{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,29]],"date-time":"2026-10-29T17:42:23Z","timestamp":1793295743100,"version":"4.5.0"},"reference-count":37,"publisher":"IOP Publishing","issue":"3","license":[{"start":{"date-parts":[[2024,4,16]],"date-time":"2024-04-16T00:00:00Z","timestamp":1713225600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2024,4,16]],"date-time":"2024-04-16T00:00:00Z","timestamp":1713225600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["J. Breath Res."],"published-print":{"date-parts":[[2024,7,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>We explored appropriate technical setups for the detection of volatile organic compounds (VOCs) from exhaled cow breath by comparing six different polymer-based solid-phase extraction (SPE) cartridges currently on the market for gas chromatography\/mass spectrometry (GC-MS) screening. Exhaled breath was sampled at a single timepoint from five lactating dairy cows using six different SPE cartridges (Bond Elut ENV (ENV); Chromabond HRX (HRX); Chromabond HRP (HRP); Chromabond HLB (HLB); Chromabond HR-XCW (XCW) and Chromabond HR-XAW (XAW)). The trapped VOCs were analyzed by dynamic headspace vacuum in-tube extraction GC-MS (DHS-V-ITEX-GC-MS). Depending on the SPE cartridge, we detected 1174\u20131312 VOCs per cartridge. Most VOCs were alkenes, alkanes, esters, ketones, alcohols, aldehydes, amines, nitriles, ethers, amides, carboxylic acids, alkynes, azoles, terpenes, pyridines, or sulfur-containing compounds. The six SPE cartridges differed in their specificity for the chemical compounds, with the XAW cartridge showing the best specificity for ketones. The greatest differences between the tested SPE cartridges appeared in the detection of specific VOCs. In total, 176 different VOCs were detected with a match factor &gt;80%. The greatest number of specific VOCs was captured by XAW (149), followed by ENV (118), HLB (117), HRP (115), HRX (114), and XCW (114). We conclude that the tested SPE cartridges are suitable for VOC sampling from exhaled cow breath, but the SPE cartridge choice enormously affects the detected chemical groups and the number of detected VOCs. Therefore, an appropriate SPE adsorbent cartridge should be selected according to our proposed inclusion criteria. For targeted metabolomics approaches, the SPE cartridge choice depends on the VOCs or chemical compound groups of interest based on our provided VOC list. For untargeted approaches without information on the animals\u2019 metabolic condition, we suggest using multi-sorbent SPE cartridges or multiple cartridges per animal.<\/jats:p>","DOI":"10.1088\/1752-7163\/ad38d5","type":"journal-article","created":{"date-parts":[[2024,3,28]],"date-time":"2024-03-28T22:23:15Z","timestamp":1711664595000},"page":"036001","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":9,"title":["Optimization of volatile organic compounds sampling from dairy cow exhaled breath using polymer-based solid-phase extraction cartridges for gas chromatographic analysis"],"prefix":"10.1088","volume":"18","author":[{"given":"Julia","family":"Eichinger","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anna-Maria","family":"Reiche","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Frigga","family":"Dohme-Meier","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1013-5657","authenticated-orcid":true,"given":"Pascal","family":"Fuchsmann","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2024,4,16]]},"reference":[{"key":"jbrad38d5bib1","doi-asserted-by":"publisher","DOI":"10.1088\/1752-7155\/8\/3\/034001","article-title":"The human volatilome: volatile organic compounds (VOCs) in exhaled breath, skin emanations, urine, feces and saliva","volume":"8","author":"Amann","year":"2014","journal-title":"J. Breath Res."