A Progressive Peak-Finding and Weak Peak-Preserving LM Algorithm for Isotope Separation in Miniature Mass Spectrometers

IF 1.8 3区化学 Q4 BIOCHEMICAL RESEARCH METHODS

Rapid Communications in Mass Spectrometry Pub Date : 2025-05-19 DOI:10.1002/rcm.10073

Zhiwei Wang, Ang Li, Wei Xu, Dayu Li

{"title":"A Progressive Peak-Finding and Weak Peak-Preserving LM Algorithm for Isotope Separation in Miniature Mass Spectrometers","authors":"Zhiwei Wang, Ang Li, Wei Xu, Dayu Li","doi":"10.1002/rcm.10073","DOIUrl":null,"url":null,"abstract":"<div>\n \n \n <section>\n \n <h3> Rationale</h3>\n \n <p>In recent years, performance enhancement strategies for miniature mass spectrometers through signal processing techniques have garnered significant attention, primarily due to their advantage of not changing their mechanical structure. Gaussian decomposition, as a signal processing approach, has shown considerable potential in the field of overlapping peak identification.</p>\n </section>\n \n <section>\n \n <h3> Method</h3>\n \n <p>In this study, a novel PPWP-LM (progressive peak-finding and weak peak-preserving Levenberg-Marquardt) algorithm integrating Gaussian decomposition techniques is proposed for use in miniature ion trap mass spectrometers for aliased peak separation.</p>\n </section>\n \n <section>\n \n <h3> Result</h3>\n \n <p>The feasibility of the algorithm was verified using simulation data, and the anti-noise performance of the PPWP-LM algorithm was verified under different signal-to-noise ratios. The analytical capability of the algorithm was further evaluated using samples at different concentrations and different scanning speeds, and the results showed that the algorithm maintained stable performance and was adaptable under high-speed scanning conditions. In addition, aliased signal separation was successfully demonstrated by mixing samples, and the results show that it is suitable for rapid analysis in the field and meets the requirements of practical applications.</p>\n </section>\n \n <section>\n \n <h3> Conclusion</h3>\n \n <p>Through optimized strategies including a progressive search, pseudo-peak removal, and weak peak protection, the algorithm successfully achieves isotope separation under high-speed scanning conditions in miniature ion trap mass spectrometers, significantly enhancing their analytical efficiency and performance.</p>\n </section>\n </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 17","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Rapid Communications in Mass Spectrometry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/rcm.10073","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}

引用次数: 0

Abstract

Rationale

In recent years, performance enhancement strategies for miniature mass spectrometers through signal processing techniques have garnered significant attention, primarily due to their advantage of not changing their mechanical structure. Gaussian decomposition, as a signal processing approach, has shown considerable potential in the field of overlapping peak identification.

Method

In this study, a novel PPWP-LM (progressive peak-finding and weak peak-preserving Levenberg-Marquardt) algorithm integrating Gaussian decomposition techniques is proposed for use in miniature ion trap mass spectrometers for aliased peak separation.

Result

The feasibility of the algorithm was verified using simulation data, and the anti-noise performance of the PPWP-LM algorithm was verified under different signal-to-noise ratios. The analytical capability of the algorithm was further evaluated using samples at different concentrations and different scanning speeds, and the results showed that the algorithm maintained stable performance and was adaptable under high-speed scanning conditions. In addition, aliased signal separation was successfully demonstrated by mixing samples, and the results show that it is suitable for rapid analysis in the field and meets the requirements of practical applications.

Conclusion

Through optimized strategies including a progressive search, pseudo-peak removal, and weak peak protection, the algorithm successfully achieves isotope separation under high-speed scanning conditions in miniature ion trap mass spectrometers, significantly enhancing their analytical efficiency and performance.

查看原文本刊更多论文

一种用于微型质谱仪同位素分离的渐进式寻峰和弱保峰LM算法

近年来，通过信号处理技术提高微型质谱仪性能的策略引起了人们的极大关注，主要是因为它们具有不改变机械结构的优点。高斯分解作为一种信号处理方法，在重叠峰识别领域显示出相当大的潜力。方法结合高斯分解技术，提出了一种新的PPWP-LM（渐进式寻峰和弱保峰Levenberg-Marquardt）算法，用于微型离子阱质谱混叠峰分离。结果通过仿真数据验证了算法的可行性，并验证了不同信噪比下PPWP-LM算法的抗噪性能。在不同浓度和不同扫描速度下对算法的分析能力进行了进一步评价，结果表明算法在高速扫描条件下保持稳定的性能和适应性。此外，通过混合样品成功验证了混叠信号分离，结果表明该方法适用于现场快速分析，满足实际应用要求。结论该算法通过渐进式搜索、伪峰去除、弱峰保护等优化策略，成功实现了小型离子阱质谱仪在高速扫描条件下的同位素分离，显著提高了小型离子阱质谱仪的分析效率和性能。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Rapid Communications in Mass Spectrometry 化学-分析化学

CiteScore

4.10

自引率

5.00%

发文量

219

审稿时长

2.6 months

期刊介绍： Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.