English   español  
Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/19793
Compartir / Impacto:
Estadísticas
Add this article to your Mendeley library MendeleyBASE
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Título

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

AutorJaumot, Joaquim; Vives Blázquez, Montse; Gargallo, Raimundo; Tauler, Romà
Palabras claveCurve resolution
Labile–inert
NMR
Protonation equilibria
pKa determination
Nucleotides
Fecha de publicación25-feb-2003
EditorElsevier
CitaciónAnalytica Chimica Acta 490(1-2): 253-264 (2003)
ResumenOne 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.
Descripción12 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).
Versión del editorhttp://dx.doi.org/10.1016/S0003-2670(03)00092-8
URIhttp://hdl.handle.net/10261/19793
DOI10.1016/S0003-2670(03)00092-8
ISSN0003-2670 (Print)
1873-4324 (Online)
Aparece en las colecciones: (IDAEA) Artículos
Ficheros en este ítem:
No hay ficheros asociados a este ítem.
Mostrar el registro completo
 

Artículos relacionados:


NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.