Quantification from highly drifted and overlapped chromatographic peaks using second-order calibration methods

Comas, Enric; Gimeno, R.A; Ferré, Joan; Marcé, Rosa María; Borrull, Francesc; Rius, F. Xavier

doi:10.1016/j.chroma.2004.02.069

Cited by 58 publications

(28 citation statements)

References 30 publications

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“…A comparison of some of the algorithms for fitting the PARAFAC model mentioned above can be found in Faber et al [24], Faber [32], and, for example, in Comas et al [33]. The ALS algorithm is very versatile since it can handle higher-order arrays, constrained models, and weighted least-squares loss functions, so probably ALS is the most popular algorithm for PARAFAC decomposition.…”

Section: Algorithmsmentioning

confidence: 97%

Fundamentals of PARAFAC

Martí

Baldrich

2015

Data Handling in Science and Technology

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Section: Algorithmsmentioning

confidence: 97%

Fundamentals of PARAFAC

Martí

Baldrich

2015

Data Handling in Science and Technology

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“…Many types of pesticides have been analysed using HPLC. In [101] three second-order calibration algorithms (GRAM, PARAFAC and MCR-ALS) were compared in order to determine low levels of pesticides and phenolic compounds in river and wastewater samples. The authors show that if there is a drift problem better results are obtained with techniques that do not require strict trilinearity, such as MCR-ALS, than with techniques that do require trilinearity, such as PARAFAC or GRAM.…”

Section: Environmentalmentioning

confidence: 99%

Analytical applications of second-order calibration methods

Gómez

Callao

2008

Analytica Chimica Acta

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“…In a first group, advantage of the matrix data structure is taken: rank alignment (RA) [45,46] and iterative target transformation factor analysis (ITTFA) [47,48]. In a second group, the maximum correlation between chromatograms is sought: the so-called ChromAlign algorithm [49] and correlation optimized warping (COW) [50][51][52][53].…”

Section: Time Shift Correctionmentioning

confidence: 99%

Chemometric strategies for enhancing the chromatographic methodologies with second-order data analysis of compounds when peaks are overlapped

Goicoechea

Culzoni

García

et al. 2011

Talanta

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This overview covers the different chemometric strategies linked to chromatographic methodologies that have been used and presented in the recent literature to cope with problems related to incomplete separation, the presence of unexpected components in the sample, matrix effect and changes in the analytical signal due to pre-treatment of sample.Among the different chemometric strategies it focuses on pre-treatment of data to correct background and time shift of chromatographic peaks and the use of second-order algorithms to cope with overlapping peaks from analytes or from analytes and interferences in liquid chromatography coupled to diode array, fast-scanning fluorescence spectroscopy and mass spectrometry detectors.Finally the review presents the strategies used to deal with changes in the analytical response as result of matrix effect in liquid and gas chromatography, as well as the use of standardization strategies to correct modifications in the analytical signal as a consequence of sample pre-treatment in liquid chromatography.

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Quantification from highly drifted and overlapped chromatographic peaks using second-order calibration methods

Cited by 58 publications

References 30 publications

Fundamentals of PARAFAC

Fundamentals of PARAFAC

Analytical applications of second-order calibration methods

Chemometric strategies for enhancing the chromatographic methodologies with second-order data analysis of compounds when peaks are overlapped

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