},{"key":"jbrad38d5bib2","doi-asserted-by":"publisher","first-page":"310","DOI":"10.1039\/b008746g","article-title":"Development of an analytical technique and stability evaluation of 143 C3-C12 volatile organic compounds in Summa canisters by gas chromatography-mass spectrometry","volume":"126","author":"Sin","year":"2001","journal-title":"Analyst"},{"key":"jbrad38d5bib3","first-page":"444","article-title":"Animal science meets agricultural practice: preliminary results of an innovative technical approach for exhaled breath analysis in cattle under field conditions","volume":"131","author":"K\u00fcntzel","year":"2018","journal-title":"Berliner Munchener Tierarztliche Wochenschrift"},{"key":"jbrad38d5bib4","doi-asserted-by":"publisher","first-page":"5823","DOI":"10.3390\/molecules25245823","article-title":"Breath analysis: comparison among methodological approaches for breath sampling","volume":"25","author":"Di Gilio","year":"2020","journal-title":"Molecules"},{"key":"jbrad38d5bib5","article-title":"The peppermint breath test: a benchmarking protocol for breath sampling and analysis using GC-MS","volume":"15","author":"Wilkinson","year":"2020","journal-title":"J. Breath Res."},{"key":"jbrad38d5bib6","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2023.1154536","article-title":"Online breath analysis with SESI\/HRMS for metabolic signatures in children with allergic asthma","volume":"10","author":"Weber","year":"2023","journal-title":"Front. Mol. Biosci."},{"key":"jbrad38d5bib7","doi-asserted-by":"publisher","first-page":"236","DOI":"10.1002\/mas.20303","article-title":"Progress in SIFT-MS: breath analysis and other applications","volume":"30","author":"Span\u011bl","year":"2011","journal-title":"Mass Spectrom. Rev."},{"key":"jbrad38d5bib8","article-title":"Sampling bags for offline breath analysis using secondary electrospray ionization (SESI) mass spectrometry","author":"Fido","year":"2023"},{"key":"jbrad38d5bib9","doi-asserted-by":"publisher","DOI":"10.1016\/j.talanta.2022.124110","article-title":"Chemical characterization of odorous emissions: a comparative performance study of different sampling methods","volume":"253","author":"Polvara","year":"2023","journal-title":"Talanta"},{"key":"jbrad38d5bib10","doi-asserted-by":"publisher","first-page":"2099","DOI":"10.3168\/jds.2023-24124","article-title":"Exhalomics as a non-invasive method for assessing rumen fermentation in dairy cows: can exhaled breath metabolomics replace rumen sampling?","volume":"107","author":"Islam","year":"2023","journal-title":"J. Dairy Sci."},{"key":"jbrad38d5bib11","doi-asserted-by":"publisher","first-page":"6849","DOI":"10.3168\/jds.2023-23301","article-title":"Exhaled volatile fatty acids, ruminal methane emission, and their diurnal patterns in lactating dairy cows","volume":"106","author":"Islam","year":"2023","journal-title":"J. Dairy Sci."},{"key":"jbrad38d5bib12","first-page":"31","author":"Zarra","year":"2012"},{"key":"jbrad38d5bib13","doi-asserted-by":"publisher","DOI":"10.1155\/2015\/981458","article-title":"Current challenges in volatile organic compounds analysis as potential biomarkers of cancer","volume":"2015","author":"Schmidt","year":"2015","journal-title":"J. Biomark"},{"key":"jbrad38d5bib14","doi-asserted-by":"publisher","DOI":"10.1088\/1752-7163\/ab7e17","article-title":"Effects of high relative humidity and dry purging on VOCs obtained during breath sampling on common sorbent tubes","volume":"14","author":"Wilkinson","year":"2020","journal-title":"J. Breath Res."},{"key":"jbrad38d5bib15","doi-asserted-by":"publisher","first-page":"157","DOI":"10.3303\/CET1440027","article-title":"Comparison of odorant losses at the Ppb-level from sampling bags of Nalophan and Tedlar and from adsorption tubes","volume":"40","author":"Boeker","year":"2014","journal-title":"Chem. Eng. Trans."