title: Investigation of gender-specific exhaled breath volatome in humans by GCxGC-TOF-MS.
abstract: 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: 19-47; 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.
authors.affiliation: Immunology Group, International Centre for Genetic Engineering and Biotechnology (ICGEB), New Delhi, India.
authors.forename: Mrinal Kumar
authors.initials: MK
authors.lastname: Das
authors.forename: Subasa Chandra
authors.initials: SC
authors.lastname: Bishwal
authors.forename: Aleena
authors.initials: A
authors.lastname: Das
authors.forename: Deepti
authors.initials: D
authors.lastname: Dabral
authors.forename: Ankur
authors.initials: A
authors.lastname: Varshney
authors.forename: Vinod Kumar
authors.initials: VK
authors.lastname: Badireddy
authors.forename: Ranjan
authors.initials: R
authors.lastname: Nanda
mesh_terms: D000328:Adult; D000704:Analysis of Variance; D015415:Biomarkers / Q000032:analysis; D001944:Breath Tests; D016002:Discriminant Analysis; D045853:Exhalation / Q000502:physiology*; D005260:Female; D008401:Gas Chromatography-Mass Spectrometry; D064368:Healthy Volunteers; D006801:Humans; D016018:Least-Squares Analysis; D008297:Male; D055442:Metabolome; D008875:Middle Aged; D012372:ROC Curve; D012737:Sex Factors; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization; D055549:Volatile Organic Compounds / Q000032:analysis*
chemical_list: D015415:Biomarkers; D055549:Volatile Organic Compounds