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引用本文:   蒋滨, 何晓敏, 杨运煌, 张许, 周欣, 李从刚, 杨代文, 刘买利. 利用迭代软阈值方法抑制恒时演化类核磁共振实验中的采样截断伪峰. 分析化学, 2017, 45(12): 1888-1894. doi:  10.11895/j.issn.0253-3820.171218 [复制]

Citation:   JIANG Bin, HE Xiao-Min, YANG Yun-Huang, ZHANG Xu, ZHOU Xin, LI Cong-Gang, YANG Dai-Wen, LIU Mai-li. Suppress Sampling Truncation Artifacts in Constant-time Type Nuclear Magnetic Resonance Experiments Using Iterative Soft Thresholding Method. Chinese Journal of Analytical Chemistry, 2017, 45(12): 1888-1894. doi: 10.11895/j.issn.0253-3820.171218 [复制]

利用迭代软阈值方法抑制恒时演化类核磁共振实验中的采样截断伪峰

通讯作者:  杨代文, dbsydw@nus.edu.sg; 刘买利, ml.liu@wipm.ac.cn

收稿日期: 2017-09-01

接受日期: 2017-11-02

出版日期: 2017-12-20

基金项目: 本文系国家重点研发计划项目(Nos.2017YFA0505400,2016YFA051201)和国家自然科学基金项目(Nos.21735007,21475146,81227902,21675170)资助

Suppress Sampling Truncation Artifacts in Constant-time Type Nuclear Magnetic Resonance Experiments Using Iterative Soft Thresholding Method

Corresponding author:  YANG Dai-Wen, dbsydw@nus.edu.sg; LIU Mai-li, ml.liu@wipm.ac.cn

Received Date:  2017-09-01

Accepted Date:  2017-11-02

Published Date:  2017-12-20

Fund Project:  This work was supported by the National Key R & D Program of China (Nos. 2017YFA0505400, 2016YFA051201), the National Natural Science Foundation of China (Nos. 21735007, 21475146, 81227902, 21675170)

采样截断,即信号衰减殆尽之前结束采样,会在核磁共振(NMR)谱图中引入振荡状伪峰,进而影响谱图质量。在多维核磁共振实验中,为减少实验时间并为后续脉冲序列保留自旋相干,采样必然在信号衰减完毕之前结束,因此采样截断在所难免。变迹法(窗函数法)可以抑制采样截断造成的伪峰,但会导致谱峰增宽。线性预测也有助于减小截断伪峰。采样截断最严重的场合,是在恒时演化类实验中。这类实验的间接维演化时间固定,因此间接维采样信号强度没有表观衰减。本研究提出的迭代软阈值方法(Iterative Soft Thresholding,IST)虽然因为调节参数困难而在一般场合中应用受限,但恒时演化类(Constant time,CT)NMR实验的间接维信号缺没有表观衰减,这为IST处理参数设置提供了简化条件。本研究通过数据模拟和实验数据,证明了IST是抑制CT-NMR实验中采样截断伪峰的有效方法,并与其它相关方法进行了对比。

关键词:   核磁共振, 采样截断, 截断伪峰, 伪峰抑制, 迭代软阈值方法
Key words:   Nuclear magnetic resonance, Sampling truncation, Truncation artifacts, Artifacts suppression, Iterative soft thresholding
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目录

利用迭代软阈值方法抑制恒时演化类核磁共振实验中的采样截断伪峰

蒋滨, 何晓敏, 杨运煌, 张许, 周欣, 李从刚, 杨代文, 刘买利

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