Simultaneous determination of sulphamethoxazole and trimethoprim in powder mixtures by attenuated total reflection-Fourier transform infrared and multivariate calibration

Silva, Fabiana E. B.; Ferrão, Marco Flôres; Parisotto, Graciele; Müller, Edson Irineu; Flores, Érico M.M.

doi:10.1016/j.jpba.2008.12.011

Cited by 37 publications

(17 citation statements)

References 40 publications

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“…Thus, modern infrared spectroscopy has gained acceptance as a reliable tool for quantitative analysis (Settle 1997). Different accessories with diffuse or attenuated reflectance operating in mid-infrared and refl ectance or transmittance mode operating in near infrared enabled the analysis of samples in many different forms such as solutions, powders and intact tablets (Kipouros et al 2006, Armenta et al 2005, Boyer et al 2006, Silva et al 2009, Ferreira et al 2013. In some instances, previous sample treatment is unnecessary and the results are obtained in real time (Lin et al 2006).…”

Section: Introductionmentioning

confidence: 99%

“…In practice, multivariate regression model optimization is based on the identifi cation of a complete data subset that will produce the lowest prediction error (Chen et al 2008). Several approaches have been proposed for selection of optimal set of spectral regions for multivariate calibration such as genetic algorithms, interval PLS (iPLS) and synergy PLS (siPLS) (Silva et al 2009, Friedel et al 2013, Leardi and Nørgaard 2004, Navea et al 2005, Bogomolov and Hachey 2007, Menezes et al 2014, Ruschel et al 2014. Interval PLS allows the construction of models with a spectral interval, and Root Mean Square Error of Cross Validation (RMSECV) values can be used as the criterion to evaluate the prediction ability of this interval.…”

Section: Introductionmentioning

confidence: 99%

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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

Silva

Flores

Parisotto³

et al. 2016

An. Acad. Bras. Ciênc.

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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.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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

Silva

Flores

Parisotto³

et al. 2016

An. Acad. Bras. Ciênc.

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“…Desse ponto de vista, tem-se buscado alternativas para o controle de qualidade de medicamentos que ofereçam maior rapidez na análise, baixo ou ausente consumo de solventes e consequente menor geração de resíduos, mínimo preparo da amostra e menor custo (PASQUINI, 2003;DOU et al, 2007;SILVA et al, 2009). …”

Section: Introductionunclassified

Application of Infrared Spectroscopy Couple With Multivariate Calibration for Drug Quality Control - Revision

Madeira

Piantavini

Trindade

2015

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Autor para correspondência: angela@ufpr.br RESUMO:A espectroscopia na região do infravermelho (próximo e médio) pode ser aplicada como alternativa para determinar o teor de substâncias ativas em formas farmacêuticas. A análise quantitativa de fármacos por infravermelho, empregando a técnica de reflectância difusa, apresenta vantagens quando comparada a outras técnicas, como rapidez, menor custo, não utilização de solvente orgânico e determinação direta de um ou mais fármacos, na presença de interferentes. Apesar das vantagens, o espectro obtido por esta técnica apresenta alta complexidade de sinal, devido ao grande número de modos de vibração, e baixa seletividade, pela sobreposição de sinais analíticos. Logo, determinações univariadas são dificultadas, sendo necessário a aplicação de ferramentas quimiométricas, tais como a calibração multivariada. O método mais utilizado é o dos mínimos quadrados parciais (PLSPartial Least Squares), podendo ser empregado para a determinação de um único fármaco (PLS1) ou determinação simultânea de dois ou mais fármacos (PLS2). A validação de modelos multivariados aplicados a medicamentos vem sendo realizada de forma não padronizada, considerando-se parâmetros estabelecidos para normas univaridas e figuras de mérito cabíveis para métodos multivariados, pois ainda não está regulamentada por órgãos fiscalizadores nacionais, tais como ANVISA. PLAVRAS-CHAVE: infravermelho, DRIFT, calibração multivariada, PLS, controle de qualidade, validação de método analítico. ABSTRACT:The infrared spectroscopy (near and mid region) can be applied as an alternative to determine the content of active pharmaceutical ingredients in pharmaceuticals forms. The quantitative analysis using infrared diffuse reflectance (DRIFT) has advantages, compared to other techniques, such as speed, lowest, no use organic solvent and direct and simultaneous determination of the drug (in the presence of interferents). Despite the advantages, the spectrum obtained by this technique is highly complex signal and low selectivity due to the large number of vibration modes and overlapping analytical signals, respectively. Thus, the univariate methods are hampered, requiring the application of chemometric tools, such as, the multivariate calibration. The most used method is the partial least squares (PLS -Partial Least Squares) and can be used for the determination of a single asset (PLS1) or simultaneous determination of two or more

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“…The methods investigating feed premixes are mainly based on enzyme-linked immuneabsorbent assays, ELISAs (Jimenez et al, 2009), or high performance liquid chromatography methods, combined or not, with tandem mass spectrometry (Croubels et al, 2002;Boscher et al, 2010;Lopes et al, 2012). Nevertheless, the methods suggested to date for the simultaneous determination of SASand TMP require either a long and tedious analysis protocol (DeAngelis et al, 1990;Renew and Huang, 2004), or more explicit instrumentation, like an FT-IR spectrometer (Silva et al, 2009), capillary electrophoresis system equipped with photodiode array detector (Farooq et al, 2009), or LC-MS/MS set-up (Boscher et al, 2010;Lopes et al, 2012).…”

Section: Introductionmentioning

confidence: 99%

A rapid HPLC method for the determination of sulphonamides and trimethoprim in feed premixes

Goulas¹,

Andreou²,

Moditi³

et al. 2014

J. Anim. Feed Sci.

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Simultaneous determination of sulphamethoxazole and trimethoprim in powder mixtures by attenuated total reflection-Fourier transform infrared and multivariate calibration

Cited by 37 publications

References 40 publications

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

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

Application of Infrared Spectroscopy Couple With Multivariate Calibration for Drug Quality Control - Revision

A rapid HPLC method for the determination of sulphonamides and trimethoprim in feed premixes

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