{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,27]],"date-time":"2026-09-27T13:13:42Z","timestamp":1790514822418,"version":"4.1.0"},"reference-count":60,"publisher":"Wiley","issue":"21","license":[{"start":{"date-parts":[[2019,10,28]],"date-time":"2019-10-28T00:00:00Z","timestamp":1572220800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Rapid Comm Mass Spectrometry"],"published-print":{"date-parts":[[2019,11,15]]},"abstract":"\n Rationale<\/jats:title>\n The concentrations of aldehydes and volatile fatty acids have to be controlled because of their potential harmfulness in indoor air or relationship with the organoleptic properties of agri\u2010food products. Although several specific analytical methods are currently used, the simultaneous analysis of these compounds in a complex matrix remains a challenge. The combination of positive and negative ionization selected ion flow tube mass spectrometry (SIFT\u2010MS) allows the accurate, sensitive and high\u2010frequency analysis of complex gas mixtures of these compounds.<\/jats:p>\n <\/jats:sec>\n \n Methods<\/jats:title>\n \n The ion\u2013molecule reactions of negative precursor ions (OH\n \u2212<\/jats:sup>\n , O\n \u2022\u2212<\/jats:sup>\n , O\n 2<\/jats:sub>\n \u2022\u2212<\/jats:sup>\n , NO\n 2<\/jats:sub>\n \u2212<\/jats:sup>\n and NO\n 3<\/jats:sub>\n \u2212<\/jats:sup>\n ) with five aldehydes and four carboxylic acids were investigated in order to provide product ions and rate constants for the quantification of these compounds by negative ion SIFT\u2010MS. The results were compared with those obtained by conventional analysis methods and\/or with already implemented SIFT\u2010MS positive ionization methods. The modelling of hydroxide ion (OH\n \u2212<\/jats:sup>\n )\/molecule reaction paths by\n ab\u2010initio<\/jats:italic>\n calculation allowed a better understanding of these gas\u2010phase reactions.\n <\/jats:p>\n <\/jats:sec>\n \n Results<\/jats:title>\n \n Deprotonation systematically occurs by reaction between negative ions and aldehydes or acids, leading to the formation of [M\u2009\u2212\u2009H]\n \u2212<\/jats:sup>\n primary ions.\n Ab\u2010initio<\/jats:italic>\n calculations demonstrated the \u03b1\u2010C\uf8ffH deprotonation of aldehydes and the acidic proton abstraction for fatty acids. For aldehydes, the presence of water in the flow tube leads to the formation of hydrated ions, [M\u2009\u2212\u2009H]\n \u2212<\/jats:sup>\n .H\n 2<\/jats:sub>\n O. With the NO\n 2<\/jats:sub>\n \u2212<\/jats:sup>\n precursor ion, a second reaction channel results in ion\u2013molecule association with the formation of M.NO\n 2<\/jats:sub>\n \u2212<\/jats:sup>\n ions.\n <\/jats:p>\n <\/jats:sec>\n \n Conclusions<\/jats:title>\n \n Except for formaldehyde, all the studied compounds can be quantified by negative ion SIFT\u2010MS with significant rate constants. In addition to positive ion SIFT\u2010MS with H\n 3<\/jats:sub>\n O\n +<\/jats:sup>\n , O\n 2<\/jats:sub>\n +<\/jats:sup>\n and NO\n +<\/jats:sup>\n precursor ions, negative ionization with O\n \u2022\u2212<\/jats:sup>\n , O\n 2<\/jats:sub>\n \u2022\u2212<\/jats:sup>\n , OH\n \u2212<\/jats:sup>\n , NO\n 2<\/jats:sub>\n \u2212<\/jats:sup>\n and NO\n 3<\/jats:sub>\n \u2212<\/jats:sup>\n extends the range of analysis of aldehydes and carboxylic acids in air without a preparation or separation step. This methodology was illustrated by the simultaneous quantification in single\u2010scan experiments of seven aldehydes and six carboxylic acids released by building materials.\n <\/jats:p>\n <\/jats:sec>","DOI":"10.1002\/rcm.8504","type":"journal-article","created":{"date-parts":[[2019,6,19]],"date-time":"2019-06-19T08:54:57Z","timestamp":1560934497000},"page":"1623-1634","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":24,"title":["Direct analysis of aldehydes and carboxylic acids in the gas phase by negative ionization selected ion flow tube mass spectrometry: Quantification and modelling of ion\u2013molecule reactions"],"prefix":"10.1002","volume":"33","author":[{"given":"Myl\u00e8ne","family":"Ghislain","sequence":"first","affiliation":[{"name":"CNRS\/Univ. Pau & Pays Adour\/E2S UPPA, IPREM Institut des sciences analytiques et de Physicochimie pour l'environnement et les Mat\u00e9riaux UMR5254 H\u00e9lioparc 2 avenue Pr\u00e9sident Angot, 64053 PAU cedex 9 France"},{"name":"Intersciences Nederlands Tinstraat 16 4823 AA Breda The Netherlands"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nathalie","family":"Costarramone","sequence":"additional","affiliation":[{"name":"UT2A, 2 avenue Pr\u00e9sident Angot 64053 PAU cedex 9 France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jean\u2010Marc","family":"Sotiropoulos","sequence":"additional","affiliation":[{"name":"CNRS\/Univ. Pau & Pays Adour\/E2S UPPA, IPREM Institut des sciences analytiques et de Physicochimie pour l'environnement et les Mat\u00e9riaux UMR5254 H\u00e9lioparc 2 avenue Pr\u00e9sident Angot, 64053 PAU cedex 9 France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thierry","family":"Pigot","sequence":"additional","affiliation":[{"name":"CNRS\/Univ. Pau & Pays Adour\/E2S UPPA, IPREM Institut des sciences analytiques et de Physicochimie pour l'environnement et les Mat\u00e9riaux UMR5254 H\u00e9lioparc 2 avenue Pr\u00e9sident Angot, 64053 PAU cedex 9 France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Robin","family":"Van Den Berg","sequence":"additional","affiliation":[{"name":"Intersciences Nederlands Tinstraat 16 4823 AA Breda The Netherlands"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sylvie","family":"Lacombe","sequence":"additional","affiliation":[{"name":"CNRS\/Univ. 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