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 …

Use and abuse of chemometrics in chromatography

M Daszykowski, B Walczak - TrAC Trends in Analytical Chemistry, 2006 - Elsevier
This article presents a selection of the relevant issues that emerge at the interface between
chromatography and chemometrics. In the first part, we present advantages and drawbacks …

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 …

Multivariate curve resolution combined with gas chromatography to enhance analytical separation in complex samples: A review

LW Hantao, HG Aleme, MP Pedroso, GP Sabin… - Analytica chimica …, 2012 - Elsevier
This review describes the major advantages and pitfalls of iterative and non-iterative
multivariate curve resolution (MCR) methods combined with gas chromatography (GC) data …

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 …

Virtual Chromatographic Resolution Enhancement in Cryoflow LC− NMR Experiments via Statistical Total Correlation Spectroscopy

O Cloarec, A Campbell, L Tseng, U Braumann… - Analytical …, 2007 - ACS Publications
A new approach to enhancing information recovery from cryogenic probe “on-flow” LC−
NMR spectroscopic analyses of complex biological mixtures is demonstrated using a …

A systematic study on the accuracy of chemical quantitative analysis using soft modeling methods

G Ahmadi, H Abdollahi - Chemometrics and Intelligent Laboratory Systems, 2013 - Elsevier
In this study the effect of the rotational ambiguity on the accuracy of quantitative results
obtained with the help of MCR methods is investigated in detail by simulating different …

Recent developments in multivariate calibration

J Gabrielsson, J Trygg - Critical Reviews in Analytical Chemistry, 2006 - Taylor & Francis
This review covers the area of multivariate calibration; from pre-processing of data prior to
modeling and applications of regression methods for calibration and prediction. The …

Assessment of computational approaches in the prediction of spectrogram and chromatogram behaviours of analytes in pharmaceutical analysis: assessment review

M Malarvannan, KV Kumar, YP Reddy, P Nikhil… - Future Journal of …, 2023 - Springer
Background Today, artificial intelligence-based computational approach is facilitating
multitasking and interdisciplinary analytical research. For example, the data gathered during …

Determination of number of significant components and key variables using genetic algorithms in liquid chromatography-nuclear magnetic resonance spectroscopy …

M Wasim, RG Brereton - Chemometrics and intelligent laboratory systems, 2006 - Elsevier
A new method is proposed for determination of the number of significant components in
hyphenated chromatographic data. The method is based on the application of genetic …