陈科力,姚 琪.基于 siPLS 法建立藤茶中二氢杨梅素近红外定量分析方法[J].中南民族大学学报自然科学版,2018,(1):41-45
基于 siPLS 法建立藤茶中二氢杨梅素近红外定量分析方法
Quantitative Model for Dihydromyricetin in Ampelopsis grossedentataby Near Infrared Spectroscopy Based on siPLS
  
DOI:10.12130/znmdzk.20180109
中文关键词: 近红外光谱法  藤茶  二氢杨梅素  siPLS  高效液相色法  定量分析
英文关键词: near infrared spectroscopy  Ampelopsis grossedentata  dihydromyricetin  siPLS  HPLC  quantitative analysis
基金项目:重大新药创制国家科技重大专项“中药新药安全性检测技术与标准研究” (2014ZX09304307001)
作者单位
陈科力,姚 琪 湖北中医药大学 教育部中药资源和中药复方重点实验室武汉 430065 
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中文摘要:
      目的:建立藤茶中二氢杨梅素近红外定量模型,用于其快速定量分析.方法:采集 45 批藤茶样品的近红外光 谱,以高效液相色谱法测定样品中二氢杨梅素的含量,并作为参照,以组合区间偏最小二乘法(siPLS 法)对特征谱段 进行优化,建立二氢杨梅素的定量模型并对模型进行评价.结果:光谱预处理选用矢量归一化法(VN),确定9000~8500 cm-1,8000~7000 cm-1,6000~5500 cm-1为建模谱段.内部交叉验证中,校正均方差(RMSECV)为 2.38%,决定系 数(R2)为92.16%;外部验证中,模型对训练集预测均方差(RMSEE)为0.993%, 对验证集预测均方差(RMSEP)为 2.87%,其决定系数为 90.67%,相对预测偏差(RPD)为3.27.当样品中二氢杨梅素的含量范围为9.77%~46.13%时,平 均预测回收率为97.57%.结论:所建模型预测能力好,可用于藤茶中二氢杨梅素的快速定量分析.
英文摘要:
      Objective: To establish a NIR quantitative analysis model of Dihydromyricetin and a rapid method for the determination of Dihydromyricetin in Ampelopsis grossedentata. Methods: Using 45 batches of Ampelopsis grossedentata, 45 NIR spectral data were collected and preliminarily treated, the characteristic spectrum was optimized by the method of siPLS, the contents of dihydromyricetin were determinated as the reference category by the method of HPLC, a NIR quantitative model of dihydromyricetin was established to determinate the dihydromyricetin in Ampelopsis grossedentata in a rapid way.Results: The results showed that the root mean square error of cross-validation( RMSECV) was 2.38%, the coefficient of internal cross-validation of dihydromyricetin (R2 ) was 92.16%, the root mean square error of estimation (RMSEE) was 0.993%, the root mean square error prediction (RMSEP) was 2.87%, the coefficient of external validation of dihydromyricetin (R2) was 90. 67%, the relative prediction deviation ( RPD) was 3. 27, and the average predicted recoveries were 97.57% when the contents of dihydromyricetin ranged from 9.77% to 46.13%, and the spectral data got preprocessing by the method of VN in the calibration regions of 9000-8500 cm-1, 8000-7000 cm-1, and 6000-5500 cm-1.Conclusion: The structure of dihydromyricetin model is proved to be rational.The model provides an efficient approach for the rapid determination of dihydromyricetin in Ampelopsis grossedentata
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