title: Multivariate curve resolution of incomplete fused multiset data from chromatographic and spectrophotometric analyses for drug photostability studies.
abstract: An advanced and powerful chemometric approach is proposed for the analysis of incomplete multiset data obtained by fusion of hyphenated liquid chromatographic DAD/MS data with UV spectrophotometric data from acid-base titration and kinetic degradation experiments. Column- and row-wise augmented data blocks were combined and simultaneously processed by means of a new version of the multivariate curve resolution-alternating least squares (MCR-ALS) technique, including the simultaneous analysis of incomplete multiset data from different instrumental techniques. The proposed procedure was applied to the detailed study of the kinetic photodegradation process of the amiloride (AML) drug. All chemical species involved in the degradation and equilibrium reactions were resolved and the pH dependent kinetic pathway described.
authors.affiliation: Department of Pharmacy, Health and Nutritional Sciences, University of Calabria, Via P. Bucci, Rende, CS 87036, Italy. Electronic address: michele.deluca@unical.it.
authors.forename: Michele
authors.initials: M
authors.lastname: De Luca
authors.affiliation: Department of Pharmacy, Health and Nutritional Sciences, University of Calabria, Via P. Bucci, Rende, CS 87036, Italy.
authors.forename: Gaetano
authors.initials: G
authors.lastname: Ragno
authors.affiliation: Department of Pharmacy, Health and Nutritional Sciences, University of Calabria, Via P. Bucci, Rende, CS 87036, Italy.
authors.forename: Giuseppina
authors.initials: G
authors.lastname: Ioele
authors.affiliation: Department of Environmental Chemistry, IDAEA-CSIC, C/Jordi Girona, 18-26, Barcelona 08034, Spain.
authors.forename: Romà
authors.initials: R
authors.lastname: Tauler
mesh_terms: D062646:Acid Sensing Ion Channel Blockers / Q000737:chemistry*; D000584:Amiloride / Q000737:chemistry*; D002845:Chromatography; D004355:Drug Stability; D006863:Hydrogen-Ion Concentration; D013058:Mass Spectrometry / Q000379:methods; D015394:Molecular Structure; D015999:Multivariate Analysis; D013053:Spectrophotometry
chemical_list: D062646:Acid Sensing Ion Channel Blockers; D000584:Amiloride
keywords: Amiloride; Incomplete data multisets; Multivariate curve resolution; Multiway data; Photostability