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dc.contributor.author
Olivieri, Alejandro Cesar
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dc.contributor.author
Sawall, Mathias
dc.contributor.author
Neymeyr, Klaus
dc.contributor.author
Tauler, Romà
dc.date.available
2023-07-17T15:46:42Z
dc.date.issued
2022-09
dc.identifier.citation
Olivieri, Alejandro Cesar; Sawall, Mathias; Neymeyr, Klaus; Tauler, Romà; Noise effects on band boundaries in multivariate curve resolution of three-component systems; Elsevier Science; Chemometrics and Intelligent Laboratory Systems; 228; 9-2022; 1-9
dc.identifier.issn
0169-7439
dc.identifier.uri
http://hdl.handle.net/11336/204193
dc.description.abstract
The boundaries of the set of feasible bilinear solutions for three-component systems have been estimated in the presence of noise, as a sequel of a previous report on two-component data sets. Simulations involving a significant degree of overlap among component profiles in both matrix modes have been analyzed using FACPACK and the recently described sensor-wise N-BANDS model. The latter computes the upper and lower envelopes of the set of profiles showing maximum and minimum intensity at each sensor. For three and more components, the graphical representation of the extreme profiles corresponding to maximum and minimum signal contribution function provided by methods such as MCR-BANDS and N-BANDS do not enclose, in general, the full set of feasible profiles. The present results were obtained under non-negativity as the only constraint on the profiles, and were successfully compared with those obtained using a noise addition procedure. A three-component experimental system was also analyzed regarding the combined effect of rotational ambiguity and instrumental noise.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
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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
FACPACK
dc.subject
NOISE EFFECTS
dc.subject
ROTATIONAL AMBIGUITY
dc.subject
SENSOR-WISE N-BANDS
dc.subject
THREE COMPONENTS
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
Noise effects on band boundaries in multivariate curve resolution of three-component systems
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2023-07-10T10:41:51Z
dc.journal.volume
228
dc.journal.pagination
1-9
dc.journal.pais
Países Bajos
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dc.journal.ciudad
Amsterdam
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: Sawall, Mathias. Universität Rostock; Alemania
dc.description.fil
Fil: Neymeyr, Klaus. Leibniz Institute For Catalysis; Alemania. Universität Rostock; Alemania
dc.description.fil
Fil: Tauler, Romà. Consejo Superior de Investigaciones Científicas. Instituto de Diagnostico Ambiental y Estudios del Agua;
dc.journal.title
Chemometrics and Intelligent Laboratory Systems
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0169743922001472
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.chemolab.2022.104636
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