Optimization of the Entropy-Based Wavelet Method for Removing Strong RF and AC Interferences in a Charge Detection Linear Ion Trap Mass Spectrometer

IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Analytical Chemistry Pub Date : 2025-02-26 DOI:10.1021/acs.analchem.4c06069
Minh Cong Dang, Avinash A. Patil, Thị Khánh Ly Lại, Szu-Wei Chou, Trang Kieu Thi Hoang, Mhar Ian Cua Estayan, Wen-Ping Peng
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Abstract

We developed an entropy-based wavelet method to effectively remove interference from strong radio frequency (RF) and auxiliary alternating current (AC) fields in a linear ion trap (LIT) mass spectrometer coupled to a charge sensing particle detector (CSPD). By optimizing the energy-to-Shannon entropy, we identified the optimal mother wavelet family and decomposition level and determined suitable threshold values based on the median of sub-band coefficients at each decomposition level. These thresholds were applied as rigid criteria across all decomposition levels to eliminate noise interferences and avoid the arbitrary choice of the threshold. This entropy wavelet-based method successfully denoised high-mass protein mass spectra, achieving significant improvements in signal-to-noise ratio (S/N) for immunoglobulin G (IgG) and alpha-2-macroglobulin (A2M) ions, with increases of 68.03% and 81.73%, respectively. Our method surpasses previously reported baseline correction techniques, such as orthogonal wavelet packet decomposition (OWPD) filtering, and enhances the sensitivity of LIT mass spectrometry (LIT-MS) in analyzing high-mass protein ions.

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基于熵的小波法去除电荷检测线性离子阱质谱仪中强射频和交流干扰的优化
在与电荷传感粒子检测器(CSPD)耦合的线性离子阱(LIT)质谱仪中,我们开发了一种基于熵的小波方法,以有效去除强射频(RF)和辅助交流(AC)场的干扰。通过优化能量-香农熵,确定最优母小波族和分解层次,并根据每个分解层次的子带系数中位数确定合适的阈值。这些阈值作为严格的标准应用于所有分解水平,以消除噪声干扰,避免阈值的任意选择。基于熵小波的方法对高质量蛋白质谱进行了去噪处理,免疫球蛋白G (IgG)和α -2-巨球蛋白(A2M)离子的信噪比(S/N)分别提高了68.03%和81.73%。我们的方法超越了先前报道的基线校正技术,如正交小波包分解(OWPD)滤波,并提高了LIT质谱(LIT- ms)在分析高质量蛋白质离子方面的灵敏度。
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来源期刊
Analytical Chemistry
Analytical Chemistry 化学-分析化学
CiteScore
12.10
自引率
12.20%
发文量
1949
审稿时长
1.4 months
期刊介绍: Analytical Chemistry, a peer-reviewed research journal, focuses on disseminating new and original knowledge across all branches of analytical chemistry. Fundamental articles may explore general principles of chemical measurement science and need not directly address existing or potential analytical methodology. They can be entirely theoretical or report experimental results. Contributions may cover various phases of analytical operations, including sampling, bioanalysis, electrochemistry, mass spectrometry, microscale and nanoscale systems, environmental analysis, separations, spectroscopy, chemical reactions and selectivity, instrumentation, imaging, surface analysis, and data processing. Papers discussing known analytical methods should present a significant, original application of the method, a notable improvement, or results on an important analyte.
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