Three-way partial least-squares regression for the simultaneous kinetic-enzymatic determination of xanthine and hypoxanthine in human urine

José Manuel Amigo, Jordi Coello, Santiago Maspoch

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36 Citations (Scopus)

Abstract

The performance of three-way principal component analysis and three-way partial least-squares regression when applied to a complex kinetic-enzymatic system is studied, in order to investigate the analytical potential of the combined use of these chemometric technologies for non-selective enzymatic systems. A enzymatic-kinetic procedure for the simultaneous determination of hypoxanthine and xanthine in spiked samples of human urine is proposed. The chemical system involves two consecutive reactions catalyzed by xanthine oxidase (EC 1.17.3.2). This enzyme catalyzes the oxidation of hypoxanthine, first to xanthine and then to uric acid, a competitive inhibitor of the reactions. The influence of uric acid during quantitative determination was considered in the design of the calibration set. The sample and enzyme solution were mixed in a stopped-flow module and the reaction was monitored using a diode array spectrophotometer. The recorded data have an intrinsical three-component structure (samples, time and wavelength). This data array was studied via three-way principal component analysis and was modeled for quantitative purposes using a three-way partial least-squares calibration procedure. Results are compared with those obtained by applying classical bilinear PLS to the previously unfolded data matrix. © Springer-Verlag 2005.
Original languageEnglish
Pages (from-to)1380-1388
JournalAnalytical and Bioanalytical Chemistry
Volume382
Issue number6
DOIs
Publication statusPublished - 1 Jul 2005

Keywords

  • Oxipurines
  • Simultaneous kinetic determination
  • Three-way partial least-squares regression
  • Three-way principal component analysis
  • Urine analysis

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