摘要
基于近红外光谱(NIRS)技术,建立了一种能快速预测滇黄精多糖、总皂苷和总酚含量的定量分析模型。采用紫外可见分光光度法测定了116批滇黄精样品的上述3种有效成分含量。同时,利用NIRS技术采集样品近红外光谱,剔除异常光谱后,结合多元散射校正(MSC)、一阶导数(1stD)、二阶导数(2ndD)、S-G平滑法(S-G)等筛选最佳光谱预处理方式,并结合偏最小二乘法(PLS)建立了滇黄精中多糖、总皂苷和总酚的定量模型,通过外部验证,筛选出最佳定量模型。多糖、总皂苷和总酚分别选择MSC+2ndD+S-G、MSC+1stD+NS、MSC+1stD+S-G预处理方法,波长选择8000~4000 cm^(-1),主成分个数分别为6、13和13时,所建立的定量模型效果最佳,其校正集相关系数(R_(cal))分别为0.923、0.990和0.938,验证集相关系数(R_(pre))分别为0.924、0.901和0.910,相关性良好,预测均方根误差(RMSEP)分别为5.380%、0.478%和0.028 mg·g^(-1),性能偏差比(RPD)分别为2.11、2.16和1.95,平均相对偏差均小于2.0%。所建立的滇黄精定量模型准确可靠,证明NIRS技术是一种可行、准确、快速的无损检测方法,可用于滇黄精中有效成分含量的快速测定。
To establish a quantitative analytical model based on near infrared spectroscopy(NIRS)technique to rapidly predict the content of polysaccharides,total saponins and total phenols in Polygonatum kingianum Coll.et Hemsl.The contents of the three active ingredients of 116 batches of P.kingianum samples were determined by UV-Vis spectrophotometry.At the same time,the near infrared spectra of the samples were collected by NIRS technique,and after the anomalous spectra were eliminated,the optimal spectral model was selected by combining the multiplicative scattering correction(MSC),the first derivative(1stD),the second derivative(2ndD)and S-G smoothing(S-G)etc.were used to screen the optimal spectral preprocessing,and the partial least squares(PLS)method was used to establish the quantitative models of polysaccharides,total saponins and total phenols in P.kingianum,and the optimal quantitative models were screened by external validation.The best quantitative models were developed by choosing MSC+2ndD+S-G,MSC+1stD+NS,MSC+1stD+SG pretreatment methods for polysaccharides,total saponins and total phenols,respectively,with the wavenumbers of 8000-4000 cm^(-1) and the numbers of principal components of 6,13 and 13.The correlation coefficients of training set(R_(cal))is 0.923,0.990 and 0.938,respectively,and the correlation coefficients of verification set(R_(pre))is 0.924,0.901 and 0.910,respectively,which showed good correlation.The root mean square error of prediction(RMSEP)is 5.380%,0.478%,and 0.028 mg·g^(-1),and the ratio of performance to deviation(RPD)is 2.11,2.16 and 1.95,respectively.The average relative deviations were less than 2.0%.The established quantitative model of P.kingianum is accurate and reliable,which proves that the NIRS technique is a feasible,accurate and rapid nondestructive testing method for the rapid determination of the active ingredients in P.kingianum.
作者
徐萍
涂振华
米琪
邱昌桂
陆尤
罗文秀
余建新
陈佳
郑国伟
XU Ping;TU Zhen-hua;MI Qi;QIU Chang-gui;LU You;LUO Wen-xiu;YU Jian-xin;CHEN Jia;ZHENG Guo-wei(College of Chinese Medicine,Yunnan University of Chinese Medicine,Kunming 650500,China;Yunnan Comtestor CO,LTD.,Kunming 650106,China;Gongshan Agricultural and Rural Bureau Agricultural Comprehensive Development Service Center,Nujiang 673599,China;College of Ethnic Medicines,Yunnan University of Chinese Medicine,Kunming 650500,China)
出处
《分析测试学报》
CAS
CSCD
北大核心
2024年第11期1813-1820,共8页
Journal of Instrumental Analysis
基金
国家自然科学基金(82360751)
云南中医药大学高层次人才计划(2019YZG07)
云南省“兴滇英才支持计划”青年人才(XDYC-QNRC-2022-0277)
云南省科技计划项目基础研究计划(202001AZ070001-027)
云南省科技计划项目基础研究专项(202301AT070257)。
关键词
滇黄精
多糖
总皂苷
总酚
近红外光谱
定量分析模型
Polygonatum kingianum Coll.et Hemsl
polysaccharide
total saponins
total phenols
near infrared spectroscopy
quantitative analysis model
