Determination of polyphenols and flavonoids content in pomegranate peels by near infrared reflectance spectroscopy
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摘要: 为实现石榴果皮多酚及黄酮的快速检测,以采摘自陕西临潼石榴产区的102个新鲜石榴为研究对象,采用近红外光谱技术进行检测。为达到最佳数学模型,采用随机、KS和SPXY样本集划分方法,多元散射校正、标准正态变量交换、一阶导数和二阶导数、多元散射校正+二阶导数和标准正态变量交换+二阶导数多种预处理方法,竞争适应性重赋权重采样法和连续投影法对所建模型进行优化比较。结果表明,经SPXY样本划分,多元散射校正+二阶导数（多酚）、二阶导数（2,4,3）（黄酮）,蒙特卡洛交叉验证法异常值剔除;竞争适应性重赋权重采样法波段选取,石榴果皮多酚和黄酮含量的偏最小二乘模型最好,多酚校正集和预测集样品的决定系数为0.9699和0.9341;黄酮校正集和预测集样品的决定系数为0.9775、0.9540。近红外光谱对石榴果皮多酚及黄酮的快速检测是可行的。Abstract: This study aimed to achieve a rapid determination for contents of polyphenols and flavonoids in pomegranate peels.And 102 samples collected from Lintong district of Shaanxi Province were determined by near infrared reflectance spectroscopy. To acquire best mathematical models, methods with sample division, pretreatment and band selection were compared. The results showed that the best model of polyphenols was built with sample division using SPXY, spectral pretreatment using multiple scattering correction + Savitzky-Golay derivatives ( 2, 4, 3) , removing outliers by Monte Carlo cross validation ( MCCV) , and effective wavenumbers chosen by competitive adaptive reweighted sampling ( CARS) . The coefficients of determination of calibration ( R2C) and prediction ( R2P) for the best model were 0.9699 and 0.9341.The best model of flavonoids was built with sample division using SPXY, spectral pretreatment using Savitzky-Golay Derivatives ( 2, 4, 3) , removing outliers by MCCV, and effective wavenumbers chosen by CARS. The coefficients of determination of calibration ( R2C) and prediction ( R2P) for the best model were 0.9775 and 0.9540.Above results indicate that polyphenols and flavonoids contents in pomegranate peels could be determined quickly by near infrared reflectance spectroscopy.
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Keywords:
- pomegranate peels /
- polyphenols /
- flavonoids /
- near infrared spectroscopy
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