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香料的热脱附-气质联用指纹图谱偏最小二乘判别分析与差异表征
引用本文:陈康宁,杨燕,李伟,王家俊,毛多斌,侯英.香料的热脱附-气质联用指纹图谱偏最小二乘判别分析与差异表征[J].云南大学学报(自然科学版),2015,37(1):117-123.
作者姓名:陈康宁  杨燕  李伟  王家俊  毛多斌  侯英
作者单位:1.红云红河烟草(集团)有限公司,云南 昆明 650202;2. 郑州轻工业学院,河南 郑州 450002;
3.云南同创检测技术股份有限公司,云南 昆明〓650106;4.云南中烟工业有限责任公司 技术中心,云南 昆明 650231CHEN
基金项目:红云红河烟草(集团)有限责任公司科技项目(HYHH2012HX03).
摘    要: 采集72个来自2类不同风格特征香料的热脱附-气质联用指纹图谱,结合偏最小二乘判别分析(PLS-DA),建立2类不同风格特征香料的类模型.使用26个验证样品对类模型进行验证(在P>0.05的条件下),结果表明,验证样品均获得了正确的分类,类模型判别效果良好;同时,通过因子载荷矩阵分析,计算各化学组分对2类香料分类的贡献率,表征2类香料化学组分的差异,结果令人满意.

关 键 词:热脱附-气质联用指纹图谱  PLS-DA法  烟用香料

Classify and quantity control casing flavor by PLS-DA combined withthermal desorption spectroscopy-gas chromatographmass spectrometer
Kang -ning,YANG Yan,LI Wei WANG Jia -jun,MAO Duo-bing,HOU Ying.Classify and quantity control casing flavor by PLS-DA combined withthermal desorption spectroscopy-gas chromatographmass spectrometer[J].Journal of Yunnan University(Natural Sciences),2015,37(1):117-123.
Authors:Kang -ning  YANG Yan  LI Wei WANG Jia -jun  MAO Duo-bing  HOU Ying
Institution:1.Hongyun-Honghe Tobacco (Group)Co.,Ltd.Kunming 650202,China;
2.Zhengzhou Institute of Light Industry,Zhengzhou 450002,China;
3.Yunnan Tongchuang Technology Analysis Co.,Ltd.Kunming 650106,China;
4.R & D of China Tobacco Yunnan Industrial Co.,Ltd,Kunming 650231,China
Abstract:TDS-GC-MS chromatographic fingerprints of 72 flavors,which were belong to two different characteristic types,were collected and integrated with analysis method of PLS-DA,to establish class model for two different characteristic flavors.When P>0.05,26 verified samples were used to verify class model,and the result showed that the class model performed well in discrimination of verified samples'' classifying;meanwhile,to calculate the contribution rate of each chemical compound to classify of the two types of flavors by analysis the factors of contribute matrix,to characterize the differences of chemical compounds in two types of flavors,led to a satisfying results.
Keywords:TD-GC/MS fingerprint  PLS-DA  casing flavor
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