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dc.contributor.author
Araújo Gomes, Adriano de  
dc.contributor.author
Alcaraz, Mirta Raquel  
dc.contributor.author
Goicoechea, Hector Casimiro  
dc.contributor.author
Araújo, Mario Cesar U.  
dc.date.available
2017-12-21T15:29:44Z  
dc.date.issued
2013-12  
dc.identifier.citation
Araújo, Mario Cesar U.; Goicoechea, Hector Casimiro; Alcaraz, Mirta Raquel; Araújo Gomes, Adriano de; The Successive Projections Algorithm for interval selection in trilinear partial least-squares with residual bilinearization; Elsevier; Analytica Chimica Acta; 811; 12-2013; 13-22  
dc.identifier.issn
0003-2670  
dc.identifier.uri
http://hdl.handle.net/11336/31217  
dc.description.abstract
In this work the Successive Projection Algorithm is presented for intervals selection in N-PLS for three-way data modeling. The proposed algorithm combines noise-reduction properties of PLS with the possibility of discarding uninformative variables in SPA. In addition, second-order advantage can be achieved by the residual bilinearization (RBL) procedure when an unexpected constituent is present in a test sample. For this purpose, SPA was modified in order to select intervals for use in trilinear PLS. The ability of the proposed algorithm, namely iSPA-N-PLS, was evaluated on one simulated and two experimental data sets, comparing the results to those obtained by N-PLS. In the simulated system, two analytes were quantitated in two test sets, with and without unexpected constituent. In the first experimental system, the determination of the four fluorophores (l-phenylalanine; l-3,4-dihydroxyphenylalanine; 1,4-dihydroxybenzene and l-tryptophan) was conducted with excitation-emission data matrices. In the second experimental system, quantitation of ofloxacin was performed in water samples containing two other uncalibrated quinolones (ciprofloxacin and danofloxacin) by high performance liquid chromatography with UV–vis diode array detector. For comparison purpose, a GA algorithm coupled with N-PLS/RBL was also used in this work. In most of the studied cases iSPA-N-PLS proved to be a promising tool for selection of variables in second-order calibration, generating models with smaller RMSEP, when compared to both the global model using all of the sensors in two dimensions and GA-NPLS/RBL.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Elsevier  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Multiway Data  
dc.subject
Variable Selection  
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Second Order Advantage  
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Second Order Calibration  
dc.subject.classification
Otras Ciencias Químicas  
dc.subject.classification
Ciencias Químicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
The Successive Projections Algorithm for interval selection in trilinear partial least-squares with residual bilinearization  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2017-12-21T14:07:20Z  
dc.journal.volume
811  
dc.journal.pagination
13-22  
dc.journal.pais
Países Bajos  
dc.journal.ciudad
Ámsterdam  
dc.description.fil
Fil: Araújo Gomes, Adriano de. Universidade Federal da Paraíba; Brasil  
dc.description.fil
Fil: Alcaraz, Mirta Raquel. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina  
dc.description.fil
Fil: Goicoechea, Hector Casimiro. Universidade Federal da Paraíba; Brasil. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina  
dc.description.fil
Fil: Araújo, Mario Cesar U.. Universidade Federal da Paraíba; Brasil  
dc.journal.title
Analytica Chimica Acta  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0003267013015717  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.aca.2013.12.022