片姜黄中挥发油含量近红外定量检测模型的建立  

Quantitative Model Establishment for Volatile Oils from Rhizoma Wenyujin Concisum by Near-infrared Spectrometry

作　　者：岳显可[1,2] 凌珏 杨柳 杜伟锋[1,2] 葛卫红 

机构地区：[1]浙江中医药大学中药炮制技术研究中心,杭州311401 [2]浙江中医药大学中药饮片有限公司

出　　处：《中国药师》2017年第10期1866-1869,共4页China Pharmacist

基　　金：公益性行业科研专项经费项目(编号:201507002);国家中药标准化项目(编号:ZYBZH-Y-ZY-45)

摘　　要：目的:建立片姜黄近红外定量检测模型,快速测定片姜黄中挥发油的含量。方法:以中国药典中蒸馏法测定片姜黄中挥发油的含量,然后采用傅立叶变换近红外光谱技术并结合偏最小二乘法(PLS)建立、优化模型,采用校正模型的相关系数(r)、校正均方根误差(RMSEC)、内部交叉验证均方根误差(RMCECV)和预测模型相关系数(r)、预测均方根误差(RMSEP)对校正模型进行评价。结果:选择谱段为7 189~4 227 cm^(-1)、8 813~7 478 cm^(-1),以二阶导数+MSC对原始光谱进行预处理建立定量分析模型;所建立的片姜黄挥发油定量校正模型中的r为0.976 9;RMSEC为0.090 7;RMCECV为0.377 3;片姜黄挥发油预测模型的r值为0.905 3;RMSEP为0.196 0。结论:建立的近红外定量模型预测精度较高,可用于片姜黄挥发油含量的快速测定。Objective： To established a near-infrared spectroscopy quantitative model for the rapid determination of volatile oils from Rhizoma wenyujin concisum. Methods：Firstly, the volatile oils from Rhizoma wenyujin was determined by the distillation method described in Chinese Pharmacopoeia. The quantitative calibration model was established and optimized by fourier transformation near-infrared spectroscopy （ FT-NIR） combined with partial least square （ PLS） regression. The calibration model was evaluated by the coef-ficient （r）, root-mean-square error of calibration （RMSEC） and root mean square of cross-validation （RMSECV） of the calibration model as well as the root mean square of prediction （ RMSEP） of prediction model. Results： In the combination of FT-NIR and PLS regression, the spectrum of 7189-4227 cm-1 , 8813-7478 cm-1 and＆quot;second spectrum＋MSC＆quot; were chosen to establishe and optimize the quantitative calibration model. For the quantitative calibration model, the r, RMSEC and RMSECV of volatile oils was 0. 9769, 0. 0907 and 0. 3773, respectively. For the prediction model, the r and RMSEP of volatile oils was 0. 9053 and 0. 1960, respective-ly. Conclusion：The established near-infrared spectroscopy quantitative model is relatively stable, accurate and reliable in the simulta-neous quantitative analysis of volatile oils, and is expected to be used for the rapid determination of volatile oils from Rhizoma wenyujin concisum.

关 键 词：片姜黄 近红外光谱 挥发油 检测模型 

分 类 号：R917[医药卫生—药物分析学]