Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations
Autor(a) principal: | |
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Data de Publicação: | 2016 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRGS |
Texto Completo: | http://hdl.handle.net/10183/142281 |
Resumo: | 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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Silva, Fabiana Ernestina Barcellos daFlores, Erico Marlon de MoraesParisotto, GracieleMüller, Edson IrineuFerrão, Marco Flôres2016-06-04T02:09:37Z20160001-3765http://hdl.handle.net/10183/142281000987576An 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.application/pdfengAnais da Academia Brasileira de Ciências. Rio de Janeiro. Vol. 88, no. 1 (Mar. 2016), p. 1-15Espectroscopia : Infravermelho : Transformada de fourierQuimiometriaCromatografia liquidaSulfametoxazolTrimetoprimChemometricsDiffuse reflectance infrared Fourier transform spectroscopyGreen analytical methodHigh performance liquid chromatographyInterval partial least squares (iPLS)Synergy partial least squares (siPLS)Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulationsinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/otherinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFRGSinstname:Universidade Federal do Rio Grande do Sul (UFRGS)instacron:UFRGSORIGINAL000987576.pdf000987576.pdfTexto completo (inglês)application/pdf1516004http://www.lume.ufrgs.br/bitstream/10183/142281/1/000987576.pdfb39b3b50c481013ecd3102674540cc25MD51TEXT000987576.pdf.txt000987576.pdf.txtExtracted Texttext/plain43678http://www.lume.ufrgs.br/bitstream/10183/142281/2/000987576.pdf.txtb5466bd506fbd3207c60c28369b8f750MD52THUMBNAIL000987576.pdf.jpg000987576.pdf.jpgGenerated Thumbnailimage/jpeg1917http://www.lume.ufrgs.br/bitstream/10183/142281/3/000987576.pdf.jpg2de2c70e3867a895cee839c6a6f7bab9MD5310183/1422812021-09-18 04:53:47.919033oai:www.lume.ufrgs.br:10183/142281Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2021-09-18T07:53:47Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false |
dc.title.pt_BR.fl_str_mv |
Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations |
title |
Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations |
spellingShingle |
Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations Silva, Fabiana Ernestina Barcellos da Espectroscopia : Infravermelho : Transformada de fourier Quimiometria Cromatografia liquida Sulfametoxazol Trimetoprim Chemometrics Diffuse reflectance infrared Fourier transform spectroscopy Green analytical method High performance liquid chromatography Interval partial least squares (iPLS) Synergy partial least squares (siPLS) |
title_short |
Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations |
title_full |
Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations |
title_fullStr |
Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations |
title_full_unstemmed |
Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations |
title_sort |
Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations |
author |
Silva, Fabiana Ernestina Barcellos da |
author_facet |
Silva, Fabiana Ernestina Barcellos da Flores, Erico Marlon de Moraes Parisotto, Graciele Müller, Edson Irineu Ferrão, Marco Flôres |
author_role |
author |
author2 |
Flores, Erico Marlon de Moraes Parisotto, Graciele Müller, Edson Irineu Ferrão, Marco Flôres |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Silva, Fabiana Ernestina Barcellos da Flores, Erico Marlon de Moraes Parisotto, Graciele Müller, Edson Irineu Ferrão, Marco Flôres |
dc.subject.por.fl_str_mv |
Espectroscopia : Infravermelho : Transformada de fourier Quimiometria Cromatografia liquida Sulfametoxazol Trimetoprim |
topic |
Espectroscopia : Infravermelho : Transformada de fourier Quimiometria Cromatografia liquida Sulfametoxazol Trimetoprim Chemometrics Diffuse reflectance infrared Fourier transform spectroscopy Green analytical method High performance liquid chromatography Interval partial least squares (iPLS) Synergy partial least squares (siPLS) |
dc.subject.eng.fl_str_mv |
Chemometrics Diffuse reflectance infrared Fourier transform spectroscopy Green analytical method High performance liquid chromatography Interval partial least squares (iPLS) Synergy partial least squares (siPLS) |
description |
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. |
publishDate |
2016 |
dc.date.accessioned.fl_str_mv |
2016-06-04T02:09:37Z |
dc.date.issued.fl_str_mv |
2016 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/other |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10183/142281 |
dc.identifier.issn.pt_BR.fl_str_mv |
0001-3765 |
dc.identifier.nrb.pt_BR.fl_str_mv |
000987576 |
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url |
http://hdl.handle.net/10183/142281 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.ispartof.pt_BR.fl_str_mv |
Anais da Academia Brasileira de Ciências. Rio de Janeiro. Vol. 88, no. 1 (Mar. 2016), p. 1-15 |
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info:eu-repo/semantics/openAccess |
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openAccess |
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