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    基于拉曼光谱法建立的模型快速预测布洛芬缓释胶囊中布洛芬的含量

    Rapid Prediction of Ibuprofen in Ibuprofen Sustained-Release Capsules with Model Based on Raman Spectrometry

    • 摘要: 为快速测定布洛芬缓释胶囊中布洛芬的含量,进行了题示项目研究。以高效液相色谱法(HPLC)为参比,采用拉曼光谱仪对5个校正集样本和布洛芬对照品进行扫描,将原始拉曼光谱图导入计算平台,选择波段250~1 800 cm-1,通过荧光褪色差分法校正基线,二阶滤波求导进行降噪处理,用向量夹角转换算法计算各样本与布洛芬对照品拉曼光谱之间夹角余弦的方差值,以布洛芬的质量分数对该值进行拟合,得到模型的关联方程。采集待测样品的拉曼光谱,利用建立的模型预测其中布洛芬的含量。结果显示:布洛芬的质量分数在55%~90%内与其对应的夹角余弦的方差值呈线性关系;验证集样本的预测值与HPLC所得参考值的相对偏差为3.0%~3.8%。模型用于实际样品分析,预测值和参考值的相对偏差为1.2%~6.8%,预测值的相对标准偏差(n=5)为0.99%~3.1%。

       

      Abstract: In order to rapidly determine ibuprofen in ibuprofen sustained-release capsules, the work as mentioned by the article was carried out. High performance liquid chromatography (HPLC) was used as reference, and Raman spectrometer was used to scan 5 calibration set samples and ibuprofen reference substance. The original Raman spectra were imported into the computing platform, with waveband in the range of 250-1 800 cm-1. The fluorescence photo-bleaching difference approach method was used for baseline correction, and the second order filter derivative was used for noise supression. The variance values of angle cosine between Raman spectra of each sample and ibuprofen reference substance were calculated by vector angle conversion algorithm, and the correlation equation of the model was obtained by fitting the variance values to mass fractions of ibuprofen. The model was used to predict content of ibuprofen by collecting Raman spectra of the test samples. As shown by the results, linear relationship between mass fraction of ibuprofen and its variance value of angle cosine was kept in the range of 55%-90%, and the relative deviations of validation set samples between the predicted values and the reference values obtained by HPLC was in the range of 3.0%-3.8%. The model has been used for substantial samples, with the relative deviations between the predicted values and the reference values in the range of 1.2%-6.8%, and RSD (n=5) of the predicted values were ranged from 0.99% to 3.1%.

       

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