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   Articles with "multivariate curve" as a keyword



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Study of chemical compound spatial distribution in biodegradable active films using NIR hyperspectral imaging and multivariate curve resolution

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recommendations! Published in 2019 at "Journal of Chemometrics"

DOI: 10.1002/cem.3193

Abstract: A study of spatial distribution of the four different plasticizers and sorbic acid incorporated in cellulose acetate biodegradable films using near‐infrared hyperspectral imaging (NIR‐HSI) and multivariate curve resolution—alternating least squares (MCR‐ALS) is presented. A NIR‐HSI… read more here.

Keywords: hyperspectral imaging; study; multivariate curve; films using ... See more keywords
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Determining Cu–Speciation in the Cu–CHA Zeolite Catalyst: The Potential of Multivariate Curve Resolution Analysis of In Situ XAS Data

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recommendations! Published in 2018 at "Topics in Catalysis"

DOI: 10.1007/s11244-018-1036-9

Abstract: The Cu–CHA zeolite today represents an attractive platform to design catalysts for deNOx applications by NH3-assisted selective catalytic reduction (NH3–SCR) and for the low-temperature selective oxidation of methane to methanol (MTM). Accessing a quantitative understanding… read more here.

Keywords: resolution; analysis; cha zeolite; cha ... See more keywords
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Untargeted assignment and automatic integration of 1H NMR metabolomic datasets using a multivariate curve resolution approach.

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recommendations! Published in 2017 at "Analytica chimica acta"

DOI: 10.1016/j.aca.2017.02.010

Abstract: In this article, we propose the use of the Multivariate Curve Resolution - Alternating Least Squares (MCR-ALS) chemometrics method to resolve the 1H NMR spectra and concentration of the individual metabolites in their mixtures in… read more here.

Keywords: multivariate curve; curve resolution; mcr als;
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Application of a sparseness constraint in multivariate curve resolution - Alternating least squares.

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recommendations! Published in 2018 at "Analytica chimica acta"

DOI: 10.1016/j.aca.2017.08.021

Abstract: The use of sparseness in chemometrics is a concept that has increased in popularity. The advantage is, above all, a better interpretability of the results obtained. In this work, sparseness is implemented as a constraint… read more here.

Keywords: constraint multivariate; sparseness constraint; least squares; sparseness ... See more keywords
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Accurate anisotropy recovery from fluorophore mixtures using Multivariate Curve Resolution (MCR).

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recommendations! Published in 2018 at "Analytica chimica acta"

DOI: 10.1016/j.aca.2017.11.031

Abstract: Anisotropy resolved multidimensional emission spectroscopy (ARMES) provides valuable insights into multi-fluorophore systems like proteins that have complex overlapping emission bands. The method combines multidimensional fluorescence, anisotropy, and chemometrics to facilitate the differentiation of fluorophores with… read more here.

Keywords: multivariate curve; fluorophore mixtures; using multivariate; anisotropy ... See more keywords
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Towards enhanced metabolomic data analysis of mass spectrometry image: Multivariate Curve Resolution and Machine Learning.

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recommendations! Published in 2018 at "Analytica chimica acta"

DOI: 10.1016/j.aca.2018.02.031

Abstract: Large amounts of data are generally produced from mass spectrometry imaging (MSI) experiments in obtaining the molecular and spatial information of biological samples. Traditionally, MS images are constructed using manually selected ions, and it is… read more here.

Keywords: data analysis; msi; analysis; multivariate curve ... See more keywords

On second-order calibration based on multivariate curve resolution in the presence of highly overlapped profiles.

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recommendations! Published in 2020 at "Analytica chimica acta"

DOI: 10.1016/j.aca.2019.10.053

Abstract: Multivariate curve resolution has been applied to both simulated and experimental data sets where high or even complete overlapping occurs between component profiles in one data mode. It is shown that rotational ambiguity exists in… read more here.

Keywords: multivariate curve; curve resolution; second order; presence ... See more keywords

Dissolution of surfactant mixtures investigated through hyperspectral imaging and multivariate curve resolution

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recommendations! Published in 2020 at "Chemical Engineering Science"

DOI: 10.1016/j.ces.2019.115378

Abstract: Abstract Linear solvent penetration experiments are used to study the dissolution of mixed surfactant pastes consisting of two surfactants and water by means of confocal Raman microscopy. During the experiment, Raman spectra were collected along… read more here.

Keywords: hyperspectral imaging; microscopy; multivariate curve; dissolution ... See more keywords
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Comparative multivariate curve resolution study in the area of feasible solutions

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recommendations! Published in 2017 at "Chemometrics and Intelligent Laboratory Systems"

DOI: 10.1016/j.chemolab.2017.02.002

Abstract: Abstract Multivariate curve resolution (MCR) methods as MCR-ALS, ReactLab, the peak group analysis and SVD-based hard-modeling methods differ in their algorithms and the underlying optimization procedures. These differences include variants in the implementation of the… read more here.

Keywords: multivariate curve; area feasible; curve resolution; feasible solutions ... See more keywords
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Investigation of the photodegradation profile of tamoxifen using spectroscopic and chromatographic analysis and multivariate curve resolution

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recommendations! Published in 2018 at "Chemometrics and Intelligent Laboratory Systems"

DOI: 10.1016/j.chemolab.2018.01.011

Abstract: Abstract Photodegradation of tamoxifen (TAM) is investigated by chemometric analysis of the multiset data obtained by LC-DAD/MS and UV spectrophotometry. A hydroalcoholic solution of TAM was submitted to photodegradation by means of a dedicate irradiation… read more here.

Keywords: resolution; photodegradation; analysis; multivariate curve ... See more keywords

On the restrictiveness of equality constraints in multivariate curve resolution

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recommendations! Published in 2020 at "Chemometrics and Intelligent Laboratory Systems"

DOI: 10.1016/j.chemolab.2020.103942

Abstract: Abstract Multivariate curve resolution methods suffer from the non-uniqueness of the solutions of the nonnegative matrix factorization problem. The solution ambiguity can be considerably reduced by equality constraints in the form of known spectra or… read more here.

Keywords: multivariate curve; restrictiveness equality; equality constraints; curve resolution ... See more keywords