PCR结合超微量紫外光谱技术在烟用香精判别中的应用  

Application of PCR Combined with Ultraviolet Spectroscopy in Tobacco Flavor Distinguishing

作　　者：陈云璨 朱玲 吕祥敏 俞海军 蔡利 王毅 唐杰 CHEN Yuncan;ZHU Ling;LYU Xiangmin;YU Haijun;CAI Li;WANG Yi;TANG Jie(Technology Center of China Tobacco Chongqing Industrial Co.,Ltd.,Chongqing 400060,China)

机构地区：[1]重庆中烟工业有限责任公司技术中心,重庆400060

出　　处：《香料香精化妆品》2023年第4期125-132,共8页Flavour Fragrance Cosmetics

基　　金：重庆中烟工业有限责任公司科研项目(编号HX202005)。

摘　　要：基于紫外(UV)吸收光谱技术和主成分回归(PCR)模型,建立了烟用香精类别判断和质量稳定性分析方法。采用体积分数50%乙醇水溶液稀释烟用香精,超微量UV平台测样,样品量5μL,光谱经一阶导数预处理后,建立4种不同牌号烟用香精PCR模型,并对模型进行了验证。结果表明:PCR模型对烟用香精校正集和验证集样本的预测准确率均为100%,模型预测准确度高,判别效果好;对比PCR模型和Gram-Schmidt相似度分析结果,两种算法均能有效监控烟用香精的质量变化,PCR模型较相似度匹配模型灵敏度更高;PCR模型能高效快速判别招标样品中的合格样品,分析结果与UV相似度匹配模型,以及理化指标、傅里叶变换近红外(FT-NIR)、香气及香味等考察结果一致。该方法能快速稳定判别烟用香精,且快速准确、操作简单、经济环保。A analysis method for category discriminant and quality stability of tobacco flavor was established based on the ultraviolet(UV)spectroscopy and principal component regression(PCR)model.The tobacco flavor was diluted with 50%(in volume fraction)aqueous ethanol solution.Then the sample(5μL)was scanned by ultramicro UV and pre-peocessed by frist derivative,four PCR models of different tobacco flavor brands were established and validated.The results showed that:all prediction accuracy of PCR models for tobacco flavor samples in calibration set and validation set were 100%;comparing the results of PCR model and Gram-Schmidt similarity analysis,the PCR model had higher sensitivity than similarity matching model,and the two algorithms could effectively monitor the quality change of tobacco flavor;qualified samples in the open tenders could be efficiently and accurately identified by the developed method,the results were consistent with that of the UV similarity matching model,physical and chemical indicators,Fourier transform near infrared(FT-NIR),odor and taste standard testing methods.It can be concluded that PCR algorithm combined with UV spectroscopy could efficiently and accurately discriminant tobacco flavor,and the method is rapid,accurate,simple,economical and environment-friendly.

关 键 词：烟用香精 主成分回归 超微量 紫外光谱 质量判别 相似度匹配 

分 类 号：TQ657.4[化学工程—精细化工] O657.32[理学—分析化学]