Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/19408
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Título: | Application of a combination of hard and soft modeling for equilibrium systems to the quantitative analysis of pH-modulated mixture samples |
Autor: | Diewok, Josef; Juan, Anna de; Maeder, Marcel; Tauler, Romà CSIC ORCID; Lendl, Bernhard | Palabras clave: | pH-Modulated Mixture Hard-modeling equilibrium constraint MCR-ALS approach |
Fecha de publicación: | 1-feb-2003 | Editor: | American Chemical Society | Citación: | Analytical Chemistry 75(3): 641-647 (2003) | Resumen: | pH modulation of aqueous mixture samples combined with FT-IR detection and a powerful second-order resolution method is proposed for both resolution and quantitation of acid analytes in the presence of similarly behaving interferences. The proposed method allows for the analyte determination in mixtures using a single standard sample per analyte. Due to the very similar pKa values of the investigated analytes and interferences, the highly correlated concentration profiles of these compounds cannot be successfully resolved with pure soft-modeling second-order approaches. The inclusion of a hard-modeling constraint based on the acid−base equilibrium model in the soft-modeling curve resolution method has allowed for the unambiguous resolution of the analyte profiles and, as a consequence, for the correct quantitation of this compound in the mixture sample. A detailed discussion of the combined hard−soft-modeling approach as well as the analytical problem and the quantitation results is given. Also, strategies to overcome problems associated with variation in pKa values between different samples are addressed. Due to the flexible implementation of the hard-model equilibrium constraint in the multivariate curve resolution-alternating least squares method, this approach is expected to be useful also for analysis of other complex mixed equilibrium-based chemical systems. | Descripción: | 7 pages, 3 figures, 3 tables.-- PMID: 12585496 [PubMed].-- Available online Dec 24, 2002. | Versión del editor: | http://dx.doi.org/10.1021/ac026248j | URI: | http://hdl.handle.net/10261/19408 | DOI: | 10.1021/ac026248j | ISSN: | 0003-2700 | E-ISSN: | 1520-6882 |
Aparece en las colecciones: | (IDAEA) Artículos |
Mostrar el registro completo
CORE Recommender
SCOPUSTM
Citations
92
checked on 08-abr-2024
WEB OF SCIENCETM
Citations
86
checked on 22-feb-2024
Page view(s)
337
checked on 23-abr-2024
Google ScholarTM
Check
Altmetric
Altmetric
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.