基于NIRS技术的丹参配方颗粒水分与指标成分的快速测定方法

A Rapid Determination Method of Water Content and Salvianolic Acid B in Salviae Miltiorrhizae Formulated Granules by Near-Infrared Spectroscopy

目的采用近红外光谱(Near Infrared Spectroscopy,NIRS)技术,结合化学计量学方法,建立丹参配方颗粒水分和丹酚酸B的定量模型,实现对丹参配方颗粒的水分和丹酚酸B含量进行快速检测。方法以烘干法和HPLC法作为参比分析方法,分别测定丹参配方颗粒的水分以及丹酚酸B的含量,运用最小二乘法(PLS)法分别建立NIRS与水分及丹酚酸B含量之间的定量校正模型,并对预测集样品的两个指标进行预测。结果所建NIRS定量模型的相关系数(R^(2))分别为0.856、0.844;采用独立验证集对模型进行外部验证,RMSECV分别为0.161和4.27,RSEP均<5%。所建立的NIRS快速检测方法的准确性、精密度和重复性,结果均良好。结论NIRS分析技术可应用于丹参配方颗粒中水分和丹酚酸B的快速检测。

OBJECTIVE To establish a quantitative model of water content,and salvianolic acid B in Salviae Miltiorrhizae formulated granules using near-infrared spectroscopy(NIRS)combined with the chemometric method,and to realize the rapid determination of water content,and salvianolic acid B in Salviae Miltiorrhizae formulated granules METHODS With the drying method and high-performance liquid chromatography as the analytical methods for reference,the water content,and salvianolic acid B in Salviae Miltiorrhizae formulated granules were determined.The partial least square method was used to establish the quantitative calibration model between NIRS and water content/salvianolic acid B content,and the content of each ingredient was measured for the samples in the prediction set.RESULTS The correlation coefficients of the established NIRS quantitative models(R^(2))were 0.856 and 0.844,respectively.An independent validation set was used for external validation of these models,and the results showed that RMSECV were 0.161 and 4.27,respectively,and RSEP were lower than 5%.The NIRS-based rapid determination method established in this study had good accuracy,precision,reproducibility,and results.CONCLUSION The NIRS-based analytical method can be used for rapid determination of water,salvianolic acid B in Salviae Miltiorrhizae formulated granules and can yield accurate and reliable results.