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采用近红外漫反射光谱法和化学计量学快速测定山楂果实的化学成分和抗氧化活性。

Rapid determination of chemical components and antioxidant activity of the fruit of Crataegus pinnatifida Bunge by NIRS and chemometrics.

机构信息

School of Traditional Chinese Medicine, Guangdong Pharmaceutical University, Guangzhou 510006, PR China.

School of Pharmacy, Guangdong Pharmaceutical University, Guangzhou 510006, PR China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2023 Mar 15;289:122215. doi: 10.1016/j.saa.2022.122215. Epub 2022 Dec 7.

Abstract

OBJECTIVE

To establish a method for quality evaluation of the fruit of Crataegus pinnatifida Bunge, also known as Shanzha, by near-infrared spectroscopy combined with chemometrics.

METHOD

Seventy-two batches of Shanzha samples were collected, and the content of total components (flavonoids, phenols and organic acids), monomer components (chlorogenic acid, hyperoside and isoquercitrin), as well as the antioxidant activity of 60% ethanol extract were determined by usual methods. Then, all measured values were correlated with the near infrared spectra of Shanzha, and the partial least squares regression models were established. As to improve the model performance, various methods for spectra pretreatment and wavelength selection were investigated.

RESULTS

After optimization, the models obtained the coefficients of determination in both calibration and prediction >0.9, and the residual prediction deviations >3, indicating that the models had good prediction abilities.

CONCLUSION

The present method can serve as an alternative to the methods for comprehensive and rapid quality evaluation of Shanzha.

摘要

目的

建立一种基于近红外光谱结合化学计量学的山楂果实质量评价方法。

方法

采集 72 批山楂样品,采用常规方法测定总成分(黄酮类、酚类和有机酸)、单体成分(绿原酸、金丝桃苷和异槲皮苷)以及 60%乙醇提取物的抗氧化活性。然后,将所有测定值与山楂的近红外光谱相关联,建立偏最小二乘回归模型。为了提高模型性能,研究了不同的光谱预处理和波长选择方法。

结果

经过优化,校正和预测模型的决定系数均大于 0.9,预测残差偏差均大于 3,表明模型具有良好的预测能力。

结论

该方法可作为山楂综合快速质量评价的替代方法。

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