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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 For the Processing of GC Data of Cigarette Smoke

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【作者】 余苓刘百战王美琳张朝平张敏陆益敏

【Author】 Yu Ling,Liu Baizhan,Wang Meiling,Zhang Chaoping,Zhang Min,Lu Yimin Technical Centre of Shanghai Tobacco(Group)Corporation,Shanghai,200082

【机构】 上海烟草(集团)公司技术中心

【摘要】 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。烟气色谱数据是如此的复杂,需要建立一种复杂数据处理方法才能很好的对烟气质量进行评估。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曾应用于卷烟烟气数据处理,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建立一种指纹图谱算法,并形成一套有效的评价方法应用于烟草制品的质量评价。该算法通过使用色谱峰面积权重确定每个色谱指纹峰容差,在此基础上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。该方法已成功应用于烟气色谱数据分析,论文中提供了相关的应用实例。收集了12个品牌的卷烟,包括烤烟型、英式烤烟型和混合型卷烟若干色谱数据,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。

【Abstract】 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.The complexity of gas chromatograms of cigarette smoke needs suitable data treatment methods to establish relationship between smoke quality and smoke chemistry.Methods of data treatments 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 quality evaluation of cigarette products.The allowances of all chromatographic peaks were determined by using their weight of peak areas which indicate the peak significance.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 treatment 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 provides more useful information of the complicated GC data.

  • 【会议录名称】 中国烟草学会2006年学术年会论文集
  • 【会议名称】中国烟草学会2006年学术年会
  • 【会议时间】2007-03
  • 【会议地点】中国广东广州
  • 【分类号】TS47
  • 【主办单位】中国烟草学会
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