离子淌度谱和SIMPLISMA用于痕量有机化合物的检测  

Detection of Trace Organic Compounds by Using Ion Mobility Spectrometry and SIMPLISMA

作　　者：张卓勇[1] 陈国祥[2] Harrington Peter de B 

机构地区：[1]首都师范大学化学系 [2]Department of Chemistry and Biochemistry, Center for Intelligent Chemical Instrumentation, Clippinger Laboratories, Ohio University, Athens, Ohio 45701-2979, USA

出　　处：《光谱学与光谱分析》2005年第9期1530-1533,共4页Spectroscopy and Spectral Analysis

基　　金：国家留学基金资助项目

摘　　要：离子淌度谱(IMS)是检测痕量挥发性有机化合物的灵敏方法。SIMPLISMA(simpletouseinteractiveselfmodelingmixtureanalysis)是一种自模型曲线分辨方法。文章将SIMPLISMA用于DMMP,DIMP和DEMP的IMS检测和数据的处理。这些化合物的IMS谱数据经SIMPLISMA处理后,可以提取出IMS的谱特征,并去除大部分噪声的影响。经SIMPLISMA提取的IMS谱可被用于其他计算,如曲线分辨和模式识别等。Ion mobility spectrometry （IMS） is a sensitive means for detection of trace volatile organic compounds. This technique has been used as a routine method for some organic cornpotmds in forensic science, environmental and pharmaceutical analysis, etc. SIM- PLISMA （simple-to-use-interactive self-modeling mixture analysis） is an effective method for large-scale data processing. In the present work, SIMPLISMA has been applied to process IMS data of three methanephosphonate esters. The SIMPLISMA can retain the peak characteristics and eliminate much of the noises of the IMS measurements. The processed spectral data can be subsequently used for other computations, such as curve resolution and pattern recognition etc.

关 键 词：离子淌度谱 SIMPLISMA 化学计量学 数据处理 甲基瞵酸酯 

分 类 号：O657.3[理学—分析化学]