Quantitative analysis and resolution of pharmaceuticals in the environment using multivariate curve resolution-alternating least squares (MCR-ALS)
The study presents the application of multivariate curve resolution alternating least squares (MCR-ALS) with a correlation constraint for simultaneous resolution and quantification of ketoprofen, naproxen, paracetamol and caffeine as target analytes and triclosan as an interfering component in diffe...
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| Format: | Article |
| Language: | English |
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Sciendo
2019-06-01
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| Series: | Acta Pharmaceutica |
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| Online Access: | https://doi.org/10.2478/acph-2019-0011 |
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| author | Mostafa Ahmed Shaaban Heba |
| author_facet | Mostafa Ahmed Shaaban Heba |
| author_sort | Mostafa Ahmed |
| collection | DOAJ |
| description | The study presents the application of multivariate curve resolution alternating least squares (MCR-ALS) with a correlation constraint for simultaneous resolution and quantification of ketoprofen, naproxen, paracetamol and caffeine as target analytes and triclosan as an interfering component in different water samples using UV-Vis spectrophotometric data. A multivariate regression model using the partial least squares regression (PLSR) algorithm was developed and calculated. The MCR-ALS results were compared with the PLSR obtained results. Both models were validated on external sample sets and were applied to the analysis of real water samples. Both models showed comparable and satisfactory results with the relative error of prediction of real water samples in the range of 1.70–9.75 % and 1.64–9.43 % for MCR-ALS and PLSR, resp. The obtained results show the potential of MCR-ALS with correlation constraint to be applied for the determination of different pharmaceuticals in complex environmental matrices. |
| format | Article |
| id | doaj-art-d096233ebc5c4fbe96fddb9b6325c00b |
| institution | Kabale University |
| issn | 1846-9558 |
| language | English |
| publishDate | 2019-06-01 |
| publisher | Sciendo |
| record_format | Article |
| series | Acta Pharmaceutica |
| spelling | doaj-art-d096233ebc5c4fbe96fddb9b6325c00b2025-02-02T23:02:22ZengSciendoActa Pharmaceutica1846-95582019-06-0169221723110.2478/acph-2019-0011acph-2019-0011Quantitative analysis and resolution of pharmaceuticals in the environment using multivariate curve resolution-alternating least squares (MCR-ALS)Mostafa Ahmed0Shaaban Heba1Department of Pharmaceutical Chemistry, College of Clinical Pharmacy Imam Abdulrahman Bin Faisal University, King Faisal Road P.O. Box 1982, Dammam31441Saudi ArabiaDepartment of Pharmaceutical Chemistry, College of Clinical Pharmacy Imam Abdulrahman Bin Faisal University, King Faisal Road P.O. Box 1982, Dammam31441Saudi ArabiaThe study presents the application of multivariate curve resolution alternating least squares (MCR-ALS) with a correlation constraint for simultaneous resolution and quantification of ketoprofen, naproxen, paracetamol and caffeine as target analytes and triclosan as an interfering component in different water samples using UV-Vis spectrophotometric data. A multivariate regression model using the partial least squares regression (PLSR) algorithm was developed and calculated. The MCR-ALS results were compared with the PLSR obtained results. Both models were validated on external sample sets and were applied to the analysis of real water samples. Both models showed comparable and satisfactory results with the relative error of prediction of real water samples in the range of 1.70–9.75 % and 1.64–9.43 % for MCR-ALS and PLSR, resp. The obtained results show the potential of MCR-ALS with correlation constraint to be applied for the determination of different pharmaceuticals in complex environmental matrices.https://doi.org/10.2478/acph-2019-0011multivariate curve resolution alternating least squarescorrelation constraintpartial least squaresmultivariate calibrationenvironmental analysisuv-vis spectrophotometry |
| spellingShingle | Mostafa Ahmed Shaaban Heba Quantitative analysis and resolution of pharmaceuticals in the environment using multivariate curve resolution-alternating least squares (MCR-ALS) Acta Pharmaceutica multivariate curve resolution alternating least squares correlation constraint partial least squares multivariate calibration environmental analysis uv-vis spectrophotometry |
| title | Quantitative analysis and resolution of pharmaceuticals in the environment using multivariate curve resolution-alternating least squares (MCR-ALS) |
| title_full | Quantitative analysis and resolution of pharmaceuticals in the environment using multivariate curve resolution-alternating least squares (MCR-ALS) |
| title_fullStr | Quantitative analysis and resolution of pharmaceuticals in the environment using multivariate curve resolution-alternating least squares (MCR-ALS) |
| title_full_unstemmed | Quantitative analysis and resolution of pharmaceuticals in the environment using multivariate curve resolution-alternating least squares (MCR-ALS) |
| title_short | Quantitative analysis and resolution of pharmaceuticals in the environment using multivariate curve resolution-alternating least squares (MCR-ALS) |
| title_sort | quantitative analysis and resolution of pharmaceuticals in the environment using multivariate curve resolution alternating least squares mcr als |
| topic | multivariate curve resolution alternating least squares correlation constraint partial least squares multivariate calibration environmental analysis uv-vis spectrophotometry |
| url | https://doi.org/10.2478/acph-2019-0011 |
| work_keys_str_mv | AT mostafaahmed quantitativeanalysisandresolutionofpharmaceuticalsintheenvironmentusingmultivariatecurveresolutionalternatingleastsquaresmcrals AT shaabanheba quantitativeanalysisandresolutionofpharmaceuticalsintheenvironmentusingmultivariatecurveresolutionalternatingleastsquaresmcrals |