Multivariate Curve Resolution: 50 years addressing the mixture analysis problem–A review

A de Juan, R Tauler - Analytica Chimica Acta, 2021 - Elsevier
Abstract Multivariate Curve Resolution (MCR) covers a wide span of algorithms designed to
tackle the mixture analysis problem by expressing the original data through a bilinear model …

Multiset data analysis: extended multivariate curve resolution

R Tauler, M Maeder, A De Juan - 2020 - digital.csic.es
In this article, the extension of the Multivariate Curve Resolution Alternating Least Squares
(MCR-ALS) method to the simultaneous analysis of multiple data sets bearing information in …

[图书][B] Multiblock data fusion in statistics and machine learning: Applications in the natural and life sciences

AK Smilde, T Næs, KH Liland - 2022 - books.google.com
Multiblock Data Fusion in Statistics and Machine Learning Explore the advantages and
shortcomings of various forms of multiblock analysis, and the relationships between them …

Dealing with missing data blocks in Multivariate Curve Resolution. Towards a general framework based on a single factorization model.

A Gómez-Sánchez, C Ruckebusch, R Tauler… - TrAC Trends in …, 2024 - Elsevier
Abstract Multivariate Curve Resolution (MCR) deals with the mixture analysis problem by
decomposing a data set with mixed information into a bilinear model of pure component …

[HTML][HTML] UV-Vis absorption spectrophotometry and LC-DAD-MS-ESI (+)-ESI (−) coupled to chemometrics analysis of the monitoring of sulfamethoxazole degradation …

A Queral-Beltran, M Marín-García, S Lacorte… - Analytica chimica …, 2023 - Elsevier
Sulfamethoxazole (SMX) is one of the most widely used antibiotics worldwide and has been
detected at high concentrations in wastewater treatment plant effluents and river waters. In …

Experimental, computational and chemometrics studies of BSA-vitamin B6 interaction by UV–Vis, FT-IR, fluorescence spectroscopy, molecular dynamics simulation …

F Manouchehri, Y Izadmanesh, E Aghaee… - Bioorganic …, 2016 - Elsevier
The interaction of pyridoxine (Vitamin B6) with bovine serum albumin (BSA) is investigated
under pseudo-physiological conditions by UV–Vis, fluorescence and FTIR spectroscopy …

A novel multivariate curve resolution-alternating least squares (MCR-ALS) methodology for application in hyperspectral Raman imaging analysis

JP Smith, EC Holahan, FC Smith, V Marrero… - Analyst, 2019 - pubs.rsc.org
Multivariate curve resolution-alternating least squares (MCR-ALS) applied to hyperspectral
Raman imaging is extensively used to spatially and spectrally resolve the individual, pure …

Multivariate curve resolution-alternating least squares for spectroscopic data

A De Juan, R Tauler - Data Handling in Science and Technology, 2016 - Elsevier
The chapter describes the algorithm multivariate curve resolution-alternating least squares
(MCR-ALS), paying special attention to applications to analyze spectroscopic data. The …

Three-way analysis of pH-UV absorbance dataset for the determination of paracetamol and its pKa value in presence of excipients

E Dinç, ZC Ertekin, N Ünal - Spectrochimica Acta Part A: Molecular and …, 2020 - Elsevier
A three-way analysis method, parallel factor analysis (PARAFAC) model was applied to the
pH-absorbance dataset for the simultaneous determination of paracetamol and its acid-base …

Area correlation constraint for the MCR− ALS quantification of cholesterol using EEM fluorescence data: A new approach

AC de Oliveira Neves, R Tauler, KMG de Lima - Analytica Chimica Acta, 2016 - Elsevier
This work demonstrates the use of a new additional constraint for the Multivariate Curve
Resolution− Alternating Least Squares (MCR− ALS) algorithm called “area correlation …