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dc.contributor.author
Braga, Jez Willian Batista
dc.contributor.author
Allegrini, Franco
dc.contributor.author
Olivieri, Alejandro Cesar
dc.date.available
2018-06-28T18:09:53Z
dc.date.issued
2017-11
dc.identifier.citation
Braga, Jez Willian Batista ; Allegrini, Franco; Olivieri, Alejandro Cesar; Maximum likelihood unfolded principal component regression with residual bilinearization (MLU-PCR/RBL) for second-order multivariate calibration; Elsevier Science; Chemometrics and Intelligent Laboratory Systems; 170; 11-2017; 51-57
dc.identifier.issn
0169-7439
dc.identifier.uri
http://hdl.handle.net/11336/50433
dc.description.abstract
A maximum likelihood model is described for performing second-order multivariate calibration with unfolded principal component regression with residual bilinearization (MLU-PCR/RBL). It differs from the conventional RBL models based on U-PCR or U-PLS (unfolded partial least-squares) in the incorporation of the measurement error information into both the U-PCR calibration and the RBL model phases. The error information is represented by the instrumental error covariance matrix. Simulations were made by adding correlated and proportional noise to synthetic systems consisting of one analyte in the presence of a calibrated and unexpected interferent, under different conditions of overlapping profiles, noise levels and noise types (correlated and proportional). The results show that MLU-PCR/RBL outperforms conventional RBL methods in prediction ability, as confirmed by a detailed study on validation samples through the average prediction error as a convenient figure of merit. Results obtained in experimental data set based on flow injection analysis and UV detection for determination of acetylsalicylic and ascorbic acids in pharmaceutical products also support the theoretical conclusions.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.subject
Error Covariance Matrix
dc.subject
Maximum Likelihood Principal Component Regression
dc.subject
Residual Bilinearization
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Second-Order Multivariate Calibration
dc.subject.classification
Otras Ciencias Químicas
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Maximum likelihood unfolded principal component regression with residual bilinearization (MLU-PCR/RBL) for second-order multivariate calibration
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-06-28T14:08:15Z
dc.journal.volume
170
dc.journal.pagination
51-57
dc.journal.pais
Países Bajos
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Braga, Jez Willian Batista. Universidade do Brasília; Brasil. 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.description.fil
Fil: Allegrini, Franco. 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.description.fil
Fil: Olivieri, Alejandro Cesar. 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
Chemometrics and Intelligent Laboratory Systems
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.chemolab.2017.09.016
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0169743917302150
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