{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T12:56:17Z","timestamp":1788872177066,"version":"build-2803163510"},"reference-count":47,"publisher":"MDPI AG","issue":"16","license":[{"start":{"date-parts":[[2019,8,16]],"date-time":"2019-08-16T00:00:00Z","timestamp":1565913600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004281","name":"Narodowe Centrum Nauki","doi-asserted-by":"publisher","award":["Preludium grant No. 2014\/15\/N\/ST4\/03702"],"award-info":[{"award-number":["Preludium grant No. 2014\/15\/N\/ST4\/03702"]}],"id":[{"id":"10.13039\/501100004281","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Halitosis and submandibular abscesses are examples of mouth-related diseases with the possible bacterial origin. Salivary volatile organic compounds (VOCs) are potential biomarkers of them, once they can be addressed as metabolites of bacterial activity. Healthy patients (n = 15), subjects with submandibular abscesses located in fascial deep space (n = 10), and subjects with halitosis (n = 5) were enrolled in the study. Saliva samples were subjected to headspace solid-phase microextraction (HS-SPME) and gas chromatography coupled to mass spectrometry (GC\/MS) analysis. A total number of 164 VOCs was detected by the developed methodology, 23 specific for halitosis and 41 for abscess. Halitosis\u2019 profiles were characterized by a larger number of sulfur compounds, while for abscess they had a higher variety of alcohols, aldehydes, and hydrocarbons\u2014biomarkers of inflammatory processes. Principal components analysis allowed visualization of clusters formed according to the evaluated conditions. Kruskal-Wallis test indicated that 39 VOCs presented differentiated responses between the studied groups, with statistical relevance (p &lt; 0.05). Random forest was applied, and a prediction model based on eight VOCs (2-butanone, methyl thioacetate, 2-methylbutanoic acid, S-methyl pentanethioate, dimethyl tetrasulfide, indolizine, pentadecane, and octadecanal) provided 100% of sensitivity, 82% of specificity, and 91% of balanced accuracy, indicating the specific presence of submandibular abscess.<\/jats:p>","DOI":"10.3390\/molecules24162977","type":"journal-article","created":{"date-parts":[[2019,8,19]],"date-time":"2019-08-19T06:10:14Z","timestamp":1566195014000},"page":"2977","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":50,"title":["VOC Profiles of Saliva in Assessment of Halitosis and Submandibular Abscesses Using HS-SPME-GC\/MS Technique"],"prefix":"10.3390","volume":"24","author":[{"given":"Fernanda","family":"Monedeiro","sequence":"first","affiliation":[{"name":"Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarina Str., 87-100 Toru\u0144, Poland"},{"name":"Interdisciplinary Centre of Modern Technologies, Nicolaus Copernicus University, 4 Wile\u0144ska Str., 87-100 Toru\u0144, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3713-4099","authenticated-orcid":false,"given":"Maciej","family":"Milanowski","sequence":"additional","affiliation":[{"name":"Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarina Str., 87-100 Toru\u0144, Poland"},{"name":"Interdisciplinary Centre of Modern Technologies, Nicolaus Copernicus University, 4 Wile\u0144ska Str., 87-100 Toru\u0144, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2615-684X","authenticated-orcid":false,"given":"Ileana-Andreea","family":"Ratiu","sequence":"additional","affiliation":[{"name":"Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarina Str., 87-100 Toru\u0144, Poland"},{"name":"Interdisciplinary Centre of Modern Technologies, Nicolaus Copernicus University, 4 Wile\u0144ska Str., 87-100 Toru\u0144, Poland"},{"name":"Faculty of Chemistry and Chemical Engineering, Babe\u015f-Bolyai University, 11 Arany Janos, RO-400028 Cluj-Napoca, Romania"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hubert","family":"Zmys\u0142owski","sequence":"additional","affiliation":[{"name":"Clinical Department of Maxillofacial Surgery in Regional Dental Centre, Located in Provincial Polyclinical Hospital in Toru\u0144, 42 Konstytucji 3 Maja, 87-100 Toru\u0144, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tomasz","family":"Ligor","sequence":"additional","affiliation":[{"name":"Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarina Str., 87-100 Toru\u0144, Poland"},{"name":"Interdisciplinary Centre of Modern Technologies, Nicolaus Copernicus University, 4 Wile\u0144ska Str., 87-100 Toru\u0144, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bogus\u0142aw","family":"Buszewski","sequence":"additional","affiliation":[{"name":"Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarina Str., 87-100 Toru\u0144, Poland"},{"name":"Interdisciplinary Centre of Modern Technologies, Nicolaus Copernicus University, 4 Wile\u0144ska Str., 87-100 Toru\u0144, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2019,8,16]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1590\/S1806-83242008000500007","article-title":"Halitosis: A review of associated factors and therapeutic approach","volume":"22","author":"Cortelli","year":"2008","journal-title":"Braz. 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