu.edu.cn
Fax: +86 0531-82615258
Tel: +86 0531-82615258

^c Shimadzu Global COE for Application & Technical Development, Guangzhou, Guangdong, China

Abstract

We report for the first time the integration of ultra-high-pressure liquid chromatography–tandem mass spectrometry with machine learning for identifying fatty acid metabolite biomarkers of ischemic stroke. In particular, we develop an optimal model to discriminate ischemic stroke patients from healthy persons with 100% sensitivity and 93.18% specificity. This research may facilitate understanding the roles of fatty acid metabolites in stroke occurrence, holding great potential in clinical stroke diagnosis.

Chemical Communications

Integration of ultra-high-pressure liquid chromatography–tandem mass spectrometry with machine learning for identifying fatty acid metabolite biomarkers of ischemic stroke†

Abstract

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Integration of ultra-high-pressure liquid chromatography–tandem mass spectrometry with machine learning for identifying fatty acid metabolite biomarkers of ischemic stroke

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