title: On line photochemically induced excitation-emission-kinetic four-way data: analytical application for the determination of folic acid and its two main metabolites in serum by U-PLS and N-PLS/residual trilinearization (RTL) calibration.
abstract: The determination of folic acid and its two main serum metabolites, 5-methyltetrahydrofolic acid and tetrahydrofolic acid, has been accomplished using four-way data modelled by the third-order multivariate calibration methods unfolded and N-dimensional partial least-squares (U-PLS and N-PLS), in combination with the separate procedure known as residual trilinearization (RTL). The four-way data were acquired by following the photochemical reaction of these compounds by on line irradiation with a UV lamp. The excitation-emission matrices (EEMs) were recorded as a function of the irradiation time, using a fast scanning spectrofluorimeter. The method achieves selectivity from the different rates at which the corresponding photoproducts of the folic acid derivatives are formed and degraded. Several N-dimensional chemometric algorithms were used and the method was applied to the determination of these compounds in serum samples. The best algorithms to perform the multivariate calibration were U-PLS and N-PLS in combination with the separate residual trilinearization procedure, achieving the second-order advantage. The approach allows minimizing or eliminating traditionally time-consuming sample pre-treatments and can facilitate quantifying an analyte in its native environment.
authors.affiliation: Department of Analytical Chemistry, University of Extremadura, 06071 Badajoz, Spain.
authors.forename: A
authors.initials: A
authors.lastname: Jiménez Girón
authors.forename: I
authors.initials: I
authors.lastname: Durán-Merás
authors.forename: A
authors.initials: A
authors.lastname: Espinosa-Mansilla
authors.forename: A
authors.initials: A
authors.lastname: Muñoz de la Peña
authors.forename: F
authors.initials: F
authors.lastname: Cañada Cañada
authors.forename: A C
authors.initials: AC
authors.lastname: Olivieri
mesh_terms: D002138:Calibration; D005492:Folic Acid / Q000097:blood*; D006801:Humans; D007700:Kinetics; D009862:Online Systems / Q000295:instrumentation*; D010777:Photochemistry
chemical_list: D005492:Folic Acid