红外光谱结合化学计量学对三七总黄酮含量的快速预测研究
发布时间：2019-08-11 13:17
【摘要】：中药产地及生长环境的改变会对其次生代谢产物、质量产生整体性影响。近年来,三七产地从道地产地文山扩展到周边县市。为保证三七质量,中国药典以三种皂苷含量为指标对三七进行质量控制,指标较为单一,难以对三七质量进行整体性评价。通过紫外-可见分光光度法测定三七总黄酮含量,傅里叶变换红外光谱结合化学计量学建立三七总黄酮含量快速预测模型;为三七快速及整体性质量控制提供研究基础。采集云南省12个产地96个三七样品的紫外与红外光谱。记录样品紫外光谱268nm处吸光度,结合芦丁标准品线性方程计算样品中总黄酮含量。预处理红外光谱数据采用一阶(1D)、二阶导数(2D)结合SavitskyGolay平滑(7点、9点和11点)处理,Kennard-stone算法将96个个体分为2/3训练集与1/3预测集。训练集数据用于正交信号校正偏最小二乘回归(OSC-PLSR)模型的建立,1/7交叉验证用于筛选最佳主成分数,预测集数据对OSC-PLSR模型预测能力进行验证。结果显示:(1)标准品芦丁在268nm处吸光度与浓度相关系数r=0.999 7,线性浓度范围为5.6~72.0μg·mL~(-1),线性关系良好;(2)道地产区文山州3个产地以及曲靖市罗平、昆明市石林等产地三七总黄酮含量较高,平均含量高于7mg·g-1;(3)相同点数SavitskyGolay平滑之后,二阶导数模型预测能力优于一阶导数,不同处理模型预测能力具有较大差别;(4)预测模型中,2D+SG 7+OSC-PLSR(R2pre=0.976 1,RMSEP=0.325 2)与2D+SG 11+OSC-PLSR(R2pre=0.946 9,RMSEP=0.382 0)模型预测效果较好,RMSEP均小于0.4,预测值与检测值接近。傅里叶变换红外光谱结合OSC-PLSR能够对12个产地三七中总黄酮含量进行快速准确的预测,为三七整体性质量控制提供一种快速、简便、有效的检测方法。
[Abstract]:The change of origin and growth environment of traditional Chinese medicine will have a holistic effect on the secondary metabolites and quality of traditional Chinese medicine. In recent years, the producing area of Panax notoginseng has expanded from Wenshan, the place of origin, to the surrounding counties and cities. In order to ensure the quality of Panax notoginseng, the Chinese Pharmacopoeia took the content of three kinds of saponins as the index to control the quality of Panax notoginseng, which was relatively single, so it was difficult to evaluate the quality of Panax notoginseng as a whole. The content of total flavonoids in Panax notoginseng was determined by UV-vis spectrophotometry, and the rapid prediction model of total flavonoids content of Panax notoginseng was established by Fourier transform infrared spectroscopy combined with chemometrics, which provided the research basis for the rapid and integral quality control of Panax notoginseng. The UV and IR spectra of 96 Panax notoginseng samples from 12 producing areas in Yunnan Province were collected. The absorbance at 268nm of UV spectrum of the sample was recorded, and the content of total flavonoids in the sample was calculated according to the linear equation of rutin standard product. The preprocessing infrared spectral data were processed by first order (1D), second derivative (2D) combined with SavitskyGolay smoothing (7 points, 9 points and 11:00). 96 individuals were divided into 2 鈮，
本文编号：2525317
[Abstract]:The change of origin and growth environment of traditional Chinese medicine will have a holistic effect on the secondary metabolites and quality of traditional Chinese medicine. In recent years, the producing area of Panax notoginseng has expanded from Wenshan, the place of origin, to the surrounding counties and cities. In order to ensure the quality of Panax notoginseng, the Chinese Pharmacopoeia took the content of three kinds of saponins as the index to control the quality of Panax notoginseng, which was relatively single, so it was difficult to evaluate the quality of Panax notoginseng as a whole. The content of total flavonoids in Panax notoginseng was determined by UV-vis spectrophotometry, and the rapid prediction model of total flavonoids content of Panax notoginseng was established by Fourier transform infrared spectroscopy combined with chemometrics, which provided the research basis for the rapid and integral quality control of Panax notoginseng. The UV and IR spectra of 96 Panax notoginseng samples from 12 producing areas in Yunnan Province were collected. The absorbance at 268nm of UV spectrum of the sample was recorded, and the content of total flavonoids in the sample was calculated according to the linear equation of rutin standard product. The preprocessing infrared spectral data were processed by first order (1D), second derivative (2D) combined with SavitskyGolay smoothing (7 points, 9 points and 11:00). 96 individuals were divided into 2 鈮，
本文编号：2525317
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