title: First- and second-order multivariate calibration applied to biological samples: determination of anti-inflammatories in serum and urine.
abstract: First- and second-order multivariate calibration of fluorescence data have been compared as regards the determination of anti-inflammatories and metabolites in the biological fluids serum and urine. The simultaneous resolution of naproxen-salicylic acid mixtures in serum and naproxen-salicylic acid-salicyluric acid mixtures in urine was accomplished and employed for a discussion of the relative advantages of the applied chemometric tools. The analysis of second-order fluorescence excitation-emission matrices was performed using iteratively reweighted generalized rank annihilation method (IRGRAM), parallel factor analysis (PARAFAC), and self-weighted alternating trilinear decomposition (SWATLD). The results were compared with first-order fluorescence emission data analyzed with partial least-squares regression (PLS). In all cases, the performance of the methods was improved through the formation of inclusion complexes of the analytes with beta-cyclodextrin. The concentration ranges in which the analytes could be determined were as follows: naproxen, 0-250 ng mL(-1) in serum and 0-200 ng mL(-1) in urine; salicylic acid, 0-500 ng mL(-1) in serum and 0-300 ng mL(-1) in urine, and salicyluric acid, 0-300 ng mL(-1) in urine.
authors.affiliation: Departamento de Química Analítica, Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Suipacha 531 (S2002LRK) Rosario, Argentina.
authors.forename: Juan A
authors.initials: JA
authors.lastname: Arancibia
authors.forename: Alejandro C
authors.initials: AC
authors.lastname: Olivieri
authors.forename: Graciela M
authors.initials: GM
authors.lastname: Escandar
mesh_terms: D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000097:blood* / Q000652:urine*; D002138:Calibration; D003505:Cyclodextrins / Q000737:chemistry; D006626:Hippurates / Q000652:urine; D006801:Humans; D016018:Least-Squares Analysis; D015999:Multivariate Analysis; D009288:Naproxen / Q000097:blood / Q000652:urine; D020156:Salicylic Acid / Q000097:blood / Q000652:urine; D013050:Spectrometry, Fluorescence / Q000379:methods* / Q000592:standards; D047392:beta-Cyclodextrins
chemical_list: D000894:Anti-Inflammatory Agents, Non-Steroidal; D003505:Cyclodextrins; D006626:Hippurates; D047392:beta-Cyclodextrins; C000693:salicylurate; D009288:Naproxen; C031215:betadex; D020156:Salicylic Acid