指纹图谱异常指数法在烟气色谱数据处理中的应用

Fingerprint abnormal index algorithm applied in processing of GC data of cigarette smoke

研究表明卷烟产品特有的感观特征不是任意一种或少数几种成分所起的作用,而是烟气中各种成分的综合反映。差谱法、因子分析、主成分模式识别法和聚类分析等数据处理方法都曾应用于卷烟烟气复杂的数据处理,但指纹图谱异常指数法在烟气分析中的应用未见报道。本文结合毛细管色谱分析方法,将指纹图谱间共有峰、缺失峰和额外峰的差异情况之和作为总异常指数表达两种卷烟烟气指纹图谱间的差异。该方法成功应用于烟气色谱数据分析:收集12个品牌的卷烟,包括烤烟型、英式烤烟型和混合型卷烟,将其中一个烤烟型卷烟作为标准,计算每个品牌指纹图谱异常指数值。结果表明指纹图谱异常指数法比主成分模式识别法和差谱法能从色谱数据中挖掘更多的质量信息。

Various studies proved that the smoking quality of cigarettes are not merely decided by one or several kinds of chemical components, the aroma and flavor perceptions of a cigarette are the combined results from multi-components of cigarette smoke. Methods of data processing such as chromatograms subtraction, pattern recognition based on principal components analysis （PCA）, factor analysis and cluster analysis had been applied for the cigarette smoke evaluation. However the fingerprint total abnormal index （TAI） method hasn＇t been reported in this field. In this paper, The TAI method combined with high resolution capillary gas chromatographic analysis of cigarette smoke was used to analyze the cigarette smoke. The TAI represents the difference between two cigarette smoke fingerprint chromatograms, includes abnormal index of common, absent and excess chromatographic peaks. Finally, the TAI was successfully employed in the processing of GC data for cigarette smoke and the examples were given. The chromatograms of twelve brands cigarettes including Virginia-type, British flue-curing type and American blended-type were collected and the TAI of every chromatogram was calculated with a Virginia-type cigarette as standard. The TAI method was compared with PCA and chromatograms subtraction methods, the results indicated that the TAI prorides more useful information of the complicated GC data.