傅里叶变换红外光谱结合化学计量法对香附水分、灰分和浸出物的快速测定  

Rapid Determination of Moisture,Ash and Extractive in Cyperus rotundus Based on Fourier Transform Infrared Spectroscopy

作　　者：乔璐[1] 符佳豪 侯益民[1] 李雪菊[1] 赵博宇 董诚明[1] 张园园 吕芳 QIAO Lu;FU Jia-hao;HOU Yi-min;LI Xue-ju;ZHAO Bo-yu;DONG Cheng-ming;ZHANG Yuan-yuan;LV Fang(College of Pharmacy,Henan University of Chinese Medicine,Zhengzhou 450046,Henan,China;Institute of Botany,Jiangsu Province and Chinese Academy of Sciences,Nanjing 210014,Jiangsu,China)

机构地区：[1]河南中医药大学药学院,河南郑州450046 [2]江苏省中国科学院植物研究所,江苏南京210014

出　　处：《食品研究与开发》2020年第21期161-166,共6页Food Research and Development

基　　金：国家重点研发计划资助项目(2017YFC1702800);河南省重大科技专项资助项目(171100310500);河南中医药大学博士科研基金项目(BSJJ2014-01)。

摘　　要：建立基于傅里叶变换红外光谱的香附水分、灰分和浸出物的快速测定模型。运用ANTARIS II FT-NIR Analyzer对60个香附样品进行近红外光谱采集。依照2015版药典中的方法测得60个香附样品的水分、灰分以及浸出物含量数据。运用TQ Analyst软件对所得香附的近红外光谱与试验所得的香附样品的水分、灰分以及浸出物含量数据建立快速测定的模型。所建立的香附水分、灰分、浸出物含量快速测定模型能较准确地对香附水分、灰分、浸出物含量进行识别与验证。其中香附水分含量模型R2为0.9027,校正集预测均方差(root mean square error of calibration,RMSEC)为0.774,预测集的预测均方差(root mean square error of prediction,RMSEP)为0.521;香附灰分含量模型R2为0.9884,RMSEC为0.0619,RMSEP为0.0585;香附浸出物含量模型R2为0.8903,RMSEC为1.25,RMSEP为2.33。所建立的模型能够较准确地实现香附水分、灰分、浸出物含量的快速测定。A rapid determination model of Cyperus rotundus moisture,ash and extractive based on Fourier transform infrared spectroscopy(FTIR)was established.The near infrared spectra of 60 samples were collected by ANTARIS II FT-NIR Analyzer.The moisture,ash and extractive content data of 60 samples were measured by the method in the 2015 edition of pharmacopoeia.A rapid model for the determination of moisture,ash and extractive content was established by using TQ Analyst software to determine the moisture,ash and extract content of all the samples obtained from the experiment and the near infrared spectra of Cyperus rotundus.The established Cyperus rotundus rapid determination model of moisture,ash and extractive content could accurately identify and verify the moisture,ash and extractive content of Cyperus rotundus.The water content model of Cyperus rotundus was 0.9027,root mean square error of calibration(RMSEC)was 0.774,root mean square error of prediction(RMSEP)was 0.521,the ash content model of Cyperus rotundus was 0.9884,RMSEC was 0.0619,RMSEP was 0.0585,the content model of Cyperus rotundus extractive was 0.8903,RMSEC was 1.25 and RMSEP was 2.33.The established model could accurately determine the content of moisture,ash and extractive,which provides a theoretical basis for the establishment of the quality standard of Cyperus rotundus.

关 键 词：傅里叶变换红外光谱 香附 水分 灰分 浸出物 预测模型 

分 类 号：O657.33[理学—分析化学] R284.1[理学—化学]