Chemometrics tools used in analytical chemistry: An overview

N Kumar, A Bansal, GS Sarma, RK Rawal - Talanta, 2014 - Elsevier
This article presents various important tools of chemometrics utilized as data evaluation
tools generated by various hyphenated analytical techniques including their application …

Quantitative determination in chromatographic analysis based on n-way calibration strategies

MC Ortiz, L Sarabia - Journal of chromatography A, 2007 - Elsevier
Chemometric techniques for calibration with three-way signals are sufficiently developed for
their use in routine analysis. The advantage of the second order property (the possibility of …

Assessment of new constraints applied to the alternating least squares method

A De Juan, Y Vander Heyden, R Tauler… - Analytica Chimica Acta, 1997 - Elsevier
The introduction of constraints in multivariate curve resolution methods, such as the
Alternating Least Squares (ALS), is commonly used to limit the span of possible solutions …

Multivariate curve resolution of overlapping voltammetric peaks: quantitative analysis of binary and quaternary metal mixtures

MC Antunes, JEJ Simão, AC Duarte, R Tauler - Analyst, 2002 - pubs.rsc.org
The application of multivariate curve resolution–alternating least squares (MCR-ALS) to the
quantitative analysis of different metal ion mixtures using voltammetric data is described …

Introduction to multivariate curve resolution

SC Rutan, A de Juan, R Tauler - 2020 - digital.csic.es
This article introduces the general concepts of multivariate curve resolution (MCR). The key
concepts of the curve resolution problem and the general features of MCR reported in the …

Validation of alternating least-squares multivariate curve resolution for chromatographic resolution and quantitation

R Gargallo, R Tauler, F Cuesta-Sanchez… - TrAC Trends in Analytical …, 1996 - Elsevier
The application of multivariate curve resolution using the alternating least-squares (ALS)
method for the resolution and quantitation of mixtures of two co-eluted compounds is …

Factor analysis of hyphenated chromatographic data: exploration, resolution and quantification of multicomponent systems

A de Juan, R Tauler - Journal of Chromatography A, 2007 - Elsevier
Factor analysis (FA) is a family of widely used methods to obtain the underlying sources of
variation of data tables. Typically, hyphenated chromatographic data provide data tables …

Solving liquid chromatography mass spectrometry coelution problems in the analysis of environmental samples by multivariate curve resolution

E Peré-Trepat, S Lacorte, R Tauler - Journal of chromatography A, 2005 - Elsevier
Multivariate curve resolution-alternating least squares (MCR-ALS) is shown to be a powerful
tool to resolve coelution problems in liquid chromatograpy–mass spectrometry (LC–MS) in …

Alternative calibration approaches for LC–MS quantitative determination of coeluted compounds in complex environmental mixtures using multivariate curve …

E Peré-Trepat, S Lacorte, R Tauler - Analytica Chimica Acta, 2007 - Elsevier
Different calibration approaches including external calibration, standard addition and
internal standard are evaluated for quantification of coeluted compounds in liquid …

Application of multivariate self-modeling curve resolution to the quantitation of trace levels of organophosphorus pesticides in natural waters from interlaboratory …

R Tauler, S Lacorte, D Barceló - Journal of Chromatography A, 1996 - Elsevier
Multivariate self-modeling curve resolution is applied to the quantitation of coeluted
organophosphorus pesticides: fenitrothion, azinphos-ethyl, diazinon, fenthion and parathion …