Hadamard变换离子迁移谱的理论模拟初步研究

J4 ›› 2013, Vol. 30 ›› Issue (5): 524-529.

Hadamard变换离子迁移谱的理论模拟初步研究

方英兰牛文琪沈成银刘升黄超群王鸿梅江海河储焰南

1 中科院安徽光学精密机械研究所环境光谱学研究室，安徽合肥 230031； 2 中科院合肥物质科学研究院医学物理与技术中心，安徽合肥 230031； 3 安徽农业大学理学院，安徽合肥 230036

收稿日期:2013-03-01 修回日期:2013-03-13 出版日期:2013-09-28 发布日期:2013-09-17
通讯作者: 储焰南（1965-），研究员，博士生导师，主要从事环境光谱、质谱及离子迁移谱的研究。 E-mail:ychu@aiofm.ac.cn
作者简介:方英兰（1986-），研究生，主要从事Hadamard变换离子迁移谱的技术研究。E-mail: fyl_cherry@163.com
基金资助:
国家自然科学基金（20907054，21107112）、中国科学院知识创新工程重要方向项目（KGCX2-YW-917）

A preliminary theoretical simulation of Hadamard transform of ion mobility spectrometry

FANG Ying-lan, NIU Wen-qi, SHEN Cheng-yin, LIU sheng, HUANG Chao-qun, WANG Hong-mei, JIANG Hai-he, CHU Yan-nan

1 Hefei Institutes of Physical Science,Chinese Academy of Sciences, Hefei 230031, China; 2 Center of Medical Physics and Technology，Hefei Institute of Physical Science，Hefei 230031， China 3 School of Science, Anhui Agricultural University, Hefei 230036, China

Received:2013-03-01 Revised:2013-03-13 Published:2013-09-28 Online:2013-09-17

摘要/Abstract

摘要： 通过改变采样点数，理论优化了Hadamard变换离子迁移谱（Hadamard transform ion mobility spectrometry, HT-IMS）谱图的采样速率；通过增加模拟的白噪声，分析了该方法提高谱图信噪比的效果和对分辨率的影响。初步结果表明，在单次离子门门宽0.4ms内，采集8个及以上数据点可以完整地反演IMS谱图；Hadamard变换方法得到的谱图的信噪比是传统IMS谱图信噪比的15.8倍，是相同时间内多次传统IMS谱图平均后信噪比的4.6倍；变换过程对IMS谱图分辨率无明显影响。Hadamard变换IMS的模拟不仅对采样速率等参数的选择和优化提供理论依据，而且为下一步实验控制和反演奠定软件基础。

关键词: 光谱学, 离子迁移谱, Hadamard变换, 理论模拟, 信噪比

Abstract: Theoretically, the sampling rate of HT-IMS spectra was optimized by changing the sampling data points. By adding white noise of simulation, the effect of improving the SNR of the spectra of the approach and its influence on the resolution were analysed. Preliminary results show that it could retrieve the IMS spectra by sampling at least 8 data points within a single ion gate width of 0.4 ms. The SNR of the spectra using Hadamard transform approach is 15.8 times as large as that of conventional IMS spectra, as well is 4.6 times as large as that of the spectra acquired by averaging multiple conventional spectra with the same sampling time.The transformational process has no obvious influence on the resolution of the IMS spectra.The simulation of Hadamard transform IMS not only provides theoretical evidences to choosing and optimizing sampling rate and so on, but also establishs the software foundation for next experimental control and transformation.

Key words: spectroscopy, ion mobility spectrometry, Hadamard transform, theoretical simulation, SNR

中图分类号:

O657
TN911

方英兰牛文琪沈成银刘升黄超群王鸿梅江海河储焰南. Hadamard变换离子迁移谱的理论模拟初步研究[J]. J4, 2013, 30(5): 524-529.

FANG Ying-lan, NIU Wen-qi, SHEN Cheng-yin, LIU sheng, HUANG Chao-qun, WANG Hong-mei, JIANG Hai-he, CHU Yan-nan. A preliminary theoretical simulation of Hadamard transform of ion mobility spectrometry[J]. J4, 2013, 30(5): 524-529.

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