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dc.contributor.author
Olivieri, Alejandro Cesar
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dc.contributor.author
Tauler, Romà
dc.date.available
2018-11-06T20:03:02Z
dc.date.issued
2017-03
dc.identifier.citation
Olivieri, Alejandro Cesar; Tauler, Romà; The effect of data matrix augmentation and constraints in extended multivariate curve resolution–alternating least squares; John Wiley & Sons Ltd; Journal Of Chemometrics; 31; 3; 3-2017; 1-10; e2875
dc.identifier.issn
0886-9383
dc.identifier.uri
http://hdl.handle.net/11336/63828
dc.description.abstract
The reliability of results obtained by multivariate curve resolution (MCR) methods is strongly dependent on the absence or presence of a small degree of rotational ambiguity associated to them. In this work, the effect of rotational ambiguities on the profiles resolved by MCR methods is examined in detail for cases of interest to analytical chemistry, where a number of calibration samples are usually prepared containing analyte standards, while test samples may contain additional uncalibrated constituents. These multiple chemical data sets having common constituents are simultaneously analyzed using matrix augmentation strategies. In these cases, conditions for better resolution and improved profiles are more easily achieved. To evaluate the extension of rotational ambiguities and to quantify their reduction after matrix augmentation, we applied the MCR-BANDS procedure. Results obtained by the application of this procedure confirmed that the simultaneous analysis of multiple data sets decreased considerably the extension of rotational ambiguities compared with those obtained when only a single data set is analyzed. Simulated and experimental data sets of interest to second-order analytical calibration are discussed.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
John Wiley & Sons Ltd
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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
Data Matrix Augmentation
dc.subject
Mixture Analysis with Extended Mcr
dc.subject
Multivariate Curve Resolution
dc.subject
Rotational Ambiguity And Feasible Solutions
dc.subject.classification
Otras Ciencias Químicas
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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
The effect of data matrix augmentation and constraints in extended multivariate curve resolution–alternating least squares
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-10-23T16:35:17Z
dc.journal.volume
31
dc.journal.number
3
dc.journal.pagination
1-10; e2875
dc.journal.pais
Reino Unido
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dc.journal.ciudad
Londres
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: Tauler, Romà. Consejo Superior de Investigaciones Científicas; España
dc.journal.title
Journal Of Chemometrics
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1002/cem.2875
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/cem.2875
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