Detection of trace volatile organic compounds in spiked breath samples: a leap towards breathomics

Abstract

Breathomics is the future of non-invasive point-of-care devices. The field of breathomics can be split into the isolation of disease-specific volatile organic compounds (VOCs) and their detection. In the present work, an array of five quartz tuning fork (QTF)-based sensors modified by polymer with nanomaterial additive has been utilized. The array has been used to detect samples of human breath spiked with ∼0.5 ppm of known VOCs namely, acetone, acetaldehyde, octane, decane, ethanol, methanol, styrene, propylbenzene, cyclohexanone, butanediol, and isopropyl alcohol which are bio-markers for certain diseases. Polystyrene was used as the base polymer and it was functionalized with 4 different fillers namely, silver nanoparticles-reduced graphene oxide composite, titanium dioxide nanoparticles, zinc ferrite nanoparticles-reduced graphene oxide composite, and cellulose acetate. Each of these fillers enhanced the selectivity of a particular sensor towards a certain VOC compared to the pristine polystyrene-modified sensor. Their interaction with the VOCs in changing the mechanical properties of polymer giving rise to change in the resonant frequency of QTF is used as sensor response for detection. The interaction of functionalized polymers with VOCs was analyzed by FTIR and UV–vis spectroscopy. The collective sensor response of five sensors is used to identify VOCs using an ensemble classifier with 92.8% accuracy of prediction. The accuracy of prediction improved to 96% when isopropyl alcohol, ethanol, and methanol were considered as one class.