Investigation of Gender-Specific Exhaled Breath Volatome in Humans by GCxGC-TOF-MS

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• 作者：Mrinal Kumar Das ; Subasa Chandra Bishwal ; Aleena Das ; Deepti Dabral ; Ankur Varshney ; Vinod Kumar Badireddy ; Ranjan Nanda
• 刊名：Analytical Chemistry
• 出版年：2014
• 出版时间：January 21, 2014
• 年：2014
• 卷：86
• 期：2
• 页码：1229-1237
• 全文大小：362K
• ISSN：1520-6882

文摘

Exploring gender-specific metabolic differences in biofluids provides a basic understanding of the physiological and metabolic phenotype of healthy subjects. Many reports have shown gender-specific metabolome profiles in the urine and serum of healthy subjects; however, limited studies focusing on exhaled human breath are available in the literature. In this study, we profiled the exhaled breath (450 mL) volatile organic compounds (VOCs) of 47 healthy volunteers (age: 19鈥?7; 23 male (M) and 24 female (F)) using a multidimensional gas chromatography and mass spectrometry and employed chemometric analysis to identify gender-specific VOCs. Eleven exhaled breath VOCs were identified from both uni and multivariate analysis from a training set (M = 15, F = 15) that could differentiate the genders within a healthy population. A partial least-squares discriminate analysis (PLS-DA) model built using these putative markers showed high accuracy in predicting (area under the receiver operating characteristic curve >0.9) a hold out/test sample set (n = 17). The outcomes of this report open up new avenues to undertake larger studies to elucidate the association of exhaled breath metabolites with gender-specific disease phenotypes and pharmacokinetics in the future.