通过MALDI-TOF质谱和机器学习算法探索阿根廷肺炎链球菌荚膜分型:确定流行的非PCV13血清型和PCV13血清型

IF 3.1 4区 医学 Q2 MEDICAL LABORATORY TECHNOLOGY
Jonathan Zintgraff , Florencia Rocca , Nahuel Sánchez Eluchans , Lucía Irazu , Maria Alicia Moscoloni , Claudia Lara , Mauricio Santos
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引用次数: 0

摘要

肺炎链球菌血清型的实验室监测在有效实施疫苗预防侵袭性肺炎球菌疾病中起着至关重要的作用。被称为Quellung反应的传统血清分型方法既耗时又昂贵。然而,MALDI-TOF质谱技术的出现已经彻底改变了微生物实验室,使基于蛋白质谱的快速和经济高效的血清分型成为可能。目的探讨MALDI-TOF质谱技术作为肺炎链球菌荚膜分型辅助筛选方法的可行性。我们的方法包括建立基于MALDI-TOF质谱的分类模型,以区分来自PCV13(13价肺炎球菌结合疫苗)和非PCV13分离株的肺炎链球菌菌株。方法首先,根据当地流行病学资料,建立包括PCV13疫苗中存在的血清型分离株以及前10名最流行的非PCV13血清型的综合谱数据库。该数据库为利用MALDI-TOF质谱开发无监督模型奠定了基础,使我们能够识别数据中的固有模式和关系。我们的分析涉及一个数据集,包括从阿根廷全国监测中收集的215个新分离株。我们的方法包括建立基于MALDI-TOF质谱的分类模型,以区分来自PCV13(13价肺炎球菌结合疫苗)和非PCV13分离株的肺炎链球菌菌株。尽管我们的研究结果揭示了血清型分类的次优性能,但它们为机器学习算法在这方面的潜力提供了有价值的见解。模型的灵敏度在0.41到0.46之间,表明它们能够检测某些血清型。观察到的特异性始终保持在0.60,表明在识别非疫苗血清型方面具有中等水平的准确性。这些结果表明,需要进一步改进和优化算法,以提高其在血清型鉴定中的判别能力和预测准确性。通过解决本研究中发现的局限性,例如探索替代特征选择技术或优化算法参数,我们可以释放机器学习在稳健可靠的肺炎链球菌血清型分类中的全部潜力。我们的工作不仅提供了多种机器学习模型的综合评估,而且强调了考虑它们的优势和局限性的重要性。总的来说,我们的研究为利用MALDI-TOF质谱和机器学习算法进行血清型鉴定的研究做出了贡献。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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 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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来源期刊
Journal of Mass Spectrometry and Advances in the Clinical Lab
Journal of Mass Spectrometry and Advances in the Clinical Lab Health Professions-Medical Laboratory Technology
CiteScore
4.30
自引率
18.20%
发文量
41
审稿时长
81 days
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