Literature DB >> 26893081

A review of recent methods for the determination of ranges of feasible solutions resulting from soft modelling analyses of multivariate data.

Azadeh Golshan1, Hamid Abdollahi2, Samira Beyramysoltan3, Marcel Maeder4, Klaus Neymeyr5, Robert Rajkó6, Mathias Sawall7, Romá Tauler8.   

Abstract

Soft modelling or multivariate curve resolution (MCR) are well-known methodologies for the analysis of multivariate data in many different application fields. Results obtained by soft modelling methods are very likely impaired by rotational and scaling ambiguities, i.e. a full range of feasible solutions can describe the data equally well while fulfilling the constraints of the system. These issues are severely limiting the applicability of these methods and therefore, they can be considered as the most challenging ones. The purpose of the current review is to describe and critically compare the available methods that attempt at determining the range of ambiguity for the case of 3-component systems. Theoretical and practical aspects are discussed, based on a collection of simulated examples containing noise-free and noisy data sets as well as an experimental example.
Copyright © 2016 Elsevier B.V. All rights reserved.

Keywords:  Band boundaries of feasible solutions; Rotational ambiguity; Soft modelling; Unique solutions

Year:  2016        PMID: 26893081     DOI: 10.1016/j.aca.2016.01.011

Source DB:  PubMed          Journal:  Anal Chim Acta        ISSN: 0003-2670            Impact factor:   6.558


  3 in total

1.  Unraveling VEALYL Amyloid Formation Using Advanced Vibrational Spectroscopy and Microscopy.

Authors:  Steven J Roeters; Mathias Sawall; Carl E Eskildsen; Matthijs R Panman; Gergely Tordai; Mike Koeman; Klaus Neymeyr; Jeroen Jansen; Age K Smilde; Sander Woutersen
Journal:  Biophys J       Date:  2020-06-03       Impact factor: 4.033

2.  A chemometric study in the area of feasible solution of an acid-base titration of N-methyl-6-oxyquinolone.

Authors:  Mathias Sawall; Stella Schmode; Henning Schröder; Ralf Ludwig; Klaus Neymeyr
Journal:  RSC Adv       Date:  2018-03-12       Impact factor: 3.361

3.  Fast Decomposition of Three-Component Spectra of Fluorescence Quenching by White and Grey Methods of Data Modeling.

Authors:  Andrzej J Kałka; Andrzej M Turek
Journal:  J Fluoresc       Date:  2018-04-03       Impact factor: 2.217

  3 in total

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