Journal ArticleDOI
Tablet potency of Tianeptine in coated tablets by near infrared spectroscopy: model optimisation, calibration transfer and confidence intervals.
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TLDR
A near infrared (NIR) method was developed for determination of tablet potency of active pharmaceutical ingredient (API) in a complex coated tablet matrix and an easy to use graphical interface was developed to easily determine if the predictions are within the specifications defined by the regulatory organisation.About:
This article is published in Journal of Pharmaceutical and Biomedical Analysis.The article was published on 2011-02-20. It has received 30 citations till now. The article focuses on the topics: Partial least squares regression.read more
Citations
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Journal ArticleDOI
Discrimination between authentic and counterfeit banknotes using Raman spectroscopy and PLS-DA with uncertainty estimation
Mariana R. Almeida,Deleon Nascimento Correa,Werickson Fortunato de Carvalho Rocha,Francisco J.O. Scafi,Ronei J. Poppi +4 more
TL;DR: Raman spectroscopy and chemometric tools were explored as an analytical method to discriminate authentic and counterfeit Real banknotes, offering fast, non-destructive, robust analyses with the possibility of in situ analysis using a portable instrument.
Journal ArticleDOI
Critical review of near-infrared spectroscopic methods validations in pharmaceutical applications.
C. De Bleye,Pierre-François Chavez,Jérôme Mantanus,Roland Djang’eing’a Marini,Ph. Hubert,E. Rozet,Eric Ziemons +6 more
TL;DR: This review gives a comprehensive and critical overview of the methodologies applied to assess the validity of quantitative NIRS methods used in pharmaceutical applications.
Journal ArticleDOI
Standardization from a benchtop to a handheld NIR spectrometer using mathematically mixed NIR spectra to determine fuel quality parameters.
Neirivaldo Cavalcante da Silva,Cláudia Jéssica Cavalcanti,Fernanda Araújo Honorato,José Manuel Amigo,Maria Fernanda Pimentel +4 more
TL;DR: RS procedure provided promising results showing that it is possible to transfer gasoline or D/B blend spectra acquired with a high-resolution benchtop instrument to the handheld MicroNIR using virtual standards as transfer samples.
Journal ArticleDOI
MDL and RMSEP assessment of spectral pretreatments by adding different noises in calibration/validation datasets
TL;DR: This study investigated the robustness of pretreatment methods by adding different simulate noises to validation dataset, calibration and validation datasets, respectively, and found that Multiplicative Scatter Correction and Standard normal variate were substantially more robust to additive noise with smaller REMSP and MDL value.
Journal ArticleDOI
Calibration transfer of near‐infrared spectra for extraction of informative components from spectra with canonical correlation analysis
TL;DR: In this paper, a new calibration transfer method that applies canonical correlation analysis (CCA) to transfer the informative components extracted from a spectral dataset is proposed to reduce the interference of noise, background and non-predicted properties.
References
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Journal ArticleDOI
A comparison of different methods to estimate prediction uncertainty using Partial Least Squares (PLS): A practitioner's perspective
Lin Zhang,Salvador García-Muñoz +1 more
TL;DR: A comparison exercise for selected uncertainty estimation algorithms by testing representative pharmaceutical industrial data sets suggests that none of these algorithms generates accurate coverage rates for all cases considered and the Naive approach should be discouraged for use in uncertainty estimation in practice.
Journal ArticleDOI
An approach to interval estimation in partial least squares regression
TL;DR: This article presented an approach based on the linearization of the partial least squares regression estimator that allows us to construct approximate confidence intervals for predictions from PLS, which can be used to estimate the distribution of the prediction error from calibration models based on PLS.
Journal ArticleDOI
Analysis of low content drug tablets by transmission near infrared spectroscopy: selection of calibration ranges according to multivariate detection and quantitation limits of PLS models.
TL;DR: A strategy for the selection of concentration ranges in the development of multivariate calibration is presented, evaluating the detection and quantitation limits of the obtained multivariate models.
Journal ArticleDOI
Transfer of NIR calibrations for pharmaceutical formulations between different instruments.
TL;DR: It was shown that it is possible to transfer calibrations between instruments of different configurations or even of different types, without loosing the prediction ability of the calibration.
Journal ArticleDOI
Preparing calibration sets for use in pharmaceutical analysis by NIR spectroscopy
TL;DR: NIR spectroscopy is an effective alternative to the reference methods currently used for calibration and the use of the multiplicative curve resolution-alternating least squares algorithm to examine potential polymorphic transformations of the API during granulation is confirmed.
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