摘要
目的:建立锁阳中19种无机元素含量的近红外光谱(NIR)快速测定模型,筛选适宜采用NIR技术进行测定的元素。方法:采集5个省(区)的82批锁阳样品,采用积分球漫反射方式采集样品的NIR原始光谱,采用电感耦合等离子体-质谱(ICP-MS)法测定Na、K、Ca、Mg、Fe、Zn、Mn、Co、Sr、Ni、Ag、Ba、Ti、Pb、Cr、Cd、As、Hg、Cu等19种无机元素含量的化学参考值,筛选预处理原始光谱的化学计量学方法,筛选最佳波段及因子数,以偏最小二乘法(PLS)建立NIR定量分析模型。结果:K、Ca、Mg、Mn、Co、Sr、Ti、Cr元素的决定系数R^(2)及交叉验证R^(2)均大于0.9,校正均方差(RMSEC)、预测均方差(RMSEP)及留一法交叉验证均方差(RMSECV)在0.52~2.20之间,模型预测值与真实值之间具有较好的相关性,预测性能较好;Ni、Zn元素的决定系数R^(2)及交叉验证R^(2)在0.8~0.9之间,RMSEC、RMSEP及RMSECV在0.49~1.41之间,预测值与真实值之间的相关性一般;Cu元素的决定系数R^(2)及交叉验证R^(2)在0.7~0.8之间,Na、Fe、Ag、Ba、Pb、Cd、As、Hg元素的决定系数R^(2)及交叉验证R^(2)均小于0.7,此9种元素的RMSEC、RMSEP及RMSECV在1.13~10.75之间,预测值与真实值之间的相关性较差。K、Ca、Mg、Mn、Co、Sr、Ti、Cr等8种元素的模型预测值和真实值之间的相对误差在0.04%~7.62%之间,平均预测回收率在94.12%~108.45%之间,预测值与真实值之间无显著性差异(P>0.05)。结论:锁阳中K、Ca、Mg、Mn、Co、Sr、Ti、Cr元素含量适宜采用NIR技术进行快速测定。
Objective:To establish rapid near-infrared spectroscopy(NIR)model for the determination of 19 inorganic element contents in Cynomorii Herba,and to screen the suitable elements for determination by NIR technology.Methods:82 batches of Cynomorii Herba from 5 regions were collected.The original NIR spectra were collected by integral sphere diffuse reflection.The chemical reference values of the content of 19 elements including Na,K,Ca,Mg,Fe,Zn,Mn,Co,Sr,Ni,Ag,Ba,Ti,Pb,Cr,Cd,As,Hg and Cu were determined by inductively coupled plasma-mass spectrometry(ICP-MS).The chemometric method for preprocessing original spectrum,the optimal bands and factor number were screened,and NIR quantitative analysis model was established by partial least squares(PLS).Results:The coefficient of determination R^(2) and cross-validation R^(2) of elements such as K,Ca,Mg,Mn,Co,Sr,Ti,and Cr were all greater than 0.9,and the root mean square error of calibration(RMSEC),root mean square error of prediction(RMSEP)and root mean square error of cross validation(RMSECV)were between 0.52 and 2.20,which showed good correlations and better prediction performance.The coefficient of determination R^(2) and cross-validation R^(2) of Ni and Zn elements were between 0.8 and 0.9,and the RMSEC,RMSEP and RMSECV were between 0.49 and 1.41,which showed general correlations.The coefficient of determination R^(2) and cross-validation R^(2) of Cu element were between 0.7 and 0.8,and Na,Fe,Ag,Ba,Pb,Cd,As,and Hg elements were all less than 0.7.The RMSEC,RMSEP and RMSECV of these 9 elements were between 1.13 and 10.75,and the correlations were poor.The relative errors between predicted values and true value of 8 elements including as K,Ca,Mg,Mn,Co,Sr,Ti,and Cr were between 0.04%and 7.62%,and the average predicted recovery rates were between 94.12%and 108.45%.There were no significant differences between predicted values and true values(P>0.05).Conclusion:The contents of K,Ca,Mg,Mn,Co,Sr,Ti,and Cr elements in Cynomorii Herba were suitable for rapid determination by NIR technology.
作者
顾志荣
祁梅
杨浩
郭燕
葛斌
Gu Zhirong;Qi Mei;Yang Hao;Guo Yan;Ge Bin(Department of Pharmacy,Gansu Provincial People's Hospital,Lanzhou 730000,China;College of Pharmacy,Gansu University of Chinese Medicine,Lanzhou 730000,China)
出处
《中国野生植物资源》
CSCD
2024年第2期46-51,共6页
Chinese Wild Plant Resources
基金
甘肃省青年科技基金计划项目(21JR7RA634)
甘肃省药品监督管理局药品监管科学研究项目(2023GSMPA046)
甘肃省自然科学基金项目(20JR5RA154)。
关键词
锁阳
无机元素
近红外光谱
偏最小二乘
快速测定
Cynomorii Herba
Inorganic element
Near-infrared spectroscopy
Partial least squares
Rapid determination
