摘要
目的:探讨光程变化对清开灵注射液中黄芩苷近红外定量模型的影响。方法:以清开灵注射液为研究对象,分别采集6mm和8 mm 2个不同光程下的近红外光谱,采用偏最小二乘回归法(PLSR)建立黄芩苷定量模型,比较不同光程及光谱预处理方式对黄芩苷定量模型性能的影响。结果:在2个光程下,采用原始光谱所建模型最优,且6 mm光程优于8 mm光程。PLS模型对校正集的预测结果为RC=0.989,RMSEC=0.16;对验证集的预测结果为RP=0.993,RMSEP=0.12,RPD=7.65。结论:光程变化对基于近红外光谱的黄芩苷定量模型存在影响,选择适合于待测组分的光程能够更有效地实现定量检测。
Objective：To investigate the effect of optical path lengths on the NIR quantitative determination of baicalin.Methods：NIR transmission spectra of Qingkailing injection were collected at different optical path lengths（6 mm and 8 mm） using Fourier transform near infrared（FT-NIR） spectrometer in the wavelength range of 4000 cm-1 to 10000 cm-1.Calibration models were developed using partial least-squares regression（PLSR） with high-performance liquid chromatography（HPLC） as a reference method.Seven spectral preprocessing methods were compared,and the number of PLS factors was optimized by leave-one-out cross-validation.Result：The PLS model of raw spectra at 6 mm optical path length presented the best prediction ability.For the calibration set,RC=0.989,RMSEC=0.16;and for the validation set,RP=0.993,RMSEP=0.12,RPD=7.65.Conclusion：Our results demonstrated that the optical path length could affect the NIR analysis result of baicalin determination in Qingkailing injection,and an appropriate optical path length would guarantee the detection accuracy.
出处
《药物分析杂志》
CAS
CSCD
北大核心
2012年第10期1796-1800,共5页
Chinese Journal of Pharmaceutical Analysis
基金
国家科技部十一五重大新药创制专项"清开灵注射液安全性关键技术研究"(2010ZX09502-002)
北京市中药基础与新药研究重点实验室资助
