in "The 1st International Workshop on Innovative Simulation for Health Care", W. Backfrieder et al. (eds), 139-144, DIME University of Genova, 2012.

Volatile organic compounds in exhaled breath: real-time measurements, modeling, and bio-monitoring applications

Julian King, Karl Unterkofler, Susanne Teschl, Anton Amann, and Gerald Teschl

The present paper reviews some paradigmatic applications of modeling and simulation in the context of exhaled breath analysis, which has emerged as a promising tool for collecting non-invasive and continuous information on the metabolic and physiological state of an individual. In particular, it is illustrated how real-time breath profiles of volatile organic compounds (as obtained, e.g., by PTR-(TOF)-MS) can be used to extract in vivo estimates of endogenous quantities that are difficult to access by conventional analytical approaches based on blood, urine, or tissue. Typical examples include the determination of production and metabolism rates, as well as tracking the tissue accumulation of exogenously administered trace gases (e.g., volatile anesthetics).

Keywords: exhaled breath analysis, volatile organic compounds (VOCs), physiological modeling, pulmonary gas exchange

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