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Multivariate curve resolution applied to second order data
Abstract Application of multivariate curve resolution to second order data from hyphenated liquid chromatography with spectrometric diode array detection is shown. Chromatographic analysis of samplesExpand
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A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB
A new graphical user-friendly interface for Multivariate Curve Resolution using Alternating Least Squares has been developed as a freely available MATLAB toolbox. Expand
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Impact of pesticides used in agriculture and vineyards to surface and groundwater quality (North Spain).
An environmental monitoring program was carried out to determine the impact of eight pesticides on the surface and groundwater quality of agricultural areas within the Ebro, Duero and Miño riverExpand
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Chemometrics applied to unravel multicomponent processes and mixtures: Revisiting latest trends in multivariate resolution
Abstract Progress in the analysis of multicomponent processes and mixtures relies on the combination of sophisticated instrumental techniques and suitable data analysis tools focused on theExpand
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Selectivity, local rank, three‐way data analysis and ambiguity in multivariate curve resolution
A new multivariate curve resolution method is presented and tested with data of various levels of complexity. Rotational and intensity ambiguities and the effect of selectivity on resolution are theExpand
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Multivariate curve resolution applied to spectral data from multiple runs of an industrial process
A method for extracting information from spectroscopic data gathered during process monitoring is described and applied to an industrial problem. The method allows the estimation of the changes inExpand
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MCR-ALS GUI 2.0: New features and applications
An updated version of the graphical user-friendly interface related to the Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) algorithm is presented. Expand
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Vibrational spectroscopic image analysis of biological material using multivariate curve resolution–alternating least squares (MCR-ALS)
Raman and Fourier transform IR (FTIR) microspectroscopic images of biological material (tissue sections) contain detailed information about their chemical composition. The challenge lies inExpand
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Comparison of the variable importance in projection (VIP) and of the selectivity ratio (SR) methods for variable selection and interpretation
This study compares the application of two variable selection methods in partial least squares regression (PLSR), the variable importance in projection (VIP) method and the selectivity ratio (SR)Expand
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Organic micropollutants in coastal waters from NW Mediterranean Sea: sources distribution and potential risk.
This study provides a first estimation on the sources, distribution and risk of organic micropollutants (OMPs) in coastal waters from NW Mediterranean Sea. Polycyclic aromatic hydrocarbons,Expand
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