Exploring Streptococcus pneumoniae capsular typing through MALDI-TOF mass spectrometry and machine-learning algorithms in Argentina: Identifying prevalent NON PCV13 serotypes alongside PCV13 serotypes

Introduction: Laboratory surveillance of Streptococcus pneumoniae serotypes plays a crucial role in effectively implementing vaccines to prevent invasive pneumococcal diseases. The conventional method of serotyping, known as the Quellung reaction, is both time-consuming and expensive. However, the e...

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Main Authors: Jonathan Zintgraff, Florencia Rocca, Nahuel Sánchez Eluchans, Lucía Irazu, Maria Alicia Moscoloni, Claudia Lara, Mauricio Santos
Format: Article
Language:English
Published: Elsevier 2023-11-01
Series:Journal of Mass Spectrometry and Advances in the Clinical Lab
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2667145X23000366
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author Jonathan Zintgraff
Florencia Rocca
Nahuel Sánchez Eluchans
Lucía Irazu
Maria Alicia Moscoloni
Claudia Lara
Mauricio Santos
author_facet Jonathan Zintgraff
Florencia Rocca
Nahuel Sánchez Eluchans
Lucía Irazu
Maria Alicia Moscoloni
Claudia Lara
Mauricio Santos
author_sort Jonathan Zintgraff
collection DOAJ
description Introduction: Laboratory surveillance of Streptococcus pneumoniae serotypes plays a crucial role in effectively implementing vaccines to prevent invasive pneumococcal diseases. The conventional method of serotyping, known as the Quellung reaction, is both time-consuming and expensive. However, the emergence of MALDI-TOF MS technology has revolutionized microbiology laboratories by enabling rapid and cost-effective serotyping based on protein profiles. Objectives: In this study, we aimed to investigate the viability of utilizing MALDI-TOF MS technology as an adjunctive and screening method for capsular typing of Streptococcus pneumoniae. Our approach involved developing classification models based on MALDI-TOF MS to discern between Streptococcus pneumoniae strains originating from PCV13 (13-valent pneumococcal conjugate vaccine) and NON PCV13 isolates. Methods: Firstly, we established a comprehensive spectral database comprising isolates of serotypes present in the PCV13 vaccine, along with the top 10 most prevalent NON PCV13 serotypes based on local epidemiological data. This database served as a foundation for developing unsupervised models utilizing MALDI-TOF MS spectra, which enabled us to identify inherent patterns and relationships within the data. Our analysis involved a dataset comprising 215 new isolates collected from nationwide surveillance in Argentina. Our approach involved developing classification models based on MALDI-TOF MS to discern between Streptococcus pneumoniae strains originating from PCV13 (13-valent pneumococcal conjugate vaccine) and NON PCV13 isolates. Results: Although our findings revealed suboptimal performance in serotype classification, they provide valuable insights into the potential of machine learning algorithms in this context. The sensitivity of the models ranged from 0.41 to 0.46, indicating their ability to detect certain serotypes. The observed specificity consistently remained at 0.60, suggesting a moderate level of accuracy in identifying non-vaccine serotypes. These results highlight the need for further refinement and optimization of the algorithms to enhance their discriminative power and predictive accuracy in serotype identification.By addressing the limitations identified in this study, such as exploring alternative feature selection techniques or optimizing algorithm parameters, we can unlock the full potential of machine learning in robust and reliable serotype classification of S. pneumoniae. Our work not only provides a comprehensive evaluation of multiple machine learning models but also emphasizes the importance of considering their strengths and limitations. Conclusion: Overall, our study contributes to the growing body of research on utilizing MALDI-TOF MS and machine learning algorithms for serotype identification purposes.
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spelling doaj.art-d2f4cab665864b82af85d0708f94a41e2023-12-12T04:36:50ZengElsevierJournal of Mass Spectrometry and Advances in the Clinical Lab2667-145X2023-11-01306173Exploring Streptococcus pneumoniae capsular typing through MALDI-TOF mass spectrometry and machine-learning algorithms in Argentina: Identifying prevalent NON PCV13 serotypes alongside PCV13 serotypesJonathan Zintgraff0Florencia Rocca1Nahuel Sánchez Eluchans2Lucía Irazu3Maria Alicia Moscoloni4Claudia Lara5Mauricio Santos6Servicio Bacteriología Clínica, Instituto Nacional de Enfermedades Infecciosas (INEI)- Nacional de Laboratorios e Institutos de Salud (ANLIS) “Dr. Carlos G. Malbrán”, Buenos Aires, Argentina; Red Nacional de Espectrometría de Masas aplicada a la Microbiología Clínica (ReNaEM Argentina), Argentina; Corresponding author.Instituto Nacional de Enfermedades Infecciosas (INEI) – Administración Nacional de Laboratorios e Institutos de Salud (ANLIS) “Dr. Carlos G. Malbrán”, Buenos Aires, Argentina; Red Nacional de Espectrometría de Masas aplicada a la Microbiología Clínica (ReNaEM Argentina), ArgentinaServicio Bacteriología Clínica, Instituto Nacional de Enfermedades Infecciosas (INEI)- Nacional de Laboratorios e Institutos de Salud (ANLIS) “Dr. Carlos G. Malbrán”, Buenos Aires, ArgentinaInstituto Nacional de Enfermedades Infecciosas (INEI) – Administración Nacional de Laboratorios e Institutos de Salud (ANLIS) “Dr. Carlos G. Malbrán”, Buenos