Robust calibration design in the pharmaceutical quantitative measurements with near-infrared (NIR) spectroscopy: Avoiding the chemometric pitfalls
| Autor: | James Cheney, Joseph Berry, Mazen Hamed, Ajaz S. Hussain, Yatindra Joshi, Busolo Wabuyele, Susan Buntz, Huiquan Wu, Mansoor A. Khan, Dong Xiang, Paul M. Gargiulo |
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| Rok vydání: | 2008 |
| Předmět: |
Active ingredient
Spectroscopy Near-Infrared Chemistry Near-infrared spectroscopy Analytical chemistry Pharmaceutical Science Excipient Reproducibility of Results Models Theoretical Diagnostic tools Dosage form Pharmaceutical technology Robustness (computer science) Partial least squares regression Calibration Multivariate Analysis medicine Hardness Tests Least-Squares Analysis Biological system medicine.drug Tablets |
| Zdroj: | Journal of pharmaceutical sciences. 98(3) |
| ISSN: | 1520-6017 |
| Popis: | Quantification analysis with near-infrared (NIR) spectroscopy typically requires utilizing chemometric techniques, such as partial least squares (PLS) method, to achieve the desired selectivity. This article points out a major limitation of these statistical-based calibration methods. The limitation is that the techniques suffer from the potential for chance correlation. In this article, the impact of chance correlation on the robustness of PLS model was illustrated via a pharmaceutical application with NIR to the content uniformity determination of tablets. The procedure involves evaluating the PLS models generated with two sets of calibration tablets incorporated with distinct degree of concentration correlation between the active pharmaceutical ingredient (API) and excipients. The selectivity and robustness of the two models were examined by using a series of data sets associated with placebo tablets and tablets incorporated with variations from excipient content, hardness and particle size. The result clearly revealed that the strong correlation observed in the PLS model created by the correlated design was not solely based on the API information, and there was an intrinsic difference in the variances described by the two calibration models. Diagnostic tools that enable the characterization of the chemical selectivity of the calibration model were also proposed for pharmaceutical quantitative analysis. |
| Databáze: | OpenAIRE |
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