Near-infrared spectrometric determination of dipyrone in closed ampoules

TALANTA

卷:92

Article

Sanches, Fatima Aparecida C.¹  Abreu, Rosimeri B.¹  Coelho Pontes, Marcio Jose¹  Leite, Flaviano C.¹  Costa, Daniel Jackson E.¹  Galvao, Roberto Kawakami H.²  Araujo, Mario Cesar U.¹ 

[1] Univ Fed Paraiba, Dept Quim, BR-58051970 Joao Pessoa, PB, Brazil

[2] Inst Tecnol Aeronaut, Div Engn Eletron, BR-12228900 Sao Jose Dos Campos, SP, Brazil

关键词: Near-infrared spectrometry;    Multiple Linear Regression;    Variable selection;    Partial-Least-Squares;    Dipyrone;   

DOI  :  10.1016/j.talanta.2012.01.045

来源: Elsevier

【 摘 要 】

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. (C) 2012 Elsevier B.V. All rights reserved.

【 授权许可】

Free