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 organization: | Doctoral Programme in Chemistry and Molecular Sciences Department of Chemistry Department of Oral and Maxillofacial Diseases INAR Analytical Chemistry HUS Abdominal Center Doctoral Programme in Population Health Doctoral Programme in Clinical Research Doctoral Programme in Biomedicine Diabetes and Obesity Research Program Research Programs Unit Department of Medicine Per Henrik Groop / Principal Investigator Clinicum Doctoral Programme in Materials Research and Nanosciences Molecular Science |
Date: | 2021-08-19 |
Language: | eng |
Number of pages: | 12 |
Belongs to series: | Scientific Reports |
ISSN: | 2045-2322 |
DOI: | https://doi.org/10.1038/s41598-021-96287-7 |
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 |
Peer reviewed: | Yes |
Rights: | cc_by |
Usage restriction: | openAccess |
Self-archived version: | publishedVersion |
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