Models Based on Near-Infrared Spectroscopy for Rapid Prediction of Hyperin and Isoquercitrin in Miao Medicine of Leaves of Toricellia Angulata Oliv.var.intermedia (Harms) Hu
摘 要
基于近红外光谱法建立的定量分析模型快速预测苗药水冬瓜叶中金丝桃苷和异槲皮苷。样品经甲醇水浴回流提取后,采用近红外光谱仪以透射法采集其1 100~2 300 nm波长范围内的光谱信息,同时用高效液相色谱法测定金丝桃苷和异槲皮苷的含量,结果作为参考值。分别以标准正态变量交换法-平滑法(SNV-Smoothing)和一阶微分法(S-G first derivative)预处理金丝桃苷和异槲皮苷的原始光谱,以偏最小二乘法(PLS)分别在1 100~2 300 nm和1 100~1 400 nm波段内构建金丝桃苷和异槲皮苷的定量分析模型,并以相关系数、校正均方根误差(RMSEC)、预测均方根误差(RMSEP)、预测相对偏差(RSEP)来考察模型性能。结果显示:金丝桃苷定量分析模型的RMSEC、RMSEP与RSEP值分别为0.241 4,0.270 5,0.177 5,相关系数为0.913 6;异槲皮苷定量分析模型的RMSEC、RMSEP与RSEP值分别为0.079 1,0.020 8,0.033 9,相关系数为0.907 7;用所建金丝桃苷和异槲皮苷的定量分析模型预测验证集样品中的金丝桃苷和异槲皮苷含量,预测值与参考值的相对误差分别为-2.8%~2.9%、-5.1%~5.9%;对实际样品重复分析6次,金丝桃苷和异槲皮苷的预测值的相对标准偏差分别为2.7%,3.3%;将样品溶液放置0,1,2,3,6,12 h后进样,预测值的RSD分别为2.9%,3.4%.
Abstract
Quantitative analysis model based on near-infrared spectroscopy was developed for rapid prediction of hyperin and isoquercitrin in Miao medicine of the leaves of Toricellia Angulata Oliv.var.intermedia (Harms) Hu. After the sample was extracted with methanol by reflux in a water bath, the near-infrared spectrometer was used to collect the spectral information in the wavelength range of 1 100-2 300 nm by transmission method. Meanwhile, hyperin and isoquercitrin were determined by HPLC, and the results were used as reference values. The original spectra of hyperin and isoquercitrin were pretreated by the transformation SNV-smoothing and S-G first derivative. The quantitative analysis models of hyperin and isoquercitrin were constructed by partial least squares method (PLS) at 1 100-2 300 nm and 1 100-1 400 nm, respectively. Correlation coefficient, root mean square error of correction (RMSEC), root mean square error of prediction (RMSEP) and relative prediction deviation (RSEP) were used to investigate the performance of the model. The results showed that RMSEC, RMSEP and RSEP values of quantitative analysis model of hyperin were 0.241 4, 0.270 5 and 0.177 5, respectively, and correlation coefficient was 0.913 6. RMSEC, RMSEP and RSEP values of quantitative analysis model of isoquercitrin were 0.079 1, 0.020 8 and 0.033 9, respectively, and correlation coefficient was 0.907 7. The established quantitative analysis models of hyperin and isoquercitrin were used to predict the contents of hyperin and isoquercitrin in the validation set samples. The relative errors between predicted values and reference values were found in the ranges of -2.8%-2.9% and -5.1%-5.9%, respectively. After six repeated analysis of the actual samples, RSDs of the predicted values of hyperin and isoquercitrin were 2.7% and 3.3%, respectively. After placing the sample solution for 0, 1, 2, 3, 6, 12 h, RSDs of the predicted values were 2.9%, 3.4%, respectively.
中图分类号 O657.33 DOI 10.11973/lhjy-hx202111008
所属栏目 工作简报
基金项目 贵州省自然科学技术基金(黔科合基础[2020]1Y390号)
收稿日期 2021/6/9
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备注韩忠耀,副教授,硕士,主要从事中药、民族药质量控制等方面的研究,317230913@qq.com
引用该论文: HAN Zhongyao,WEN Chaoxu,LI Yan,MENG Huitong,DENG Xiankuo,HU Zhiping,LU Yang,TIAN Hao,WANG Wanle. Models Based on Near-Infrared Spectroscopy for Rapid Prediction of Hyperin and Isoquercitrin in Miao Medicine of Leaves of Toricellia Angulata Oliv.var.intermedia (Harms) Hu[J]. Physical Testing and Chemical Analysis part B:Chemical Analysis, 2021, 57(11): 1011~1016
韩忠耀,文朝旭,李燕,蒙慧彤,邓先扩,胡志平,卢洋,田浩,王万乐. 基于近红外光谱法建立的模型快速预测苗药水冬瓜叶中金丝桃苷和异槲皮苷[J]. 理化检验-化学分册, 2021, 57(11): 1011~1016
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【4】韩忠耀, 向军, 陈建宇, 等.不同产地水冬瓜叶HPLC指纹图谱建立、化学模式识别分析及含量测定[J].中国药房, 2021, 32(10):1224-1229.
【5】张锦文, 郭洁茹, 唐菲, 等.大接骨丹化学成分研究[J].中药材, 2010, 33(11):1725-1727.
【6】韩忠耀, 宋伟, 李燕, 等.黔产大接骨丹药材不同用药部位中紫丁香苷和总黄酮含量的经时变化特征分析[J].中国药房, 2020, 31(17):2124-2128.
【7】王燕燕, 涂念, 张勇慧, 等.大接骨丹化学成分研究(Ⅱ)[J].中草药, 2009, 40(10):1551-1553.
【8】韩忠耀, 胡恩明, 邓先扩, 等.基于HPLC-HESI-HRMS的水冬瓜根皮化学成分分析[J].食品工业科技, 2021, 42(17):16-23.
【9】吴少华, 马云保, 罗晓东, 等.大接骨丹的化学成分[J].云南植物研究, 2000, 22(2):214-218.
【10】陈华栋, 张锦文, 张勇慧.大接骨丹干燥树皮抗炎镇痛活性有效部位筛选[J].海峡药学, 2012, 24(2):29-30.
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【14】王宝贺, 杨仁杰, 杨延荣, 等.二维近红外-中红外相关谱在掺假芝麻油判别中的应用[J].理化检验-化学分册, 2017, 53(2):134-138.
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【16】韩忠耀, 王传明, 宋伟, 等.水冬瓜叶的生药学及其近红外快速鉴别技术研究[J].林产工业, 2021, 58(4):59-63.
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【21】韩忠耀, 余跃生, 董海平, 等.声光可调滤光器-近红外光谱法快速测定苗药水冬瓜根皮药材中总黄酮和浸出物的含量[J].理化检验-化学分册, 2019, 55(6):668-671.
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