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基于小波的高效液相色谱-质谱联用中噪声表征与去除方法

Wavelet-based method for noise characterization and rejection in high-performance liquid chromatography coupled to mass spectrometry.

作者信息

Cappadona Salvatore, Levander Fredrik, Jansson Maria, James Peter, Cerutti Sergio, Pattini Linda

机构信息

Department of Bioengineering, IIT Unit, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan, Italy.

出版信息

Anal Chem. 2008 Jul 1;80(13):4960-8. doi: 10.1021/ac800166w. Epub 2008 May 30.

Abstract

We present a new method for rejecting noise from HPLC-MS data sets. The algorithm reveals peptides at low concentrations by minimizing both the chemical and the random noise. The goal is reached through a systematic approach to characterize and remove the background. The data are represented as two-dimensional maps, in order to optimally exploit the complementary dimensions of separation of the peptides offered by the LC-MS technique. The virtual chromatograms, reconstructed from the spectrographic data, have proved to be more suitable to characterize the noise than the raw mass spectra. By means of wavelet analysis, it was possible to access both the chemical and the random noise, at different scales of the decomposition. The novel approach has proved to efficiently distinguish signal from noise and to selectively reject the background while preserving low-abundance peptides.

摘要

我们提出了一种从高效液相色谱-质谱数据集去除噪声的新方法。该算法通过最小化化学噪声和随机噪声来揭示低浓度的肽段。通过一种系统的方法来表征和去除背景以实现这一目标。数据被表示为二维图谱,以便最佳地利用液相色谱-质谱技术提供的肽段分离的互补维度。从光谱数据重建的虚拟色谱图已被证明比原始质谱更适合表征噪声。通过小波分析,可以在不同的分解尺度上处理化学噪声和随机噪声。这种新方法已被证明能够有效地将信号与噪声区分开来,并在保留低丰度肽段的同时选择性地去除背景。

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