近红外漫反射光谱法快速测定蕨菜多糖含量的研究

    Rapid Determination of Polysaccharide in Pteridium Aquilinum by Near Infrared Diffuse Reflectance Spectroscopy

    • 摘要: 目的 构建运用近红外光谱快速测定蕨菜总多糖含量的方法。方法 收集蕨菜样品140份,采用近红外光谱分析技术,采集11500~4000 cm-1内的近红外光谱。以蒽酮-硫酸比色法测定的总多糖含量作为参比值,以偏最小二乘法构建蕨菜总多糖定量分析模型。比较不同的光谱预处理方法(包括消除常数偏移量法、直线差值法、最值归一化法、多元散射校正法、标准正态变换法、一阶导数法、二阶导数法、多元散射校正+一阶导数法以及标准正态变换+一阶导数法)对定量分析模型的影响,确定最佳光谱预处理方法;并对建模的波段进行了优化。结果 选择标准正态变换法对原始光谱数据进行预处理,选择4450~4300cm-1,5250~4700 cm-1,7500~5750 cm-1,10000~9000 cm-1作为建模波段,获得最优模型,相关系数R2=0.9851,交叉验证均方根误差RMSECV为0.129%。完全外部验证显示,构建的模型对蕨菜多糖含量预测回收率平均为100.13%。结论 所建快速预测模型能够准确测定蕨菜总多糖含量,可为其他中药材主要成分含量快速测定提供候选方法。

       

      Abstract: OBJECTIVE To construct a rapid prediction method for the determination of total polysaccharide content in Pteridium aquilinum by near-infrared spectroscopy. METHODS A total of 140 samples were collected, and the infrared spectrum in the range of 11500-4000 cm-1 was collected by near-infrared spectroscopy technology through near-infrared diffuse reflection. The total polysaccharide content was determined by anthrone-sulfuric acid method as the actual value. The quantitative analysis model was established using the partial least squares method. The effects of different spectral preprocessing methods (including constant offset elimination, straight line subtraction, max min normalization, multiplication signal correction, standard normal variable, first derivative, second derivative, multiple scattering correction+first derivative method and standard normal variate + first derivative method) on the quantitative analysis model were compared to determine the best spectral pretreatment method, and to optimize the band of modeling. RESULTS The results show that when the standard normal variable method was used as the spectral data preprocessing method, 4450-4300 cm-1, 5250-4700 cm-1, 7500-5750 cm-1, 10000-9000 cm-1 were used as the interval bands, this model had the best performance, detection model R2 and RMSECV were 0.985 1 and 0.129%, respectively. Through complete external validation, the average predicted recovery rate of the model was 100.13%. CONCLUSION The established rapid prediction model can accurately determine the total polysaccharide content of pteridium aquilinum, and can provide a candidate method for rapid determination of the main components of other traditional Chinese medicine.

       

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