Aires, ArgentinaServicio Bacteriología Clínica, Instituto Nacional de Enfermedades Infecciosas (INEI)- Nacional de Laboratorios e Institutos de Salud (ANLIS) “Dr. Carlos G. Malbrán”, Buenos Aires, ArgentinaServicio Bacteriología Clínica, Instituto Nacional de Enfermedades Infecciosas (INEI)- Nacional de Laboratorios e Institutos de Salud (ANLIS) “Dr. Carlos G. Malbrán”, Buenos Aires, ArgentinaServicio Bacteriología Clínica, Instituto Nacional de Enfermedades Infecciosas (INEI)- Nacional de Laboratorios e Institutos de Salud (ANLIS) “Dr. Carlos G. Malbrán”, Buenos Aires, ArgentinaIntroduction: Laboratory surveillance of Streptococcus pneumoniae serotypes plays a crucial role in effectively implementing vaccines to prevent invasive pneumococcal diseases. The conventional method of serotyping, known as the Quellung reaction, is both time-consuming and expensive. However, the emergence of MALDI-TOF MS technology has revolutionized microbiology laboratories by enabling rapid and cost-effective serotyping based on protein profiles. Objectives: In this study, we aimed to investigate the viability of utilizing MALDI-TOF MS technology as an adjunctive and screening method for capsular typing of Streptococcus pneumoniae. Our approach involved developing classification models based on MALDI-TOF MS to discern between Streptococcus pneumoniae strains originating from PCV13 (13-valent pneumococcal conjugate vaccine) and NON PCV13 isolates. Methods: Firstly, we established a comprehensive spectral database comprising isolates of serotypes present in the PCV13 vaccine, along with the top 10 most prevalent NON PCV13 serotypes based on local epidemiological data. This database served as a foundation for developing unsupervised models utilizing MALDI-TOF MS spectra, which enabled us to identify inherent patterns and relationships within the data. Our analysis involved a dataset comprising 215 new isolates collected from nationwide surveillance in Argentina. Our approach involved developing classification models based on MALDI-TOF MS to discern between Streptococcus pneumoniae strains originating from PCV13 (13-valent pneumococcal conjugate vaccine) and NON PCV13 isolates. Results: Although our findings revealed suboptimal performance in serotype classification, they provide valuable insights into the potential of machine learning algorithms in this context. The sensitivity of the models ranged from 0.41 to 0.46, indicating their ability to detect certain serotypes. The observed specificity consistently remained at 0.60, suggesting a moderate level of accuracy in identifying non-vaccine serotypes. These results highlight the need for further refinement and optimization of the algorithms to enhance their discriminative power and predictive accuracy in serotype identification.By addressing the limitations identified in this study, such as exploring alternative feature selection techniques or optimizing algorithm parameters, we can unlock the full potential of machine learning in robust and reliable serotype classification of S. pneumoniae. Our work not only provides a comprehensive evaluation of multiple machine learning models but also emphasizes the importance of considering their strengths and limitations. Conclusion: Overall, our study contributes to the growing body of research on utilizing MALDI-TOF MS and machine learning algorithms for serotype identification purposes.http://www.sciencedirect.com/science/article/pii/S2667145X23000366Streptococcus pneumoniaMALDI TOFMass spectrometryConjugates vaccinesCapsular typingMachine learning
spellingShingle Jonathan Zintgraff
Florencia Rocca
Nahuel Sánchez Eluchans
Lucía Irazu
Maria Alicia Moscoloni
Claudia Lara
Mauricio Santos
Exploring Streptococcus pneumoniae capsular typing through MALDI-TOF mass spectrometry and machine-learning algorithms in Argentina: Identifying prevalent NON PCV13 serotypes alongside PCV13 serotypes
Journal of Mass Spectrometry and Advances in the Clinical Lab
Streptococcus pneumonia
MALDI TOF
Mass spectrometry
Conjugates vaccines
Capsular typing
Machine learning
title Exploring Streptococcus pneumoniae capsular typing through MALDI-TOF mass spectrometry and machine-learning algorithms in Argentina: Identifying prevalent NON PCV13 serotypes alongside PCV13 serotypes
title_full Exploring Streptococcus pneumoniae capsular typing through MALDI-TOF mass spectrometry and machine-learning algorithms in Argentina: Identifying prevalent NON PCV13 serotypes alongside PCV13 serotypes
title_fullStr Exploring Streptococcus pneumoniae capsular typing through MALDI-TOF mass spectrometry and machine-learning algorithms in Argentina: Identifying prevalent NON PCV13 serotypes alongside PCV13 serotypes
title_full_unstemmed Exploring Streptococcus pneumoniae capsular typing through MALDI-TOF mass spectrometry and machine-learning algorithms in Argentina: Identifying prevalent NON PCV13 serotypes alongside PCV13 serotypes
title_short Exploring Streptococcus pneumoniae capsular typing through MALDI-TOF mass spectrometry and machine-learning algorithms in Argentina: Identifying prevalent NON PCV13 serotypes alongside PCV13 serotypes
title_sort exploring streptococcus pneumoniae capsular typing through maldi tof mass spectrometry and machine learning algorithms in argentina identifying prevalent non pcv13 serotypes alongside pcv13 serotypes
topic Streptococcus pneumonia
MALDI TOF
Mass spectrometry
Conjugates vaccines
Capsular typing
Machine learning
url http://www.sciencedirect.com/science/article/pii/S2667145X23000366
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