近红外光谱法快速同时测定烟用香精中常用溶剂含量  

Application of Near Infrared Spectroscopy Method in the Simultaneous and Rapid Determination of Comman Solvents in Tobacco Flavors

作　　者：秦子娴 何春莉 周浩 陈云璨 唐杰 黎洪利 朱立军 朱玲 QIN Zixian;HE Chunli;ZHOU Hao;CHEN Yuncan;TANG Jie;LI Hongli;ZHU Lijun;ZHU Ling(Technology Center,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5期151-157,共7页Flavour Fragrance Cosmetics

摘　　要：基于近红外光谱技术建立了烟用香精中水、乙醇、1,2-丙二醇、丙三醇4种组分含量的预测模型,并对模型进行了验证和评价。结果表明,所建预测模型可同时快速对样品中的水、乙醇、1,2-丙二醇、丙三醇含量进行预测,采用Savitzky-Golay滤波平滑+一阶导数光谱预处理,模型的校正集相关系数(R^(2))均大于0.985,校正均方根误差(RMSEC)分别为0.884、0.644、1.720、0.849。将模型的预测值与气相色谱-热导检测器(GC-TCD)法测定结果相比较,二者结果无显著性差异(P>0.05),利用预测值建立了质量控制模型,当显著水平为5%条件下,该模型对异常样品和正常样品的正确判别率均为100%。可见,近红外光谱技术能对烟用香精常用溶剂进行无损、快速、高效的同时分析,并可用于烟用香精生产与应用过程中的质量监测。A prediction model for the contents of four components,namely,water,ethanol,1,2-propylene glycol and glycerol in tobacco flavors was developed based on near infrared spectroscopy,and the model predictions were verified and evaluated.The results showed that the prediction models could quickly and simultaneously predict the contents of four ingredients in the samples.With the Savitzky-Golay filter smoothing+first-order derivative,the correlation coefficients(R^(2))of the established models were all greater than 0.985,and the root mean square error of correction(RMSEC)were 0.884,0.644,1.720,0.849,respectively.The predicted results of the models were compared with the results of the gas chromatography-thermal conductivity detector(GC-TCD)method,and there was no significant difference between the two results(P>0.05).A quality control model was established by using the predicted values,and the correct discrimination rate of the model for both abnormal samples and normal samples was 100%when the significant level was under the condition of 5%.Therefore,the near infrared spectroscopy technology can provide non-destructive,rapid and efficient simultaneous determination of solvents in tobacco flavors,and can be used for quality monitoring in the production and application of the tobacco flavors.

关 键 词：近红外光谱 烟用香精 水 乙醇 1 2-丙二醇 丙三醇 

分 类 号：O657.33[理学—分析化学] TS264.3[理学—化学]