光程对清开灵注射液中黄芩苷近红外定量模型的影响

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6 mm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R_C=0.989,RMSEC=0.16;对验证集的预测结果为R_P=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,R_C=0.989,RMSEC=0.16;and for the validation set,R_P=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.