近红外光谱结合偏最小二乘法快速测定奥硝唑片的含量

Rapid Quantitative Determination of Ornidazole Tablets by Near Infrared Diffuse Reflection Spectroscopy Combined with Partial Least Square Algorithm

目的采用近红外光谱分析技术结合偏最小二乘法建立奥硝唑片快速定量分析方法。方法以4个厂家生产的53批奥硝唑片为分析对象,首先隔铝塑采集样品的近红外漫反射光谱,同时按法定方法测定样品含量,最后采用偏最小二乘法建立定量模型。结果采用内部交叉验证建立模型。含量范围为40.50%~92.40%;建模谱段为8572~7498cm^(-1)和4602~4297cm^(-1);预处理方法为矢量归一化;Rank值为6;内部交叉验证决定系数为99.51%,均方根误差为1.16%;平均偏差为0.89%,平均相对偏差为1.65%。结论所建立的定量模型可对奥硝唑片进行准确、快速定量分析,不破坏包装,绿色,环保,可用于药品的快速分析和检验。

OBJECTIVE To construct a quantitative method quickly analyzing the omidazole tablets by near in- frared diffuse reflection spectroscopy technology and partial least square （PLS） algorithm. METHODS 53 batches of ornidazole tablets from 4 different manufactures were chose for analyzing. Firstly, near infrared diffuse reflection spectrums of the samples were collected off from the aluminum-plastic. Secondly, the API contents were determined by official method. Thirdly,model with the PLS algorithm available in the Quant 2 were developed. RESULTS The model was based on cross validation with API from 40. 50% -92. 40%. The spectra ranges were 8572-7498cm^（-1）和4602-4297cm^（-1 ;the pretreatment method was vector normalization. In the cross validation,the values of R： and RMSECV were 99.51% and 1.16% respectively. The average deviation was 0, 89% and the average relative devia- tion was 1.65 %. CONCLUSION The quantitative model built can not only analyze the ornidazole tablets accurate- ly but also have other advantages such as more quickly, to be green, with no package damage and non-pollution.