English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/19793
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE
Exportar a otros formatos:


Multivariate resolution of NMR labile signals by means of hard- and soft-modelling methods

AuthorsJaumot, Joaquim ; Vives Blázquez, Montse; Gargallo, Raimundo; Tauler, Romà
KeywordsCurve resolution
Protonation equilibria
pKa determination
Issue Date25-Feb-2003
CitationAnalytica Chimica Acta 490(1-2): 253-264 (2003)
AbstractOne of the difficulties frequently encountered when studying acid–base equilibria with NMR spectroscopy is the labile behaviour of the measured signal, which hinders the application of bilinear multivariate data analysis methods. In this work, a mathematical transformation is proposed for the conversion of NMR labile signals to inert signals, which make possible the application of multivariate data analysis methods, based on bilinear data models. The procedure has been applied to the analysis of NMR data corresponding to the acid–base equilibria of nucleotides dCMP and dGMP. Both hard-modelling (EQUISPEC) and soft-modelling (MCR-ALS) approaches have been applied for the analysis and resolution of transformed bilinear NMR data matrices.
Description12 pages, 5 figures, 1 table.-- Printed version published Aug 25, 2003.-- Papers presented at the 8th International Conference on Chemometrics and Analytical Chemistry (Seattle, Washington, United States, Sep 22-26, 2002).
Publisher version (URL)http://dx.doi.org/10.1016/S0003-2670(03)00092-8
Appears in Collections:(IDAEA) Artículos
Files in This Item:
There are no files associated with this item.
Show full item record
Review this work

Related articles:

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.