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dc.contributor.author
Olivieri, Alejandro Cesar
dc.contributor.author
Faber, Klaas
dc.date.available
2020-06-24T19:55:34Z
dc.date.issued
2012-02
dc.identifier.citation
Olivieri, Alejandro Cesar; Faber, Klaas; New developments for the sensitivity estimation in four-way calibration with the quadrilinear parallel factor model; American Chemical Society; Analytical Chemistry; 84; 2-2012; 186-193
dc.identifier.issn
0003-2700
dc.identifier.uri
http://hdl.handle.net/11336/108131
dc.description.abstract
Appropriate closed-form expressions are known for estimating analyte sensitivities when calibrating with one-, two-, and three-way data (vectors, matrices, and three-dimensional arrays, respectively, built with data for a group of samples). In this report, sensitivities are estimated for calibration with four-way data using the quadrilinear parallel factor (PARAFAC) model, making it possible to assess important figures of merit for method comparison or optimization. The strategy is based on the computation of the uncertainty in the fitted PARAFAC parameters through the Jacobian matrix. Extensive Monte Carlo noise addition simulations in four-way data systems having widely different overlapping situations are helpfulin supporting the present approach, which was also applied to two experimental analytical systems. With this proposal, the estimation of the PARAFAC sensitivity for calibration scenarios involving three- and four-way data may be considered complete.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
QUIMICA ANALITICA
dc.subject
QUIMIOMETRIA
dc.subject.classification
Química Analítica
dc.subject.classification
Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
New developments for the sensitivity estimation in four-way calibration with the quadrilinear parallel factor model
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-05-05T13:04:14Z
dc.journal.volume
84
dc.journal.pagination
186-193
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Washington DC
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.description.fil
Fil: Faber, Klaas. Chemometry Consultancy; Países Bajos
dc.journal.title
Analytical Chemistry
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/ac202268k
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/ac202268k
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