title: Pure-rotational spectrometry: a vintage analytical method applied to modern breath analysis.
abstract: Pure-rotational spectrometry (PRS) is an established method, typically used to study structures and properties of polar gas-phase molecules, including isotopic and isomeric varieties. PRS has also been used as an analytical tool where it is particularly well suited for detecting or monitoring low-molecular-weight species that are found in exhaled breath. PRS is principally notable for its ultra-high spectral resolution which leads to exceptional specificity to identify molecular compounds in complex mixtures. Recent developments using carbon aerogel for pre-concentrating polar molecules from air samples have extended the sensitivity of PRS into the part-per-billion range. In this paper we describe the principles of PRS and show how it may be configured in several different modes for breath analysis. We discuss the pre-concentration concept and demonstrate its use with the PRS analyzer for alcohols and ammonia sampled directly from the breath.
authors.affiliation: Ocellus, Inc., 450 Lindbergh Ave., Livermore, CA 94550, USA. lhrubesh@ocellusinc.com
authors.forename: Lawrence W
authors.initials: LW
authors.lastname: Hrubesh
authors.forename: Michael W
authors.initials: MW
authors.lastname: Droege
mesh_terms: D001944:Breath Tests / Q000379:methods*; D045853:Exhalation; D005740:Gases / Q000032:analysis*; D006801:Humans; D008962:Models, Theoretical; D013057:Spectrum Analysis / Q000379:methods*
chemical_list: D005740:Gases