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Achieving the analytical second-order advantage with non-bilinear second-order data
(Elsevier Science, 2021-10)
Multi-way calibration based on second-order data constitutes a revolutionary milestone for analytical applications. However, most classical chemometric models assume that these data fulfil the property of low rank bilinearity, ...
A combined artificial neural network/residual bilinearization approach for obtaining the second-order advantage from three-way non-linear data
(John Wiley & Sons Ltd, 2005-11)
Three-way instrumental data offer the second-order advantage to analysts, a property of great utility in the field of complex sample analysis in the presence of unsuspected components as potential interferents. The available ...
A versatile strategy for achieving the second-order advantage when applying different artificial neural networks to non-linear second-order data: Unfolded principal component analysis/residual bilinearization
(Elsevier Science, 2008-05)
Second-order instrumental signals showing a non-linear behaviour with respect to analyte concentration can still be adequately processed in order to achieve the important second-order advantage. The combination of unfolded ...
Fast chromatographic method for the determination of dyes in beverages by using high performance liquid chromatography-Diode array detection data and second order algorithms
(Elsevier Science, 2009-09)
A fast chromatographic methodology is presented for the analysis of three synthetic dyes in non-alcoholic beverages: amaranth (E123), sunset yellow FCF (E110) and tartrazine (E102). Seven soft drinks (purchased from a local ...
Generation of non-multilinear three-way voltammetric arrays by an electrochemically oxidized glassy carbon electrode as an efficient electronic device to achieving secondorder advantage: Challenges, and tailored applications
(Elsevier, 2015-01)
For the first time, several second-order calibration models based on artificial neural network-residual bilinearization (ANN-RBL), unfolded-partial least squares-RBL (U-PLS/RBL), multidimensional-partial least squares-RBL ...
Modeling nonbilinear total synchronous fluorescence data matrices with a novel adapted partial least squares method
(Elsevier, 2015-01)
A new residual modeling algorithm for nonbilinear data is presented, namely unfolded partial least squares with interference modeling of non bilinear data by multivariate curve resolution by alternating least squares ...
Contribution to second-order calibration based on multivariate curve resolution with and without previous chromatographic synchronization
(Elsevier Science, 2019-10-31)
Rotational ambiguity in the bilinear solutions provided by multivariate curve resolution - alternating least-squares (MCR-ALS) leads to an additional source of uncertainty in the estimation of analyte concentrations by ...
Aplicación de modelado quimiométrico a datos de segundo orden como herramienta para la corrección de problemas de interferencias en la determinación de analitos en muestras complejas
(2014-11-10)
En la presente tesis se desarrollaron y validaron nuevas metodologías analíticas mediante la combinación de instrumentación sencilla y algoritmos quimiométricos adecuados. Los métodos propuestos permitieron la determinación ...