Differentiation of Cystic Fibrosis-Related Pathogens by Volatile Organic Compound Analysis with Secondary Electrospray Ionization Mass Spectrometry
Identifying and differentiating bacteria based on their emitted volatile organic compounds (VOCs) opens vast opportunities for rapid diagnostics. Secondary electrospray ionization high-resolution mass spectrometry (SESI-HRMS) is an ideal technique for VOC-biomarker discovery because of its speed, se...
Guardado en:
| Autores principales: | , , , , , , , , |
|---|---|
| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
MDPI AG
2021
|
| Materias: | |
| Acceso en línea: | https://doaj.org/article/946bc846eccf47a1ab45f64c6f2c47f0 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| id |
oai:doaj.org-article:946bc846eccf47a1ab45f64c6f2c47f0 |
|---|---|
| record_format |
dspace |
| spelling |
oai:doaj.org-article:946bc846eccf47a1ab45f64c6f2c47f02021-11-25T18:20:49ZDifferentiation of Cystic Fibrosis-Related Pathogens by Volatile Organic Compound Analysis with Secondary Electrospray Ionization Mass Spectrometry10.3390/metabo111107732218-1989https://doaj.org/article/946bc846eccf47a1ab45f64c6f2c47f02021-11-01T00:00:00Zhttps://www.mdpi.com/2218-1989/11/11/773https://doaj.org/toc/2218-1989Identifying and differentiating bacteria based on their emitted volatile organic compounds (VOCs) opens vast opportunities for rapid diagnostics. Secondary electrospray ionization high-resolution mass spectrometry (SESI-HRMS) is an ideal technique for VOC-biomarker discovery because of its speed, sensitivity towards polar molecules and compound characterization possibilities. Here, an in vitro SESI-HRMS workflow to find biomarkers for cystic fibrosis (CF)-related pathogens <i>P. aeruginosa</i>, <i>S. pneumoniae</i>, <i>S. aureus</i>, <i>H. influenzae</i>, <i>E. coli</i> and <i>S. maltophilia</i> is described. From 180 headspace samples, the six pathogens are distinguishable in the first three principal components and predictive analysis with a support vector machine algorithm using leave-one-out cross-validation exhibited perfect accuracy scores for the differentiation between the groups. Additionally, 94 distinctive features were found by recursive feature elimination and further characterized by SESI-MS/MS, which yielded 33 putatively identified biomarkers. In conclusion, the six pathogens can be distinguished in vitro based on their VOC profiles as well as the herein reported putative biomarkers. In the future, these putative biomarkers might be helpful for pathogen detection in vivo based on breath samples from patients with CF.Jérôme KaeslinSrdjan MicicRonja WeberSimona MüllerNathan PerkinsChristoph BergerRenato ZenobiTobias BrudererAlexander MoellerMDPI AGarticlecystic fibrosispathogen profilessecondary electrospray ionizationhigh-resolution mass spectrometryrecursive feature eliminationputative compound identificationMicrobiologyQR1-502ENMetabolites, Vol 11, Iss 773, p 773 (2021) |
| institution |
DOAJ |
| collection |
DOAJ |
| language |
EN |
| topic |
cystic fibrosis pathogen profiles secondary electrospray ionization high-resolution mass spectrometry recursive feature elimination putative compound identification Microbiology QR1-502 |
| spellingShingle |
cystic fibrosis pathogen profiles secondary electrospray ionization high-resolution mass spectrometry recursive feature elimination putative compound identification Microbiology QR1-502 Jérôme Kaeslin Srdjan Micic Ronja Weber Simona Müller Nathan Perkins Christoph Berger Renato Zenobi Tobias Bruderer Alexander Moeller Differentiation of Cystic Fibrosis-Related Pathogens by Volatile Organic Compound Analysis with Secondary Electrospray Ionization Mass Spectrometry |
| description |
