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Dynamic background noise removal from overlapping GC-MS peaks via an entropy minimization algorithm

机译:动态背景噪声通过熵最小化算法从重叠的GC-MS峰值移除

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摘要

A major challenge for accurate GC-MS analysis is to achieve excellent chromatographic separation and a high signal-to-noise ratio. In fact, real-world samples are often contaminated with impurities that manifest as intense background noise in GC-MS data. Herein, a dynamic background noise removal system is developed based on an entropy minimization algorithm to extract pure mass spectra of straight-chain n-alkane components in a sample of hydrogenated jet fuel. This system is capable of extracting pure component spectra from overlapping peaks that are heavily superimposed by background noise without a priori information. The performance of the system surpasses that of the background subtraction method applied in Agilent ChemStation software. The robustness of the system to accurately analyse real-world samples is expected to simplify and revolutionise the application of GC-MS for chemical analysis.
机译:精确GC-MS分析的主要挑战是实现优异的色谱分离和高信噪比。 事实上,现实世界样本通常污染杂质,这些杂质显现为GC-MS数据中的强烈背景噪声。 这里,基于熵最小化算法开发动态背景噪声去除系统,以在氢化射流燃料样品中提取直链N-烷烃组分的纯质谱。 该系统能够从重叠峰值中提取纯成分光谱,其在没有先验信息的情况下通过背景噪声大量叠加。 系统的性能超越了Agilent ChemStation软件中应用的背景减法方法的性能。 预计系统准确地分析现实世界样本的鲁棒性将简化和彻底改变GC-MS进行化学分析的应用。

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  • 来源
    《Analytical methods》 |2017年第18期|共6页
  • 作者单位

    ChemoPower Technol Pte Ltd 20 Sci Pk Rd 02-25 Teletech Pk Singapore 117674 Singapore;

    ChemoPower Technol Pte Ltd 20 Sci Pk Rd 02-25 Teletech Pk Singapore 117674 Singapore;

    Natl Univ Singapore Suzhou Res Inst Publ Acad SIP 377 Linquan St Block 3 Suzhou 215123 Jiangsu Peoples R China;

    Guangxi Bot Garden Med Plants Nanning 530023 Guangxi Zhuang Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 分析化学;
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