摘要
目的：建立近红外光谱（NIR）定量模型快速测定当归中正丁基苯酞含量的方法。方法采集甘肃及云南14个县级主产区的145批当归样本,将全归阴干,以反相高效液相色谱二极管阵列检测器（RP-HPLC-DAD）测定的正丁基苯酞含量为化学参考值,以积分球漫反射方式扫描NIR,采用偏最小二乘（PLS）法在7415～4056 cm-1波数范围建立定量校正模型。结果所建模型对校正集样品的预测值和真实值之间的相关系数（Rc）、校正均方差（RMSEC）、预测均方差（RMSEP）、交叉验证相关系数（Rcv）、交叉验证均方差（RMSECV）和平均预测回收率分别为0.9767、0.6143、0.7065、0.8978、1.1554和102.08%。结论该模型的预测结果准确、可靠,可用于当归中正丁基苯酞含量的快速测定。
Objective To establish a quantitative model to rapidly determine content of 3-butylphthalide in Angelicae Sinensis Radix based on near-infrared diffuse reflectance spectroscopy （NIR）. Methods Totally 145 batches of samples of Angelicae Sinensis Radix from 14 areas of Gansu and Yunnan Provinces were collected and dried in the shade. With the content of 3-butylphthalide determined by RP-HPLC-DAD as reference, the NIR spectra of 145 batches of Angelicae Sinensis Radix were collected by integrating sphere diffuse reflectance, and the PLS （partial least squares） quantitative analysis model was established between 7415-4056 cm-1. Results The Rc （correlation coefficient between actual content and predicted content）, RMSEC （the root-mean-square error of calibration）, RMSEP （the root-mean-square error of prediction）, Rcv （cross-validation correlation coefficient）, RMSECV （the root-mean-square error of cross-validation）, and average predicted recovery reached 0.976 7, 0.614 3, 0.706 5, 0.897 8, 1.155 4 and 102.08%, respectively. Conclusion This prediction model was accurate, reliable, and can be used to quantitatively determine the content of 3-butylphthalide in Angelicae Sinensis Radix.
出处
《中国中医药信息杂志》
CAS
CSCD
2015年第3期90-93,共4页
Chinese Journal of Information on Traditional Chinese Medicine
基金
国家自然科学基金(30960037)
甘肃省战略性新兴产业和产业技术研究与开发专项(2011年)
关键词
近红外漫反射光谱
当归
正丁基苯酞
near-infrared diffuse reflectance spectrum
Angelicae Sinensis Radix
3-butylphthalide
作者简介
通讯作者：王亚丽，E-mail：cnwyI1166@hotmail．com
