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dc.contributor.author
Ghaffari, Mahdiyeh
dc.contributor.author
Olivieri, Alejandro Cesar
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dc.contributor.author
Abdollahi, Hamid
dc.date.available
2019-10-23T20:53:36Z
dc.date.issued
2018-08
dc.identifier.citation
Ghaffari, Mahdiyeh; Olivieri, Alejandro Cesar; Abdollahi, Hamid; Strategy To Obtain Accurate Analytical Solutions in Second-Order Multivariate Calibration with Curve Resolution Methods
; American Chemical Society; Analytical Chemistry; 90; 16; 8-2018; 9725-9733
dc.identifier.issn
0003-2700
dc.identifier.uri
http://hdl.handle.net/11336/87176
dc.description.abstract
A novel procedure is described for processing the second-order data matrices with multivariate curve resolution-alternating least-squares; while the data set is nontrilinear and severe profile overlapping occurs in the instrumental data modes. The area of feasible solutions can be reduced to a unique solution by including/considering the area correlation constraint, besides the traditional constraints (i.e., non-negativity, unimodality, species correspondence, etc.). The latter is implemented not only for the unknown samples but also for all calibration samples, regardless of their interferent content. The area of correlation constraint was specially designed to remove rotational ambiguity in the chemical data sets when information about calibration samples is at hand. In this contribution a comprehensive strategy is developed to uniquely unravel nontrilinear data sets or data sets with severely overlapped profiles in the instrumental data modes. The approach is illustrated with simulated and experimental data sets. Borgen plots are employed to adequately visualize the extent of rotational ambiguity under non-negativity constraint.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Química Analítica
dc.subject
Quimometría
dc.subject
Espectroscopia
dc.subject
Cromatografía
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
Strategy To Obtain Accurate Analytical Solutions in Second-Order Multivariate Calibration with Curve Resolution Methods
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2019-10-16T19:30:17Z
dc.journal.volume
90
dc.journal.number
16
dc.journal.pagination
9725-9733
dc.journal.pais
Estados Unidos
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dc.description.fil
Fil: Ghaffari, Mahdiyeh. Institute for Advanced Studies in Basic Sciences; Irán
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: Abdollahi, Hamid. Institute for Advanced Studies in Basic Sciences; Irán
dc.journal.title
Analytical Chemistry
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.analchem.8b00336
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.analchem.8b00336
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