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dc.contributor.author
Antonio, Marina
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dc.contributor.author
Carneiro, Renato L.
dc.contributor.author
Maggio, Ruben Mariano
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dc.date.available
2023-04-17T13:22:14Z
dc.date.issued
2022-05
dc.identifier.citation
Antonio, Marina; Carneiro, Renato L.; Maggio, Ruben Mariano; A comparative approach of MIR, NIR and Raman based chemometric strategies for quantification of Form I of Meloxicam in commercial bulk drug; Elsevier Science; Microchemical Journal; 180; 5-2022; 1-8
dc.identifier.issn
0026-265X
dc.identifier.uri
http://hdl.handle.net/11336/194113
dc.description.abstract
Meloxicam (MLX), a widespread non-steroidal anti-inflammatory drug, exhibits five reported solid forms. However, only crystalline structures of Form I and Form IV, a monohydrate (MH), have been fully elucidated. Form I is the polymorph of choice for pharmaceutical development, nonetheless, the concomitant crystallization of Form I and MH was found in commercial bulk drugs, and the dehydration of MH may lead to the Form V. Such a thermodynamic relationship between Form I/Form V/MH may cause products with inadequate polymorphic purity compromising their final product bioavailability. Therefore, the objective of this work was to evaluate the feasibility of middle- and near-infrared spectroscopies (MIR and NIR, respectively) as well as Raman spectroscopy, coupled to multivariate calibration to quantify MLX-Form I in commercial raw material of this active pharmaceutical ingredient (API). For this purpose, calibration (n = 30) and validation (n = 9) sets of ternary composition (Form I/Form V/MH) were prepared and measured. Each partial least squares (PLS) model was first optimized by interval-PLS; and then, multiplicative scattering correction (MSC), standard normal variate (SNV), detrend, first derivative (D’) and their combinations were evaluated for spectra pre-treatment and exploring the figures of merit of PLS models using a smart approach based on radial diagrams. Three latent variables (LV) and the full spectral ranges were found as optimal conditions for MIR (4000–600 cm−1, MSC) and NIR (12500–4000 cm−1, SNV) while the Raman-PLS method required a reduced spectral range (1650–1030 cm−1, D’) and four LV. The performance of all three optimal PLS models was compared during the validation step using the radial diagrams and the best results were achieved by NIR-PLS. The suitability of the methods was finally determined through the analysis of commercial batches of the API from different suppliers (raw and spiked samples). NIR-PLS model presented the best predictive capacity (recovery 98.4 %, RSD 0.41–2.6 %), as expected. On the other hand, MIR- and Raman-PLS recoveries (99.7 and 100.7 %, respectively) presented higher dispersions (RSD ranges 0.70–4.4 and 0.72–9.3 %, respectively). NIR-PLS emerged as the best technique to evaluate the polymorphic purity in MLX bulk drugs and the radial diagram optimization approach shows to be a powerful tool to increase the performance of PLS models.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
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dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
MELOXICAM
dc.subject
PARTIAL LEAST SQUARES
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POLYMORPHS
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SPECTROSCOPIES
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 comparative approach of MIR, NIR and Raman based chemometric strategies for quantification of Form I of Meloxicam in commercial bulk drug
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2023-04-13T18:18:21Z
dc.journal.volume
180
dc.journal.pagination
1-8
dc.journal.pais
Países Bajos
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dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Antonio, Marina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
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Fil: Carneiro, Renato L.. Universidade Federal do São Carlos; Brasil
dc.description.fil
Fil: Maggio, Ruben Mariano. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
dc.journal.title
Microchemical Journal
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1016/j.microc.2022.107575
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