基于气相色谱质谱研究肺癌呼气特征性挥发有机化合物

Application of Gas Chromatography-Mass Spectrometry(GC-MS)on Characteristic Breath Volatile Organic Compounds of Lung Cancer

对肺癌患者呼出气体中挥发性有机化合物(VOCs)进行定性定量检测,研究肺癌患者呼气VOCs浓度变化,筛查肺癌特异性呼气VOCs。应用气相色谱质谱联用仪(GC-MS)检测360例受试者的呼气VOCs样品,包括134名健康志愿者、176名肺癌患者和50名乳腺癌患者。每个受试者采集3个平行样以及1个室内环境样。对检测到的挥发性有机物(VOCs)进行定量分析,联合使用Mann-Whitney U检验和正交偏最小二乘判别分析(OPLS-DA)模型筛选出8种肺癌患者呼气特征性VOCs,包括顺式-2-丁烯、苯、1,2-二氯丙烷、三氯乙烯、4-甲基-2-戊酮、3-甲基戊烷、正辛烷和萘。模型诊断的准确度、精准度、灵敏度和特异性分别为95.41%、95.15%、93.99%和96.67%,F1分数为94.51%,诊断性能好。综上,以上8种VOCs可作为肺癌患者的呼气特征性VOCs,为肺癌的早期呼气诊断提供新的数据支撑和方法。

The volatile organic compounds(VOCs)in the exhaled breath of lung cancer patients were analyzed,and the concentration changes of sampled VOCs were evaluated.Finally,the characteristic VOCs of lung cancer were screened out.A total of 360 subjects were analyzed using gas chromatography-mass spectrometry(GC-MS),including 134 healthy individuals,176 lung cancer patients and 50 breast cancer patients.Three parallel samples and one indoor air sample were collected for each subject.Volatile organic compounds(VOCs)were quantitatively analyzed.Furthermore,8 potential characteristic VOCs for lung cancer patients were screen out by using orthogonal partial least-squares discrimination analysis(OPLS-DA)model combined with Mann-Whitney test,including cis-2-butene,benzene,1,2-dichloropropane,trichloroethylene,4-methyl-2-pentanone,3-methylheptane,n-octane and naphthalene.In addition,the diagnostic accuracy,precision,sensitivity and specificity were 95.41%,95.15%,93.99%,and 96.67%,respectively,while the F1 ratio was 94.51%.In conclusion,these 8 VOCs can be taken as characteristic breath VOCs of lung cancer patients,providing new ideas and methods for early respiratory diagnosis of lung cancer.