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 …

Multivariate Curve Resolution (MCR). Solving the mixture analysis problem

A De Juan, J Jaumot, R Tauler - Analytical Methods, 2014 - pubs.rsc.org
This article is a tutorial that focuses on the main aspects to be considered when applying
Multivariate Curve Resolution to analyze multicomponent systems, particularly when the …

Principal component analysis

S Wold, K Esbensen, P Geladi - Chemometrics and intelligent laboratory …, 1987 - Elsevier
Principal component analysis of a data matrix extracts the dominant patterns in the matrix in
terms of a complementary set of score and loading plots. It is the responsibility of the data …

[HTML][HTML] Global and target analysis of time-resolved spectra

IHM van Stokkum, DS Larsen… - Biochimica et Biophysica …, 2004 - Elsevier
In biological/bioenergetics research the response of a complex system to an externally
applied perturbation is often studied. Spectroscopic measurements at multiple wavelengths …

Interactive self-modeling mixture analysis

W Windig, J Guilment - Analytical chemistry, 1991 - ACS Publications
In the analytical environment, spectral data resulting from the analysis of samples often
represent mixtures. To extract Information about pure components often Is a major problem …

Selectivity, local rank, three‐way data analysis and ambiguity in multivariate curve resolution

R Tauler, A Smilde, B Kowalski - Journal of Chemometrics, 1995 - Wiley Online Library
A new multivariate curve resolution method is presented and tested with data of various
levels of complexity. Rotational and intensity ambiguities and the effect of selectivity on …

Chemometrics applied to unravel multicomponent processes and mixtures: Revisiting latest trends in multivariate resolution

A De Juan, R Tauler - Analytica Chimica Acta, 2003 - Elsevier
Progress in the analysis of multicomponent processes and mixtures relies on the
combination of sophisticated instrumental techniques and suitable data analysis tools …

Multivariate curve resolution applied to spectral data from multiple runs of an industrial process

R Tauler, B Kowalski, S Fleming - Analytical chemistry, 1993 - ACS Publications
A method for extracting information from spec-troscopic data gathered during process
monitoring is described and applied to an industrial problem. The method allows the …

Self-modeling mixture analysis of second-derivative near-infrared spectral data using the SIMPLISMA approach

W Windig, DA Stephenson - Analytical Chemistry, 1992 - ACS Publications
One of the major methods used to resolve spectral data by self-modeling techniques
requires the presence of pure variables. A pure variable is a variable that has an intensity …

Multivariate curve resolution applied to liquid chromatography—diode array detection

R Tauler, D Barceló - TrAC Trends in Analytical Chemistry, 1993 - Elsevier
Multivariate curve resolution methods can be used for the quantitation of the overlapping
components in a chromatographic peak. Initial qualitative solutions obtained by self …