基于近红外光谱法建立的模型快速预测苗药水冬瓜叶中金丝桃苷和异槲皮苷  

Models Based on Near-Infrared Spectroscopy for Rapid Prediction of Hyperin and Isoquercitrin in Miao Medicine of Leaves of Toricellia Angulata Oliv.var.intermedia(Harms)Hu

作　　者：韩忠耀[1] 文朝旭 李燕[1] 蒙慧彤 邓先扩[1] 胡志平[1] 卢洋 田浩 王万乐 HAN Zhongyao;WEN Chaoxu;LI Yan;MENG Huitong;DENG Xiankuo;HU Zhiping;LU Yang;TIAN Hao;WANG Wanle(Department of Pharmacy,Qiannan Medical College for Nationalities,Duyun 558000,China;School of Laboratory Medicine,Zunyi Medical University,Zunyi 563006,China)

机构地区：[1]黔南民族医学高等专科学校药学系,都匀558000 [2]遵义医科大学检验医学院,遵义563006

出　　处：《理化检验（化学分册）》2021年第11期1011-1016,共6页Physical Testing and Chemical Analysis(Part B:Chemical Analysis)

基　　金：贵州省自然科学技术基金(黔科合基础[2020]1Y390号)。

摘　　要：基于近红外光谱法建立的定量分析模型快速预测苗药水冬瓜叶中金丝桃苷和异槲皮苷。样品经甲醇水浴回流提取后,采用近红外光谱仪以透射法采集其1100~2300 nm波长范围内的光谱信息,同时用高效液相色谱法测定金丝桃苷和异槲皮苷的含量,结果作为参考值。分别以标准正态变量交换法-平滑法(SNV-Smoothing)和一阶微分法(S-G first derivative)预处理金丝桃苷和异槲皮苷的原始光谱,以偏最小二乘法(PLS)分别在1100~2300 nm和1100~1400 nm波段内构建金丝桃苷和异槲皮苷的定量分析模型,并以相关系数、校正均方根误差(RMSEC)、预测均方根误差(RMSEP)、预测相对偏差(RSEP)来考察模型性能。结果显示:金丝桃苷定量分析模型的RMSEC、RMSEP与RSEP值分别为0.2414,0.2705,0.1775,相关系数为0.9136;异槲皮苷定量分析模型的RMSEC、RMSEP与RSEP值分别为0.0791,0.0208,0.0339,相关系数为0.9077;用所建金丝桃苷和异槲皮苷的定量分析模型预测验证集样品中的金丝桃苷和异槲皮苷含量,预测值与参考值的相对误差分别为-2.8%~2.9%、-5.1%~5.9%;对实际样品重复分析6次,金丝桃苷和异槲皮苷的预测值的相对标准偏差分别为2.7%,3.3%;将样品溶液放置0,1,2,3,6,12 h后进样,预测值的RSD分别为2.9%,3.4%.Quantitative analysis model based on near-infrared spectroscopy was developed for rapid prediction of hyperin and isoquercitrin in Miao medicine of the leaves of Toricellia Angulata Oliv.var.intermedia(Harms)Hu.After the sample was extracted with methanol by reflux in a water bath,the near-infrared spectrometer was used to collect the spectral information in the wavelength range of 1100-2300 nm by transmission method.Meanwhile,hyperin and isoquercitrin were determined by HPLC,and the results were used as reference values.The original spectra of hyperin and isoquercitrin were pretreated by the transformation SNV-smoothing and S-G first derivative.The quantitative analysis models of hyperin and isoquercitrin were constructed by partial least squares method(PLS)at 1100-2300 nm and 1100-1400 nm,respectively.Correlation coefficient,root mean square error of correction(RMSEC),root mean square error of prediction(RMSEP)and relative prediction deviation(RSEP)were used to investigate the performance of the model.The results showed that RMSEC,RMSEP and RSEP values of quantitative analysis model of hyperin were 0.2414,0.2705 and 0.1775,respectively,and correlation coefficient was 0.9136.RMSEC,RMSEP and RSEP values of quantitative analysis model of isoquercitrin were 0.0791,0.0208 and 0.0339,respectively,and correlation coefficient was 0.9077.The established quantitative analysis models of hyperin and isoquercitrin were used to predict the contents of hyperin and isoquercitrin in the validation set samples.The relative errors between predicted values and reference values were found in the ranges of-2.8%-2.9%and-5.1%-5.9%,respectively.After six repeated analysis of the actual samples,RSDs of the predicted values of hyperin and isoquercitrin were 2.7%and 3.3%,respectively.After placing the sample solution for 0,1,2,3,6,12 h,RSDs of the predicted values were 2.9%,3.4%,respectively.

关 键 词：近红外光谱法 偏最小二乘法 模型 金丝桃苷 异槲皮苷 水冬瓜叶 

分 类 号：O657.33[理学—分析化学]