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Evaluation of the ambiguity in second-order analytical calibration based on multivariate curve resolution: A tutorial
(Elsevier Science, 2022-08)
The aims of the present tutorial are the following: (1) to show the importance of applying all the chemically sensible constraints which are necessary to retrieve interpretable component profiles when processing second-order ...
Near infrared spectroscopy and multivariate curve resolution-alternating least squares incorporating 13C-NMR information for monitoring epoxy resins reactions
(John Wiley & Sons Ltd, 2007-09-19)
This paper describes how data from two instrumental techniques - near infrared spectroscopy (NIR) and 13C nuclear magnetic resonance ( 13C-NMR) - are combined by means of multivariate curve resolution-alternating least ...
Quantum chemical computation-based strategy for alternating least squares initialization in multivariate curve resolution analysis of spectral-pH data
(Elsevier Science, 2018-07)
The main motivation of this work is to provide initial estimates for the initialization of the iterative optimization within the multivariate curve resolution - alternating least squares (MCR-ALS) algorithm for the ...
Second order advantage in the determination of amaranth, sunset yellow FCF and tartrazine by UV-vis and multivariate curve resolution-alternating least squares
(Elsevier Science, 2009-11)
A direct spectrophotometric method for the determination of three artificial colors - amaranth, sunset yellow FCF and tartrazine - in beverages samples is proposed. The spectra were recorded between 359 and 600 nm. The ...
Novel combination of non-aqueous capillary electrophoresis and multivariate curve resolution-alternating least squares to determine phenolic acids in virgin olive oil
(Elsevier, 2013-02)
This paper presents the development of a non-aqueous capillary electrophoresis method coupled to UV detection combined with multivariate curve resolution-alternating least-squares (MCR-ALS) to carry out the resolution and ...
Multi-analyte quantification in bioprocesses by FTIR spectroscopy using Partial Least Squares Regression and Multivariate Curve Resolution
(Elsevier Science, 2014-01)
This paper presents the quantification of Penicillin V and phenoxyacetic acid, a precursor, inline during Pencillium chrysogenum fermentations by FTIR spectroscopy and partial least squares (PLS) regression and multivariate ...
Interference-free calibration with first-order instrumental data and multivariate curve resolution: when and why?
(Elsevier Science, 2021-05)
The possibility of building an interference-free calibration with first-order instrumental data with multivariate curve resolution-alternating least-squares (MCR-ALS) has been a recent topic of interest. When the protocols ...
A down-to-earth analyst view of rotational ambiguity in second-order calibration with multivariate curve resolution: a tutorial
(Elsevier Science, 2021-04)
Rotational ambiguity is a phenomenon with the potential of generating an uncertainty in the estimation of analyte concentrations in protocols based on matrix instrumental data processed by multivariate curve resolution - ...
Multivariate curve resolution strategy for non-quadrilinear type 4 third-order/four way liquid chromatography–excitation-emission fluorescence matrix data
(Elsevier Science, 2018-11)
For the first time, a third-order/four-way system having instrumental modes depending on each other was experimentally generated and it was successfully resolved. Non-quadrilinear type 4 data, constituted by liquid ...