多次衰减全反射IR指纹图谱结合PLS-DA法在烟用香精分类中的应用  

Classification of Tobacco Flavors by PLS-DA Combined with Multi-Bounce Attenuated Total Reflectance IR Fingerprint Spectra

作　　者：李立兵 陈康宁[2] 王家俊[2] 李慧[2] 李伟 杨燕 侯英 

机构地区：[1]云南瑞升烟草技术(集团)有限公司,昆明市海源北路1699号650106 [2]红云红河烟草(集团)有限责任公司,昆明市北郊上庄650202

出　　处：《烟草科技》2014年第7期37-39,50,共4页Tobacco Science & Technology

基　　金：红云红河烟草(集团)有限责任公司科技项目"烟用香精香料气相色谱-质谱指纹图谱质量控制应用(HYHH2012HX03)"和"卷烟品质特征的多维空间化学指纹图谱表征研究(HYHH2012HX07)"

摘　　要：为识别不同风格特征的烟用香精,采集3类烟用香精的多次衰减全反射(ATR)红外指纹图谱,结合偏最小二乘-判别分析,建立了3类不同风格特征烟用香精的类模型,并用30个验证样品对类模型进行了验证。结果表明:在P>0.05条件下,验证样品均获得了正确的分类,类模型判别效果良好,同时,采用Hotelling T2统计量监控不同批次烟用香精的质量稳定性也获得了满意的结果。In order to identify the tobacco flavors of different style characteristics, the multi-bounce attenuated total reflectance infrared spectra of three tobacco flavors were collected, the class models for tobacco flavors of different style characteristics were established by combining with partial least square-discriminant analysis, and the models were verified with 30 validation samples. The results showed that all of the validation samples were correctly classified at P〉 5% level, and the class models featured good discrimination effect. Moreover, the quality consistency of tobacco flavors of different batches monitored with Hotelling T2 statistics obtained satisfactory results as well.

关 键 词：多次衰减全反射红外光谱 指纹图谱 偏最小二乘-判别分析(PLS—DA) 烟用香精 

分 类 号：TQ657.4[化学工程—精细化工]