论文部分内容阅读
目的:应用近红外光谱法建立一种定性分析六味地黄丸质量的方法。方法:将六味地黄丸样品按照来源不同分为3类,并扫描其近红外光谱,建立六味地黄丸PLS近红外定性分析数学模型。结果:通过优化,六味地黄丸定性分析模型的条件参数为:波段范围为4 000-9 000cm-1、样品预处理方法为“一阶导数法+中心化”、模型阈值F为0.05。建模集样品的识别准确率、误判率和无法识别率分别为96.00%、0.66%和3.34%,检验集样品的识别准确率、误判率和无法识别率分别为98.72%、0.00%和1.28%。结论:实验结果表明应用近红外光谱技术建立六味地黄丸的定性分析方法是可行的。
Objective: To establish a method of qualitative analysis of Liuwei Dihuang Pill by near infrared spectroscopy. Methods: The samples of Liuweidihuangwan were divided into three groups according to different sources, and their near infrared spectra were scanned to establish the mathematical model of near infrared spectroscopy (PLS) of Liuweidihuangwan. Results: The optimized parameters of Liuwei Dihuang Wan qualitative analysis model were as follows: the band range was 4 000-9 000 cm -1, the sample pretreatment method was “first derivative method + centering”, and the model threshold F was 0.05. The recognition accuracy, misjudgment rate and unrecognized rate of the model set samples were 96.00%, 0.66% and 3.34% respectively. The recognition accuracy, misjudgment rate and unrecognized rate of the sample set were 98.72%, 0.00% and 1.28%. Conclusion: The experimental results show that it is feasible to establish the qualitative analysis method of Liuweidihuangwan by near-infrared spectroscopy.