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
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...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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World Scientific Publishing
2018-05-01
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| Series: | Journal of Innovative Optical Health Sciences |
| Subjects: | |
| Online Access: | http://www.worldscientific.com/doi/pdf/10.1142/S1793545818500116 |
| _version_ | 1811269618514264064 |
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| author | Man Zhao Ran Meng Yifang Lu Lingyun Hu Na Sun Lei Nie Haina Wang |
| author_facet | Man Zhao Ran Meng Yifang Lu Lingyun Hu Na Sun Lei Nie Haina Wang |
| author_sort | Man Zhao |
| collection | DOAJ |
| description | 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 predicted the enantiomeric composition. The ratio of S-PZQ in tablet was 0.492, determined by high-performance liquid chromatography as the reference value. Six solutions of the tablet samples were prepared, and the ratios of S-PZQ in tablet samples in the validation set were predicted by the PLS model. Their relative errors with the reference value were not more than 4%. Therefore, the established model could be accurate and employed to predict the enantiomeric compositions of PZQ tablets. |
| first_indexed | 2024-04-12T21:45:22Z |
| format | Article |
| id | doaj.art-2f7da1096d3447e8b8edaf6a87691719 |
| institution | Directory Open Access Journal |
| issn | 1793-5458 1793-7205 |
| language | English |
| last_indexed | 2024-04-12T21:45:22Z |
| publishDate | 2018-05-01 |
| publisher | World Scientific Publishing |
| record_format | Article |
| series | Journal of Innovative Optical Health Sciences |
| spelling | doaj.art-2f7da1096d3447e8b8edaf6a876917192022-12-22T03:15:38ZengWorld Scientific PublishingJournal of Innovative Optical Health Sciences1793-54581793-72052018-05-011131850011-11850011-810.1142/S179354581850011610.1142/S1793545818500116A useful quantitative model for determination of enantiomeric composition of racemate praziquantel by ultraviolet spectroscopy combined with partial least squares and its application to praziquantel tabletsMan Zhao0Ran Meng1Yifang Lu2Lingyun Hu3Na Sun4Lei Nie5Haina Wang6School of Pharmaceutical Sciences, Shandong University, Jinan 250012, P. R. ChinaSchool of Pharmaceutical Sciences, Shandong University, Jinan 250012, P. R. ChinaSchool of Pharmaceutical Sciences, Shandong University, Jinan 250012, P. R. ChinaShandong Cancer Hospital Affiliated to Shandong University, Jinan, P. R. ChinaSchool of Pharmaceutical Sciences, Shandong University, Jinan 250012, P. R. ChinaSchool of Pharmaceutical Sciences, Shandong University, Jinan 250012, P. R. ChinaSchool of Pharmaceutical Sciences, Shandong University, Jinan 250012, P. R. ChinaA 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 predicted the enantiomeric composition. The ratio of S-PZQ in tablet was 0.492, determined by high-performance liquid chromatography as the reference value. Six solutions of the tablet samples were prepared, and the ratios of S-PZQ in tablet samples in the validation set were predicted by the PLS model. Their relative errors with the reference value were not more than 4%. Therefore, the established model could be accurate and employed to predict the enantiomeric compositions of PZQ tablets.http://www.worldscientific.com/doi/pdf/10.1142/S1793545818500116Enantiomeric compositionspraziquantelpartial least squaresultraviolet spectroscopysucrose |
| spellingShingle | Man Zhao Ran Meng Yifang Lu Lingyun Hu Na Sun Lei Nie Haina Wang 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 Journal of Innovative Optical Health Sciences Enantiomeric compositions praziquantel partial least squares ultraviolet spectroscopy sucrose |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | Enantiomeric compositions praziquantel partial least squares ultraviolet spectroscopy sucrose |
| url | http://www.worldscientific.com/doi/pdf/10.1142/S1793545818500116 |
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