Identifying volatile in vitro biomarkers for oral bacteria with proton-transfer-reaction mass spectrometry and gas chromatography-mass spectrometry.

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Roslund , K E , Lehto , M , Pussinen , P , Hartonen , K , Groop , P-H , Halonen , L & Metsälä , M 2021 , ' Identifying volatile in vitro biomarkers for oral bacteria with proton-transfer-reaction mass spectrometry and gas chromatography-mass spectrometry. ' , Scientific Reports , vol. 11 , no. 1 , 16897 . https://doi.org/10.1038/s41598-021-96287-7

Title: Identifying volatile in vitro biomarkers for oral bacteria with proton-transfer-reaction mass spectrometry and gas chromatography-mass spectrometry.
Author: Roslund, Kajsa Emilia; Lehto, Markku; Pussinen, Pirkko; Hartonen, Kari; Groop, Per-Henrik; Halonen, Lauri; Metsälä, Markus
Contributor: University of Helsinki, Doctoral Programme in Chemistry and Molecular Sciences
University of Helsinki, Department of Oral and Maxillofacial Diseases
University of Helsinki, INAR Analytical Chemistry
University of Helsinki, HUS Abdominal Center
University of Helsinki, Doctoral Programme in Materials Research and Nanosciences
University of Helsinki, Department of Chemistry
Date: 2021-08-19
Language: eng
Number of pages: 12
Belongs to series: Scientific Reports
ISSN: 2045-2322
URI: http://hdl.handle.net/10138/334394
Abstract: We have measured the volatile fingerprints of four pathogenic oral bacteria connected to periodontal disease and dental abscess: Porphyromonas gingivalis (three separate strains), Prevotella intermedia, Prevotella nigrescens and Tannerella forsythia. Volatile fingerprints were measured in vitro from the headspace gas of the bacteria cultured on agar. Concrete identification of new and previously reported bacterial volatiles were performed by a combination of solid phase microextraction (SPME) and offline gas chromatography-mass spectrometry (GC-MS). We also studied the effect of the reduced electric field strength (E/N) on the fragmentation patterns of bacterial volatiles in online proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS). We aimed to discover possible new biomarkers for the studied oral bacteria, as well as to validate the combination of GC-MS and PTR-MS for volatile analysis. Some of the most promising compounds produced include: 1-Methyl-1,2,3,4-tetrahydroisoquinoline (1MeTIQ), indole, and a cascade of sulphur compounds, such as methanethiol, dimethyl disulphide (DMDS) and dimethyl trisulphide (DMTS). We also found that several compounds, especially alcohols, aldehydes and esters, fragment significantly with the PTR-MS method, when high E/N values are used. We conclude that the studied oral bacteria can be separated by their volatile fingerprints in vitro, which could have importance in clinical and laboratory environments. In addition, using softer ionization conditions can improve the performance of the PTR-MS method in the volatile analysis of certain compounds.
Subject: 116 Chemical sciences
TRANSFER-REACTION-TIME
PTR-TOF-MS
FRAGMENTATION PATTERNS
ORGANIC-COMPOUNDS
IDENTIFICATION
SPECIFICITY
SENSITIVITY
AIR
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