Sustainability of selected ion flow tube mass spectrometry (SIFT-MS): the case of breath analysis

BACKGROUND: The growing focus on sustainability in analytical chemistry calls for systematic evaluation of environmental, practical and economic aspects of all workflows. Selected ion flow tube mass spectrometry (SIFT-MS) is a real-time technique for volatile organic compound (VOC) detection, widely applied in breath analysis. SIFT-MS is a highly versatile instrument that supports three different sampling modes: direct, bags and thermal desorption, which can be selected according to the specific application and clinical study design. RESULTS: In this work, we applied established evaluation frameworks to assess the three SIFT-MS breath sampling modes, considering different dimensions of sustainability: green, as method environmental impact, blue, as practical applicability of the method, red, as method performance, and white as overall method evaluation. Each of the three modes achieved high sustainability scores (e.g. >80/100 green assessment) across the different evaluation tools, confirming the intrinsically sustainable nature of both the SIFT-MS and breath as biological matrix. Minor differences among the sampling techniques were observed, mainly related to sample collection and automation. SIGNIFICANCE: Our aim is to provide a comprehensive assessment that enables users to make informed decisions when selecting the most appropriate technique for their specific needs in breath analysis. The study highlighted the need to adapt sustainability evaluation tools to emerging non-invasive matrices, such as breath, and reagent-free new generation instruments, like SIFT-MS. Overall, breath analysis by SIFT-MS represents a promising example of low-impact analytical techniques despite minor consumable waste (e.g. sample collection materials), that could lead in the future toward a zero-waste workflow.