Análise simultânea de hidróxido de alumínio, hidróxido de magnésio e simeticona em formulação farmacêutica por infravermelho médio associado à calibração multivariada

Abstract

Antacids are commonly used in clinical practice and are marketed in Brazil in various pharmaceutical forms. Qualitative and quantitative physicochemical analyses of these drugs are essential steps to ensure the quality, safety, and efficacy of the product to be marketed. Therefore, given the need for methods with analytical speed, low solvent consumption, minimal sample preparation, and less waste generation by quality control for quantitative determination of drugs, this study aims to develop an alternative analytical method for the simultaneous determination of aluminum hydroxide (Al(OH)₃), magnesium hydroxide (Mg(OH)2), and simethicone in pharmaceutical antacid formulations, through the use of infrared spectroscopy associated with multivariate calibration models. An analytical method based on mid-infrared spectroscopy (MIR) associated with multivariate calibration by partial least squares regression (PLS) was developed for the simultaneous evaluation of active ingredients in pharmaceutical antacid formulations. The proposed methodology dispenses with previous separation or extraction steps, being characterized as fast, non-destructive and sustainable. The multivariate models were constructed from 49 model samples of commercial formulations containing in their formulation 37 mg/mL, 40 mg/mL and 5 mg/mL mg of Al(OH)₃, Mg(OH)2 and simethicone respectively and 20 samples used in the model validation process. The spectral data were acquired in the range of 3800 cm-1 to 650 cm-1 with a resolution of 4 cm-1 by Fourier transform infrared spectroscopy using an attenuated total reflectance accessory (ATR-FTIR). The data obtained were compared with the reference ones. A prediction error (RMSE) of 4.9, 3.3 e 3.2 were obtained in the models calibrated for Al(OH)₃, Mg(OH)2 and simethicone respectively. The results obtained demonstrate that regression models combined with ATR-FTIR are promising in the development of simpler, faster and non-destructive methodologies. Therefore, models can be a viable alternative for the simultaneous evaluation of Al(OH)₃, Mg(OH)2 and simethicone, being efficient compared to traditional methodologies used in industrial process control and quality control of commercial antacids.