},{"key":"jbrad38d5bib16","doi-asserted-by":"publisher","first-page":"231","DOI":"10.1016\/0957-1272(91)90058-M","article-title":"Comparison of Tenax Ta and Carbotrap for sampling and analysis of volatile organic compounds in air","volume":"25","author":"Rothweiler","year":"1991","journal-title":"Atmos. Environ. B"},{"key":"jbrad38d5bib17","article-title":"Modern polymeric SPE phases","author":"Machery-Nagel","year":"2019"},{"key":"jbrad38d5bib18","doi-asserted-by":"publisher","first-page":"20","DOI":"10.1080\/10473289.1997.10464411","article-title":"Monitoring VOCs in air using sorbent tubes followed by thermal desorption-capillary GC analysis: summary of data and practical guidelines","volume":"47","author":"Woolfenden","year":"1997","journal-title":"J. Air Waste Manage. Assoc."},{"key":"jbrad38d5bib19","first-page":"1074","article-title":"The role of polymers in solid-phase extraction and sample preparation","volume":"26","author":"Majors","year":"2008","journal-title":"Lc Gc North Am."},{"key":"jbrad38d5bib20","article-title":"Three types of SPE cartridges: silica gel, high polymer, and inorganic material","author":"Hawach-Scientific","year":"2023"},{"key":"jbrad38d5bib21","first-page":"37","author":"Stone","year":"2017"},{"key":"jbrad38d5bib22","doi-asserted-by":"publisher","first-page":"2249","DOI":"10.4155\/bio.12.204","article-title":"The importance of experimental design and QC samples in large-scale and MS-driven untargeted metabolomic studies of humans","volume":"4","author":"Dunn","year":"2012","journal-title":"Bioanalysis"},{"key":"jbrad38d5bib23","doi-asserted-by":"publisher","first-page":"60","DOI":"10.1016\/j.chroma.2019.05.016","article-title":"Development and performance evaluation of a novel dynamic headspace vacuum transfer \u201cin trap\u201d extraction method for volatile compounds and comparison with headspace solid-phase microextraction and headspace in-tube extraction","volume":"1601","author":"Fuchsmann","year":"2019","journal-title":"J. Chromatogr. A"},{"key":"jbrad38d5bib24","doi-asserted-by":"publisher","first-page":"4019","DOI":"10.1021\/acs.jproteome.0c00324","article-title":"Nutrivolatilomics of urinary and plasma samples to identify candidate biomarkers after cheese, milk, and soy-based drink intake in healthy humans","volume":"19","author":"Fuchsmann","year":"2020","journal-title":"J. Proteome Res."},{"key":"jbrad38d5bib25","doi-asserted-by":"publisher","first-page":"W652","DOI":"10.1093\/nar\/gkp356","article-title":"MetaboAnalyst: a web server for metabolomic data analysis and interpretation","volume":"37","author":"Xia","year":"2009","journal-title":"Nucleic Acids Res."},{"key":"jbrad38d5bib26","doi-asserted-by":"publisher","first-page":"211","DOI":"10.1007\/s11306-007-0082-2","article-title":"Proposed minimum reporting standards for chemical analysis chemical analysis working group (CAWG) metabolomics standards initiative (MSI)","volume":"3","author":"Sumner","year":"2007","journal-title":"Metabolomics"},{"key":"jbrad38d5bib27","doi-asserted-by":"publisher","first-page":"64","DOI":"10.1016\/j.cbpa.2017.01.001","article-title":"How close are we to complete annotation of metabolomes?","volume":"36","author":"Viant","year":"2017","journal-title":"Curr. Opin. Chem. Biol."},{"key":"jbrad38d5bib28","doi-asserted-by":"publisher","first-page":"279","DOI":"10.1016\/0021-9673(95)00790-3","article-title":"Retention index calculation using Kov\u00e1ts constant model for linear temperature-programmed gas chromatography","volume":"721","author":"Girard","year":"1996","journal-title":"J. Chromatogr. A"},{"key":"jbrad38d5bib29","doi-asserted-by":"publisher","first-page":"296","DOI":"10.1093\/chromsci\/bmac064","article-title":"Comparison of reversed-phase and mixed-mode SPE for enrichment and clean-up of surrogate peptides in CysC quantified by LC-MS\/MS","volume":"61","author":"Tang","year":"2023","journal-title":"J. Chromatogr. Sci."},{"key":"jbrad38d5bib30","doi-asserted-by":"publisher","DOI":"10.1016\/j.reactfunctpolym.2021.104888","article-title":"Absorption properties of monolithic poly (divinylbenzene-co-N-vinylpyrrolidone) over a wide range of monomer ratios","volume":"163","author":"Karki","year":"2021","journal-title":"React. Funct. Polym."