声光可调-近红外光谱技术快速评价牡丹皮药材质量

目的： 利用声光可调-近红外光谱技术，建立快速评价牡丹皮药材质量的方法。方法： 收集药材样本量60批次，采用SNAP光谱采集软件比率模式进行光谱采集。参照2015年版《中华人民共和国药典》第一部牡丹皮药材项下指标检测方法，测定其水分、浸出物、丹皮酚含量，即得化学值。采用The Unscrambler分析软件，将近红外光谱与化学值相关联，以偏最小二乘法（PLS）和交叉-验证法（cross-validation）建立牡丹皮药材中水分、浸出物、丹皮酚的定量校正模型。结果： 牡丹皮药材3个定量模型内外部验证相关系数均大于0.90，校正均方根偏差（RMSEC）分别为0.063 7、0.100 8、0.289 3，预测均方根偏差（RMSEP）分别为0.093 3、0.143 7、0.432 7，定量模型对外部验证结果进行显著性t检验，表明3个指标预测值与化学值之间无显著性差异。结论： 该方法快速、准确、无损，可用于牡丹皮药材质量的快速评价。

Objective: To establish the method based on near infrared-acousto-optic turnable filter(AOTF-NIR)for rapid quality evaluation of Moutan Cortex. Methods: The SNAP spectral acquisition program ratio mode was used for spectral acquisition of 60 batches medicinal materials. The values of moisture,extract content and paeonol in Moutan Cortex were determined by methods in the first part of Pharmacopoeia of the People's Republic of China (2015). NIR spectroscopy and chemical values were correlated by the Unscrambler program. The samples were analyzed by partial least square (PLS) and cross-validation algorithm were used to establish the quantitative correction model of moisture,extract content and paeonol. Results: The correlation coefficients of three quantitative models were all above 0.90,the root mean square error of calibration (RMSEC) were 0.063 7,0.100 8 and 0.289 3,the root mean square error of prediction(RMSEP)were 0.093 3,0.143 7 and 0.432 7,respectively. The t-test of external validation showed no significant difference between predictive and the chemical value. Conclusion The method is rapid,accurate,non-destructive,and can be used for rapid quality evaluation of Moutan Cortex.

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