Near-infrared spectrometric determination of dipyrone in closed ampoules
| Autor: | Daniel Jackson Estevam da Costa, Roberto Kawakami Harrop Galvão, Márcio José Coelho Pontes, Rosimeri B. Abreu, Fátima Aparecida Castriani Sanches, Mário César Ugulino de Araújo, Flaviano Carvalho Leite |
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| Rok vydání: | 2012 |
| Předmět: |
Spectroscopy
Near-Infrared Near-infrared spectrometry Variable selection Chemistry(all) Chemistry Calibration (statistics) Dipyrone Analytical chemistry Feature selection Latent variable Confidence interval Ampoule Injections Analytical Chemistry Partial-Least-Squares Multiple Linear Regression Calibration Linear regression Statistics Partial least squares regression Range (statistics) Humans Regression Analysis Algorithms Software |
| Zdroj: | Talanta. 92:84-86 |
| ISSN: | 0039-9140 |
| Popis: | The present paper proposes an analytical method for fast near-infrared (NIR) determination of dipyrone in injectable formulations with a nominal content of 50.0% m v−1 without violation of the ampoule. For this purpose, two multivariate calibration methods are evaluated, namely Partial-Least-Squares (PLS) and Multiple Linear Regression (MLR) with variable selection by the Successive Projections Algorithm (SPA). The resulting models comprised four latent variables (PLS) and five spectral variables (MLR-SPA). Appropriate predictions were obtained in both cases, with RMSEP values of 0.39 (PLS) and 0.35% m v−1 (MLR-SPA) and correlation coefficients of 0.9970 (PLS) and 0.9975 (MLR-SPA) for a calibration range of 40–60% m v−1. No systematic error was observed and no significant differences were found between the predicted and reference values, according to a paired t-test at 95% confidence level. |
| Databáze: | OpenAIRE |
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