},{"key":"jbrad38d5bib31","doi-asserted-by":"publisher","first-page":"123","DOI":"10.3168\/jds.S0022-0302(49)92019-6","article-title":"Some physical and chemical properties of bovine saliva which may affect rumen digestion and synthesis1","volume":"32","author":"Reid","year":"1949","journal-title":"J. Dairy Sci."},{"key":"jbrad38d5bib32","first-page":"380","author":"Jackman","year":"1969","edition":"2nd edn"},{"key":"jbrad38d5bib33","doi-asserted-by":"publisher","first-page":"33","DOI":"10.4148\/2378-5977.2945","article-title":"Effects of temperature and humidity on cow respiration rates in three Kansas and two Nebraska freestall barns","author":"Harner","year":"1999","journal-title":"Kansas Agr. Exp. Station Res. Rep."},{"key":"jbrad38d5bib34","doi-asserted-by":"publisher","first-page":"760","DOI":"10.1126\/science.aaq0524","article-title":"Volatile chemical products emerging as largest petrochemical source of urban organic emissions","volume":"359","author":"McDonald","year":"2018","journal-title":"Science"},{"key":"jbrad38d5bib35","doi-asserted-by":"publisher","DOI":"10.1088\/1752-7163\/aa83bb","article-title":"Strategies for the identification of disease-related patterns of volatile organic compounds: prediction of paratuberculosis in an animal model using random forests","volume":"11","author":"Kasbohm","year":"2017","journal-title":"J. Breath Res."},{"key":"jbrad38d5bib36","doi-asserted-by":"publisher","first-page":"348","DOI":"10.1093\/annhyg\/mev078","article-title":"Comparison between thermal desorption tubes and stainless steel canisters used for measuring volatile organic compounds in petrochemical factories","volume":"60","author":"Chang","year":"2016","journal-title":"Ann. Occup. Hyg."},{"key":"jbrad38d5bib37","first-page":"124","article-title":"Sampling of gases by cryogenic condensation. Happening in the very near future","volume":"41","author":"Gal\u00e1n","year":"2009","journal-title":"Ing. Quim."}],"container-title":["Journal of Breath Research"],"original-title":[],"link":[{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/ad38d5","content-type":"text\/html","content-version":"am","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/ad38d5\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/ad38d5","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/ad38d5\/pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/ad38d5\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"syndication"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/ad38d5\/pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/ad38d5\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"similarity-checking"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/ad38d5\/pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,4,16]],"date-time":"2024-04-16T15:28:13Z","timestamp":1713281293000},"score":1,"resource":{"primary":{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1752-7163\/ad38d5"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,4,16]]},"references-count":37,"journal-issue":{"issue":"3","published-online":{"date-parts":[[2024,4,16]]},"published-print":{"date-parts":[[2024,7,1]]}},"URL":"https:\/\/doi.org\/10.1088\/1752-7163\/ad38d5","relation":{},"ISSN":["1752-7155","1752-7163"],"issn-type":[{"value":"1752-7155","type":"print"},{"value":"1752-7163","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,4,16]]},"assertion":[{"value":"Optimization of volatile organic compounds sampling from dairy cow exhaled breath using polymer-based solid-phase extraction cartridges for gas chromatographic analysis","name":"article_title","label":"Article Title"},{"value":"Journal of Breath Research","name":"journal_title","label":"Journal Title"},{"value":"paper","name":"article_type","label":"Article Type"},{"value":"\u00a9 2024 The Author(s). Published by IOP Publishing Ltd","name":"copyright_information","label":"Copyright Information"},{"value":"2023-12-17","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2024-03-28","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2024-04-16","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}