基于NIRS快速测定火炭母水分和浸出物的含量  

Based NIRS Determination of Moisture Content and Extract in Polygonum Chinense Rapidly

作　　者：雪奕怡 李智勇 徐文杰 王思丰 李璧竹 陈泳琳 张建军 XUE Yi-yi;LI Zhi-yong;XU Wen-jie;WANG Si-feng;LI Bi-zhu;CHEN Yong-lin;ZHANG Jian-jun(The Fifth Clinical School of Guangzhou University,Guangzhou University of Chinese Medicine,Guangzhou 510080,China;Guangdong Academy of Traditional Chinese Medicine Engineering Technology,Guangdong Second Hospital of Traditional Chinese Medicine,Guangzhou 510095,China;Guangdong Provincial Key Laboratory of Research and Development in Traditional Chinese Medicine,Guangzhou 510095,China)

机构地区：[1]广州中医药大学第五临床医学院,广东广州510080 [2]广东省第二中医院广东省中医药工程技术研究院,广东广州510095 [3]广东省中医药研究开发重点实验室,广东广州510095

出　　处：《化学试剂》2024年第8期66-71,共6页Chemical Reagents

摘　　要：建立快速简便测定火炭母水分和浸出物含量的方法。采用近红外光谱(NIRS)结合化学计量法偏最小二乘法(PLS)将光谱信息与火炭母水分和浸出物含量相关联,优选波段、预处理方法、主因子数,建立最佳定量模型,并进行外部验证。火炭母水分和浸出物模型的R cv分别为0.9187、0.9302;RMSEC分别为0.2108、0.5144;RMSECV分别为0.2716、0.7941;模型预测RMSEP分别为0.0028、0.0103;R P分别为0.9993、0.9984;RPD分别为3.97、4.29;最佳主因子数分别为6、7。证明两种模型具有良好的准确性和稳定性。其模型的预测值和实测值均无显著性差异(P>0.05)。建立的定量模型可用于预测火炭母的水分和浸出物含量,为火炭母的质量控制提供了一种简便、快速、环保的方法。Establishing a rapid and simple method to determinate the moisture content and extract of Polygonum chinense.Near-infrared spectroscopy(NIRS)combined with chemometric partial least square method(PLS),was used to correlate spectral information with the moisture content and extract of the Polygonum chinense L..By optimize the number of wavelength bands,pre-processing methods and principal factors,an optimal quantitative model was established,followed by external validation.The R cv of the model for the moisture and extract of the Polygonum chinense were 0.9187 and 0.9302,respectively;the RMSEC were respectively 0.2108 and 0.5144;the RMSECV were 0.2716 and 0.7941,respectively;the prediction of model RMSEP were 0.0028 and 0.0103,respectively;the R P were 0.9993 and 0.9984,respectively;the RPD were 3.97 and 4.29,respectively;and the optimal number of principal factors were 6 and 7,respectively.The results proved that the two models had good accuracy and stability.There was no significant difference between the predicted and measured values of models(P>0.05).The established quantitative model can be used to predict the moisture content and extract of Polygonum chinense L.,which provides a simple,rapid and eco-friendly method for the quality control of Polygonum chinense.

关 键 词：火炭母 近红外光谱 偏最小二乘法 定量模型 浸出物 水分 

分 类 号：R282-65[医药卫生—中药学]