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首页> 外文期刊>Journal of innovative optical health sciences >A useful quantitative model for determination of enantiomeric composition of racemate praziquantel by ultraviolet spectroscopy combined with partial least squares and its application to praziquantel tablets
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A useful quantitative model for determination of enantiomeric composition of racemate praziquantel by ultraviolet spectroscopy combined with partial least squares and its application to praziquantel tablets

机译：紫外光谱结合偏最小二乘测定消旋吡喹酮对映体组成的定量模型及其在吡喹酮片中的应用

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摘要

A simple and novel method has been proposed to determine the enantiomeric composition of racemate praziquantel (PZQ) by using the analysis of ultraviolet (UV) spectroscopy combined with partial least squares (PLS). This method does not rely on the use of expensive carbohydrates such as cyclodextrins, but on the use of inexpensive sucrose, which is equally effective as carbohydrate. PZQ has two enantiomers. Through measuring the slight difference in the UV spectral absorption of PZQ due to different interactions between its two enantiomers and sucrose, the enantiomeric composition was determined by a quantitative model based on PLS analysis. The model showed that the correlation coefficients of calibration set and validation set were 0.9971 and 0.9972, respectively. The root mean square error of calibration (RMSEC) and the root mean square error of prediction (RMSEP) were 0.0167 and 0.0129, respectively. Then, the independent data of PZQ tablets were also used to test how well the quantitative model of PLS...
机译：提出了一种简单新颖的方法，通过结合偏最小二乘法（PLS）的紫外（UV）光谱分析来确定外消旋吡喹酮（PZQ）的对映体组成。该方法不依赖使用昂贵的碳水化合物，例如环糊精，而是依赖使用廉价的蔗糖，其与碳水化合物同样有效。 PZQ有两种对映体。通过测量由于PZQ的两个对映异构体和蔗糖之间的相互作用不同而引起的紫外光谱吸收的细微差异，通过基于PLS分析的定量模型确定了对映异构体的组成。该模型显示，校正集和验证集的相关系数分别为0.9971和0.9972。校正的均方根误差（RMSEC）和预测的均方根误差（RMSEP）分别为0.0167和0.0129。然后，还使用PZQ片剂的独立数据来测试PLS定量模型的准确性。

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