复方丹参片丹酚酸B和冰片近红外光谱测定和相关性模型建立

Determination of salvianolic acid B and borneol in compound Danshen tablet by near-infrared spectroscopy and establishment of dependency model

利用近红外测定复方丹参片中的丹酚酸B和冰片的含量,并建立相关性模型用于快速定量分析。收集不同厂家的复方丹参片共74批,应用近红外光谱采集其光谱,通HPLC测定丹酚酸B的含量,GC测定冰片的含量,建立丹酚酸B和冰片的相关性模型。结果显示丹酚酸B最佳波段为10 846.2~10 013,9 195.3~8 362.2,6 719.1~4 242.8 cm^-1,内部交叉均方差为RMSECV=1.72 mg·g^-1,决定系数是R2=91.05%,相对分析误差（RPD）为7.93 mg·g^-1;冰片的最佳波段为10 846.2~5 060.5 cm^-1内部交叉均方差（RMSECV）为1.2 mg·g^-1,R2=96.11%,RPD为6.71 mg·g^-1。建立的模型对验证集样品的验证结果为相对误差分别为2.67%,4.64%。建立的丹酚酸B和冰片的模型的预测性良好,可用于复方丹参片的实施监控和质量控制。

To determine the contents of salvianolic acid B and borneol in compound Danshen tablet（composed of Salviae Miltiorrhizae Radix et Rhizome,Notoginseng Radix et Rhizome and Borneolum Syntheticum） by near-infrared spectroscopy（NIR） and to establish a dependency model for rapid quantitative analysis. NIR data of 74 batches of compound Danshen tablet from different companies were collected; the contents of salvianolic acid B and borneol were determined by using high performanceliquid chromatography（HPLC） and gas chromatography（GC） respectively to establish the dependency model for salvianolic acid B and borneol. The results showed that the best waveband for salvianolic acid B was 10 846. 2-10 013,9 195. 3-8 362. 2,6 719. 1-4 242. 8 cm^-1; root-meansquares error of cross-validation（RMSECV）,coefficient of determination R2 and regression point displacement（RPD） of salvianolic acid B were 1. 72 mg·g^-1,91. 05% and 7. 93 mg·g^-1,respectively. While the best wavebands,RMSECV,R2 and RPD of borneol were 10 846. 2-5 060. 5 cm^-1,1. 2 mg·g^-1,96. 11% and 6. 71 mg·g^-1,respectively. The relative error of the established model as validation results for validation set samples was 2. 67% and 4. 64%,respectively. With the good predictability,the models can be applied to the real time monitoring and quality control of compound Danshen tablet.