1. 首都师范大学化学系，北京市资源环境与GIS重点实验室，北京 100037 2. Department of Chemistry and Biochemistry, Center for Intelligent Chemical Instrumentation, Clippinger Laboratories, Ohio University, Athens, Ohio 45701-2979, USA
Detection of Trace Organic Compounds by Using Ion Mobility Spectrometry and SIMPLISMA
ZHANG Zhuo-yong1, CHEN Guo-xiang2, Harrington Peter de B2
1. Department of Chemistry, Beijing Municipal Key Laboratory of Resource Environment and GIS, Beijing 100037, China 2. Department of Chemistry and Biochemistry, Center for Intelligent Chemical Instrumentation, Clippinger Laboratories, Ohio University, Athens, Ohio 45701-2979, USA
Abstract：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 compounds in forensic science, environmental and pharmaceutical analysis, etc. SIMPLISMA (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.
张卓勇1，陈国祥2，Harrington Peter de B2 . 离子淌度谱和SIMPLISMA用于痕量有机化合物的检测[J]. 光谱学与光谱分析, 2005, 25(09): 1530-1533.
ZHANG Zhuo-yong1, CHEN Guo-xiang2, Harrington Peter de B2 . Detection of Trace Organic Compounds by Using Ion Mobility Spectrometry and SIMPLISMA. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2005, 25(09): 1530-1533.
[1] Asbury G R, Wu C, Siems W F, et al. Anal. Chim. Acta, 2000, 404: 273. [2] Wu C, Siems W F, Hill H H. Anal. Chem., 2000, 72: 396. [3] Sielemen S, Baumbach J I, Schmidt H, et al. Field Anal. Chem. Tech., 2000, 4: 157. [4] Asbury G R, Klasmeier J, Hill H H. Talanta, 2000, 50: 1291. [5] Guilment J, Markel S, Windig W. Appl. Spectrosc., 1994, 48: 320. [6] Sanchez F C, Massart D L. Anal. Chim. Acta, 1994, 298: 331. [7] Windig W. Computer-Ｅnhanced Analytical Spectroscopy(Jurs P C, editor). New York: Plenum, 1992，95. [8] Windig W, Markel S. J. Mol. Struct., 1993, 292: 161. [9] Windig W. Chemom. Intell. Lab. Syst., 1994, 23: 71. [10] Mansueto E S, Wight C A. Appl. Spectrosc., 1992, 46: 1799. [11] Verberckmoes A A, Weckhuysen B M, Pelgrims J, et al. J. Phys. Chem., 1995, 99: 15222. [12] Harrington P B, Reese E S, Rauch P J, et al. Appl. Spectrosc., 1997, 51: 808. [13] Reese E S, Harrington P B. J. Forensic Sci., 1999, 44: 68. [14] Harrington P B, Rauch P J, Cai C S. Anal. Chem., 2001, 73: 3247. [15] Chen Guo-xiang, Harrington P B. Appl. Spectrosc., 2001, 55: 621.