Identifying and differentiating bacteria based on their emitted volatile organic compounds (VOCs) opens vast opportunities for rapid diagnostics. Secondary electrospray ionization high-resolution mass spectrometry (SESI-HRMS) is an ideal technique for VOC-biomarker discovery because of its speed, sensitivity towards polar molecules and compound characterization possibilities. Here, an in vitro SESI-HRMS workflow to find biomarkers for cystic fibrosis (CF)-related pathogens <i>P. aeruginosa</i>, <i>S. pneumoniae</i>, <i>S. aureus</i>, <i>H. influenzae</i>, <i>E. coli</i> and <i>S. maltophilia</i> is described. From 180 headspace samples, the six pathogens are distinguishable in the first three principal components and predictive analysis with a support vector machine algorithm using leave-one-out cross-validation exhibited perfect accuracy scores for the differentiation between the groups. Additionally, 94 distinctive features were found by recursive feature elimination and further characterized by SESI-MS/MS, which yielded 33 putatively identified biomarkers. In conclusion, the six pathogens can be distinguished in vitro based on their VOC profiles as well as the herein reported putative biomarkers. In the future, these putative biomarkers might be helpful for pathogen detection in vivo based on breath samples from patients with CF. |
| format |
article |
| author |
Jérôme Kaeslin Srdjan Micic Ronja Weber Simona Müller Nathan Perkins Christoph Berger Renato Zenobi Tobias Bruderer Alexander Moeller |
| author_facet |
Jérôme Kaeslin Srdjan Micic Ronja Weber Simona Müller Nathan Perkins Christoph Berger Renato Zenobi Tobias Bruderer Alexander Moeller |
| author_sort |
Jérôme Kaeslin |
| title |
Differentiation of Cystic Fibrosis-Related Pathogens by Volatile Organic Compound Analysis with Secondary Electrospray Ionization Mass Spectrometry |
| title_short |
Differentiation of Cystic Fibrosis-Related Pathogens by Volatile Organic Compound Analysis with Secondary Electrospray Ionization Mass Spectrometry |
| title_full |
Differentiation of Cystic Fibrosis-Related Pathogens by Volatile Organic Compound Analysis with Secondary Electrospray Ionization Mass Spectrometry |
| title_fullStr |
Differentiation of Cystic Fibrosis-Related Pathogens by Volatile Organic Compound Analysis with Secondary Electrospray Ionization Mass Spectrometry |
| title_full_unstemmed |
Differentiation of Cystic Fibrosis-Related Pathogens by Volatile Organic Compound Analysis with Secondary Electrospray Ionization Mass Spectrometry |
| title_sort |
differentiation of cystic fibrosis-related pathogens by volatile organic compound analysis with secondary electrospray ionization mass spectrometry |
| publisher |
MDPI AG |
| publishDate |
2021 |
| url |
https://doaj.org/article/946bc846eccf47a1ab45f64c6f2c47f0 |
| work_keys_str_mv |
AT jeromekaeslin differentiationofcysticfibrosisrelatedpathogensbyvolatileorganiccompoundanalysiswithsecondaryelectrosprayionizationmassspectrometry AT srdjanmicic differentiationofcysticfibrosisrelatedpathogensbyvolatileorganiccompoundanalysiswithsecondaryelectrosprayionizationmassspectrometry AT ronjaweber differentiationofcysticfibrosisrelatedpathogensbyvolatileorganiccompoundanalysiswithsecondaryelectrosprayionizationmassspectrometry AT simonamuller differentiationofcysticfibrosisrelatedpathogensbyvolatileorganiccompoundanalysiswithsecondaryelectrosprayionizationmassspectrometry AT nathanperkins differentiationofcysticfibrosisrelatedpathogensbyvolatileorganiccompoundanalysiswithsecondaryelectrosprayionizationmassspectrometry AT christophberger differentiationofcysticfibrosisrelatedpathogensbyvolatileorganiccompoundanalysiswithsecondaryelectrosprayionizationmassspectrometry AT renatozenobi differentiationofcysticfibrosisrelatedpathogensbyvolatileorganiccompoundanalysiswithsecondaryelectrosprayionizationmassspectrometry AT tobiasbruderer differentiationofcysticfibrosisrelatedpathogensbyvolatileorganiccompoundanalysiswithsecondaryelectrosprayionizationmassspectrometry AT alexandermoeller differentiationofcysticfibrosisrelatedpathogensbyvolatileorganiccompoundanalysiswithsecondaryelectrosprayionizationmassspectrometry |
| _version_ |
1718411332643979264 |