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Applications of electrochemical data analysis by multivariate curve resolution-alternating least squares
(Elsevier, 2017-03)
Electrochemistry studies the relationship between electricity and identifiable chemical change, with either electricity considered an outcome of a particular chemical change or vice-versa. Chemometrics is the chemical ...
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 ...
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 sensitivity equation for quantitative analysis with multivariate curve resolution-alternating least-squares: Theoretical and experimental approach
(American Chemical Society, 2012-09-11)
A new equation is derived for estimating thesensitivity when the multivariate curve resolution-alternating leastsquares (MCR-ALS) method is applied to second-order multivariatecalibration data. The validity of the expression ...
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 ...
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 ...
A Multivariate curve resolution approach to the study of the degradation kinetics of valsartan under photolytic and acid conditions
(Wiley, 2013-06)
The analysis of UV-spectrophotometric data with second-order chemometrics techniques, including multivariate curve resolution with alternating least-squares (MCR-ALS) and hybrid hard- and soft MCR (HS-MCR), was examined ...