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dc.contributor.author
Olivieri, Alejandro Cesar
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dc.contributor.author
Tauler, Romà
dc.date.available
2021-12-13T18:30:36Z
dc.date.issued
2021-03
dc.identifier.citation
Olivieri, Alejandro Cesar; Tauler, Romà; N-BANDS: A new algorithm for estimating the extension of feasible bands in multivariate curve resolution of multicomponent systems in the presence of noise and rotational ambiguity; John Wiley & Sons Ltd; Journal of Chemometrics; 35; 3; 3-2021; 1-12
dc.identifier.issn
0886-9383
dc.identifier.uri
http://hdl.handle.net/11336/148647
dc.description.abstract
A new algorithm named N-BANDS has been developed for the estimation of the combined effect of noise and rotational ambiguity in the bilinear decomposition of data matrices using the popular multivariate curve resolution–alternating least-squares model. It is based on a nonlinear maximization and minimization of a component-wise signal contribution function (SCF), with a single-objective function and a separate module for applying a variety of constraints. The algorithm can be applied to multicomponent systems and efficiently estimates the extreme component profiles corresponding to maximum and minimum SCF in the presence of varying amounts of instrumental noise. Simulated systems mimicking multicomponent and multisample analytical calibration protocols have been studied, having uncalibrated interferents in the test samples. Different noise structures (independent and identically distributed, proportional and correlated) were added to the data matrices, with results that indicate an increase in the extension of feasible bands as the noise level increases.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
John Wiley & Sons Ltd
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dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
INSTRUMENTAL NOISE
dc.subject
MULTIVARIATE CURVE RESOLUTION
dc.subject
N-BANDS ALGORITHM
dc.subject
ROTATIONAL AMBIGUITY
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
N-BANDS: A new algorithm for estimating the extension of feasible bands in multivariate curve resolution of multicomponent systems in the presence of noise and rotational ambiguity
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2021-12-03T21:09:54Z
dc.journal.volume
35
dc.journal.number
3
dc.journal.pagination
1-12
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. Instituto de Diagnóstico Ambiental y Estudios del Agua; España. Consejo Superior de Investigaciones Científicas; España
dc.journal.title
Journal of Chemometrics
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/cem.3317
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1002/cem.3317
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