近红外光谱结合偏最小二乘法快速检测山苍子精油中柠檬醛的含量  

Rapid Determination of Citral in Litsea Cubeba Essential Oil by Near Infrared Spectroscopy Combined with Partial Least Square Method

作　　者：陈梓云[1] 黄晓霞[1] 姚婉清[1] 彭梦侠[1] CHEN Zi-yun;HUANG Xiao-xia;YAO Wan-qing;PENG Meng-xia(School of Chemistry and Environment,Jiaying University,Meizhou 514015,China)

机构地区：[1]嘉应学院化学与环境学院,广东梅州514015

出　　处：《安徽化工》2022年第1期121-124,共4页Anhui Chemical Industry

基　　金：2020年广东省科技专项资金项目(“大专项+任务清单”)(2020A0104003)。

摘　　要：以12种市售山苍子精油为研究对象,用气相色谱-质谱联用技术(GC-MS)测定结果为标准,近红外光谱结合偏最小二乘法建立山苍子精油中柠檬醛含量的定量分析模型。采用液体透射模块采集山苍子精油的近红外光谱图,通过建模数据和光谱范围的优化,结果表明,在4474.04~4759.46 cm^(-1)光谱范围内,建模数据形式为无处理,建立的山苍子精油定量分析模型最佳,模型的校正相关系数R值为0.9990,校正均方差(RMSEC)为0.0122。检验模型得到,模型的交互验证相关系数R为0.9988,交叉验证均方差(RMSECV)为0.0587,预测均方差(RMSEP)为0.0129,绝对偏差-1.9~2.2 mg/L,相对偏差-1.36%~1.84%,平均回收率为96.11%,模型检测山苍子精油中柠檬醛的含量准确度高。Using the results of gas chromatography-mass spectrometry(GC-MS)as the standard,the quantitative analysis model of citral content in 12 kinds of essential oil of litsea cubeba was established by near infrared spectroscopy and partial least squares method.The near-infrared spectra of essential oil of litsea cubeba were collected by the liquid transmission module.Through the optimization of modeling data and spectral range,the results showed that within the spectral range of 4474.04~4759.46 cm^(-1),the modeling data form was unprocessed,the established quantitative analysis model of essential oil of litsea cubeba was the best,and the correction correlation coefficient R value of the model was 0.9990,corrected mean square deviation(RMSEC)0.0122.The correlation coefficient of cross-validation was 0.9988,the mean square error of cross-validation(RMSECV)was 0.0587,the mean square error of prediction(RMSEP)was 0.0129,the absolute deviation was-1.9~2.2 mg/L,the relative deviation was-1.36%~1.84%,and the average recovery rate was 96.11%.The accuracy of citral content in essential oil of litsea cubeba was high.

关 键 词：近红外光谱 偏最小二乘法 快速检测 山苍子精油 柠檬醛 

分 类 号：O657.33[理学—分析化学]