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Molecules

Title:		VOC Profiles of Saliva in Assessment of Halitosis and Submandibular Abscesses Using HS-SPME-GC/MS Technique
Author(s):		Monedeiro F; Milanowski M; Ratiu IA; Zmyslowski H; Ligor T; Buszewski B;
Address:		"Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarina Str., 87-100 Torun, Poland. Interdisciplinary Centre of Modern Technologies, Nicolaus Copernicus University, 4 Wilenska Str., 87-100 Torun, Poland. Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, 11 Arany Janos, RO-400028 Cluj-Napoca, Romania. Clinical Department of Maxillofacial Surgery in Regional Dental Centre, Located in Provincial Polyclinical Hospital in Torun, 42 Konstytucji 3 Maja, 87-100 Torun, Poland. Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarina Str., 87-100 Torun, Poland. bbusz@chem.uni.torun.pl. Interdisciplinary Centre of Modern Technologies, Nicolaus Copernicus University, 4 Wilenska Str., 87-100 Torun, Poland. bbusz@chem.uni.torun.pl"
Journal Title:		Molecules
Year:		2019
Volume:		20190816
Issue:		16
Page Number:		-
DOI:		10.3390/molecules24162977
ISSN/ISBN:		1420-3049 (Electronic) 1420-3049 (Linking)
Abstract:		"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' profiles were characterized by a larger number of sulfur compounds, while for abscess they had a higher variety of alcohols, aldehydes, and hydrocarbons-biomarkers 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 < 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"
Keywords:		"Abscess/*diagnosis/metabolism/pathology Adult Aged Alcohols/classification/*isolation & purification Aldehydes/classification/*isolation & purification Biomarkers/analysis Case-Control Studies Dentate Gyrus/metabolism/pathology Diagnosis, Differential Fem;"
Notes:		"MedlineMonedeiro, Fernanda Milanowski, Maciej Ratiu, Ileana-Andreea Zmyslowski, Hubert Ligor, Tomasz Buszewski, Boguslaw eng Preludium grant No. 2014/15/N/ST4/03702/Narodowe Centrum Nauki/ Switzerland 2019/08/21 Molecules. 2019 Aug 16; 24(16):2977. doi: 10.3390/molecules24162977"