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基于近红外光谱法对五倍子主成分含量的快速检测

Rapid Determination of Main Component Content of Chinese Gallnut Based on Near Infrared Spectroscopy

  • 摘要: 水分、单宁酸和没食子酸含量是评价五倍子质量的重要指标,目前多采用中华人民共和国林业行业标准的方法获得,繁琐且时效性得不到保证。为了探讨快速测量这些指标的可行性,通过采集五倍子样本130份,采用化学法测量化学值,利用近红外光谱技术进行五倍子样本的光谱扫描,将其与传统方法测定的化学值进行拟合,采用偏最小二乘法(PLS)构建数学模型,对比模型相关系数和误差评估模型预测性能。最终得到五倍子中水分、单宁酸和没食子酸的最佳预处理方法分别为FD+MSC、FD和FD+ML,水分的特征波段为9 403.7~7 498.2、6 012.0~5 774.1、4 601.5~4 246.7 cm-1,单宁酸的特征波段为9 403.7~7 498.2、6 102.0~4 597.7 cm-1,没食子酸的特征波段为6 102.0~5 446.3,4 601.5~4 246.7 cm-1;主因子数分别为9、10和5;水分、单宁酸和没食子酸校正集相关系数(Rc2)分别为0.968、0.915和0.926,交叉验证均方根误差(RMSECV)分别为0.72%、2.55%和1.47%,相对分析误差(RPD)分别为5.57%、3.42%和3.69%;验证集相关系数(Rp2)分别为0.951、0.891和0.891,预测均方根误差(RMSEP)分别为0.563%、1.28%和0.414%。分析结果表明利用近红外光谱法结合化学计量学方法对五倍子中水分、单宁酸和没食子酸含量的检测具有可行性并达到很好的效果。

     

    Abstract: The content of moisture, tannic acid and gallic acid was an important index to evaluate the quality of Chinese gallnut. Generally, it was determined according to the forestry industry standard of the People's Republic of China, which was cumbersome and its timeliness was not guaranteed. In order to study the feasibility of rapid detection of these indicators, 130 Chinese gallnut samples were collected, and chemical values were determined by chemical method. NIR spectroscopy was used to scan Chinese gallnut samples, which was fitted with chemical values measured by traditional methods. The partial least squares(PLS) was used to build a mathematical model, and the correlation coefficient and error of the model were compared to evaluate the prediction performance of the model. The optimal pretreatment methods for moisture, tannic acid and gallic acid in gallnut were FD+MSC, FD and FD+ML, respectively. The characteristic bands of moisture were 9 403.7-7 498.2, 6 012.0-5 774.1, 4 601.5-4 246.7 cm-1, the characteristic bands of tannic acid were 9 403.7-7 498.2, 6 102.0-4 597.7 cm-1, and the characteristic bands of gallic acid were 6 102.0-5 446.3, 4 601.5-4 246.7 cm-1, respectively. The number of principal factors were 9, 10 and 5, respectively. The correlation coefficients of corrected sets(Rc2) for moisture, tannic acid and gallic acid were 0.968, 0.915 and 0.926, the root mean square error of cross validation(RMSECV) were 0.72%, 2.55% and 1.47%, and the relative percent deviation(RPD) were 5.57%, 3.42% and 3.69%, respectively. The correlation coefficients of validation sets(Rp2) were 0.951, 0.891 and 0.891, and root mean square error of prediction(RMSEP) were 0.563%, 1.28% and 0.414%, respectively. The results showed that it was feasible and effective to detect the content of moisture, tannic acid and gallic acid in Chinese gallnut by NIR combined with chemometrics.

     

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