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dc.contributor.author
Calvo, Natalia Lorena
dc.contributor.author
Kaufman, Teodoro Saul
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dc.contributor.author
Maggio, Ruben Mariano
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dc.date.available
2016-06-01T15:49:31Z
dc.date.issued
2015-03
dc.identifier.citation
Calvo, Natalia Lorena; Kaufman, Teodoro Saul; Maggio, Ruben Mariano; A PCA-based chemometrics-assisted ATR-FTIR approach for the classification of polymorphs of cimetidine. Application to physical mixtures and tablets; Elsevier; Journal of Pharmaceutical and Biomedical Analysis; 107; 3-2015; 419-425
dc.identifier.issn
0731-7085
dc.identifier.uri
http://hdl.handle.net/11336/5991
dc.description.abstract
The identity of the polymorphic form of an active pharmaceutical ingredient is an important parameter that may affect the performance of the drug formulation. This calls for special techniques, able to classify crystal forms or assign the polymorphic identity to a given solid in a mixture.
In order to develop a method to determine which of the relevant polymorphs of Cimetidine (CIM) is present in commercial tablet samples, authentic forms A, B, D and M1 of the drug were prepared, structurally characterized and employed as standards.
Thus, attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) was coupled to Principal Component Analysis (PCA) and used for the classification of physical mixtures of CIM and excipients, as well as laboratory-made and commercial tablets, according to their polymorphic composition.
It was demonstrated that two principal components (PCs) suffice to classify the samples of the four forms of CIM into distinct groups, and that method performance is optimum when the second and third PCs are used for the classification process. The application of the method to commercial tablets of CIM also gave good results, confirming they were prepared employing the correct polymorph (form A).
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.subject
Cimetidine
dc.subject
Cristal Polymorphism
dc.subject
Principal Component Analysis
dc.subject
Atr-Ftir
dc.subject.classification
Química Analítica
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
A PCA-based chemometrics-assisted ATR-FTIR approach for the classification of polymorphs of cimetidine. Application to physical mixtures and tablets
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2016-06-01T14:05:00Z
dc.journal.volume
107
dc.journal.pagination
419-425
dc.journal.pais
Países Bajos
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dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Calvo, Natalia Lorena. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
dc.description.fil
Fil: Kaufman, Teodoro Saul. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
dc.description.fil
Fil: Maggio, Ruben Mariano. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
dc.journal.title
Journal of Pharmaceutical and Biomedical Analysis
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0731708515000266
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.jpba.2015.01.016
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jpba.2015.01.016
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