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基于气相色谱-质谱联用和随机森林模型探索代谢综合征血清谱。

Exploring metabolic syndrome serum profiling based on gas chromatography mass spectrometry and random forest models.

作者信息

Lin Zhang, Vicente Gonçalves Carlos M, Dai Ling, Lu Hong-mei, Huang Jian-hua, Ji Hongchao, Wang Dong-sheng, Yi Lun-zhao, Liang Yi-zeng

机构信息

College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, PR China.

College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, PR China; Universidad de Cádiz, Faculdad de Ciencias, Departamento de Química Analítica, España.

出版信息

Anal Chim Acta. 2014 May 27;827:22-7. doi: 10.1016/j.aca.2014.04.008. Epub 2014 Apr 8.

Abstract

Metabolic syndrome (MetS) is a constellation of the most dangerous heart attack risk factors: diabetes and raised fasting plasma glucose, abdominal obesity, high cholesterol and high blood pressure. Analysis and representation of the variances of metabolic profiles is urgently needed for early diagnosis and treatment of MetS. In current study, we proposed a metabolomics approach for analyzing MetS based on GC-MS profiling and random forest models. The serum samples from healthy controls and MetS patients were characterized by GC-MS. Then, random forest (RF) models were used to visually discriminate the serum changes in MetS based on these GC-MS profiles. Simultaneously, some informative metabolites or potential biomarkers were successfully discovered by means of variable importance ranking in random forest models. The metabolites such as 2-hydroxybutyric acid, inositol and d-glucose, were defined as potential biomarkers to diagnose the MetS. These results obtained by proposed method showed that the combining GC-MS profiling with random forest models was a useful approach to analyze metabolites variances and further screen the potential biomarkers for MetS diagnosis.

摘要

代谢综合征(MetS)是一组最危险的心脏病发作风险因素:糖尿病和空腹血糖升高、腹型肥胖、高胆固醇和高血压。对于代谢综合征的早期诊断和治疗,迫切需要对代谢谱的差异进行分析和呈现。在本研究中,我们提出了一种基于气相色谱 - 质谱(GC-MS)分析和随机森林模型来分析代谢综合征的代谢组学方法。通过GC-MS对健康对照者和代谢综合征患者的血清样本进行表征。然后,基于这些GC-MS谱图,使用随机森林(RF)模型直观地区分代谢综合征患者血清的变化。同时,通过随机森林模型中的变量重要性排序成功发现了一些信息性代谢物或潜在生物标志物。诸如2-羟基丁酸、肌醇和d-葡萄糖等代谢物被定义为诊断代谢综合征的潜在生物标志物。通过所提出的方法获得的这些结果表明,将GC-MS分析与随机森林模型相结合是分析代谢物差异并进一步筛选代谢综合征诊断潜在生物标志物的有用方法。

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