Chemometrics tools used in analytical chemistry: An overview
This article presents various important tools of chemometrics utilized as data evaluation
tools generated by various hyphenated analytical techniques including their application …
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 …
chromatography and chemometrics. In the first part, we present advantages and drawbacks …
Quantitative determination in chromatographic analysis based on n-way calibration strategies
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 …
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
This review describes the major advantages and pitfalls of iterative and non-iterative
multivariate curve resolution (MCR) methods combined with gas chromatography (GC) data …
multivariate curve resolution (MCR) methods combined with gas chromatography (GC) data …
Factor analysis of hyphenated chromatographic data: exploration, resolution and quantification of multicomponent systems
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 …
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 …
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 …
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 …
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 …
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 …
hyphenated chromatographic data. The method is based on the application of genetic …