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Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations

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Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations

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Título Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations
Autor Silva, Fabiana Ernestina Barcellos da
Flores, Erico Marlon de Moraes
Parisotto, Graciele
Müller, Edson Irineu
Ferrão, Marco Flôres
Abstract An alternative method for the quantifi cation of sulphametoxazole (SMZ) and trimethoprim (TMP) using diffuse refl ectance infrared Fourier-transform spectroscopy (DRIFTS) and partial least square regression (PLS) was developed. Interval Partial Least Square (iPLS) and Synergy Partial Least Square (siPLS) were applied to select a spectral range that provided the lowest prediction error in comparison to the full-spectrum model. Fifteen commercial tablet formulations and forty-nine synthetic samples were used. The ranges of concentration considered were 400 to 900 mg g-1 SMZ and 80 to 240 mg g-1 TMP. Spectral data were recorded between 600 and 4000 cm-1 with a 4 cm-1 resolution by Diffuse Refl ectance Infrared Fourier Transform Spectroscopy (DRIFTS). The proposed procedure was compared to high performance liquid chromatography (HPLC). The results obtained from the root mean square error of prediction (RMSEP), during the validation of the models for samples of sulphamethoxazole (SMZ) and trimethoprim (TMP) using siPLS, demonstrate that this approach is a valid technique for use in quantitative analysis of pharmaceutical formulations. The selected interval algorithm allowed building regression models with minor errors when compared to the full spectrum PLS model. A RMSEP of 13.03 mg g-1 for SMZ and 4.88 mg g-1 for TMP was obtained after the selection the best spectral regions by siPLS.
Contido em Anais da Academia Brasileira de Ciências. Rio de Janeiro. Vol. 88, no. 1 (Mar. 2016), p. 1-15
Assunto Cromatografia liquida
Espectroscopia : Infravermelho : Transformada de fourier
Quimiometria
Sulfametoxazol
Trimetoprim
[en] Chemometrics
[en] Diffuse reflectance infrared Fourier transform spectroscopy
[en] Green analytical method
[en] High performance liquid chromatography
[en] Interval partial least squares (iPLS)
[en] Synergy partial least squares (siPLS)
Origem Nacional
Tipo Artigo de periódico
URI http://hdl.handle.net/10183/142281
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