title: Multivariate curve resolution applied to the simultaneous analysis of electrochemical and spectroscopic data: study of the Cd(II)/glutathione-fragment system by voltammetry and circular dichroism spectroscopy.
abstract: Multivariate curve resolution with alternating least squares (MCR-ALS) is applied for the first time to the simultaneous analysis of electrochemical and spectroscopic data. Then, a data analysis is done with augmented matrices constituted by Differential Pulse Polarography and Circular Dichroism data submatrices. The use of proper, and different for each submatrix, constrains in the iterative ALS optimization allows to obtain chemically meaningful results constituted by a common matrix containing the concentration profiles, and two matrices with the pure electrochemical and spectroscopic signals. MCR-ALS is applied to the study of the complexation of Cd by Cys-Gly, a glutathione-fragment of great interest for understanding metal-phytochelatins complexation.
authors: Departament de Química Analítica, Facultat de Química, Universitat de Barcelona, Martí i Franquès 1-11, E-08028 Barcelona, Spain.
authors: Arístides
authors: A
authors: Alberich
authors: Cristina
authors: C
authors: Ariño
authors: José Manuel
authors: JM
authors: Díaz-Cruz
authors: Miquel
authors: M
authors: Esteban
mesh_terms: D002104:Cadmium / Q000737:chemistry*; D002942:Circular Dichroism / Q000706:statistics & numerical data*; D004151:Dipeptides / Q000737:chemistry*; D005978:Glutathione; D016018:Least-Squares Analysis; D015999:Multivariate Analysis; D011048:Polarography / Q000706:statistics & numerical data*
chemical_list: D004151:Dipeptides; D002104:Cadmium; C028505:cysteinylglycine; D005978:Glutathione