Developing a Peak Extraction and Retention (PEER) Algorithm for Improving the Temporal Resolution of Raman Spectroscopy
Developing a Peak Extraction and Retention (PEER) Algorithm for Improving the Temporal Resolution of Raman Spectroscopy
复制标题
开发峰值提取和保留 (PEER) 算法以提高拉曼光谱的时间分辨率
DOI：
10.1021/acs.analchem.0c05391
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发表时间：
2021-06-10
影响因子：
7.4
通讯作者：
Tian, Zhong-qun
中科院分区：
文献类型：
--
作者：
Luo, Si-heng;Wang, Xin;Tian, Zhong-qun
在光谱分析中，推极限灵敏度是一个重要的问题，特别是在面对痕量目标的定性和定量分析时。通常，弱信号的有效识别和提取是关键的第一步，为此，几十年来人们一直在努力开发各种去噪算法。然而，信噪比越低，去噪过程中峰值高度和形状的偏差越大。因此，我们提出了一种基于峰值提取和保留（PEER）的去噪算法。首先，利用拉曼光谱的一阶导数和二阶导数来确定具有高信噪比的拉曼峰，其峰信息不受去噪过程的影响。其次，对拉曼光谱左侧部分采用优化后的窗口平滑算法，将其与未处理的拉曼峰相结合，得到去噪后的拉曼光谱；实验证明，PEER算法具有更好的信号提取和保留能力，并成功地将活细胞拉曼成像的时间分辨率比传统算法提高了至少一个数量级。
In spectroscopic analysis, push-to-the-limit sensitivity is one of the important topics, particularly when facing the qualitative and quantitative analyses of the trace target. Normally, the effective recognition and extraction of weak signals are the first key steps, for which there has been considerable effort in developing various denoising algorithms for decades. Nevertheless, the lower the signal-to-noise ratio (SNR), the greater the deviation of the peak height and shape during the denoising process. Therefore, we propose a denoising algorithm along with peak extraction and retention (PEER). First, both the first and second derivatives of the Raman spectrum are used to determine Raman peaks with a high SNR whose peak information is kept away from the denoising process. Second, an optimized window smoothing algorithm is applied to the left part of the Raman spectrum, which is combined with the untreated Raman peaks to obtain the denoised Raman spectrum. The PEER algorithm is demonstrated with much better signal extraction and retention and successfully improves the temporal resolution of Raman imaging of a living cell by at least 1 order of magnitude higher than those by traditional algorithms.