title: Powerful combination of analytical and chemometric methods for the photodegradation of 5-Fluorouracil.
abstract: The photodegradation of the antineoplastic drug 5-fluorouracil (5-FU) under the action of UV light was studied using UV-vis spectroscopy and High Performance Liquid Chromatography coupled to Diode Array Detector and High Resolution Mass Spectrometry (HPLC-DAD-HRMS). To analyze, integrate and interpret the degradation kinetics, the Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) chemometric method has been applied. The high complexity of the photodegradation process of this drug involving up to seven different photoproducts showed the advantages of the proposed approach which provides simultaneously mechanistic and structural information explaining the 5-FU photodegradability. Moreover, this study provides a new tool to be used for elucidating the photodegradation kinetics at real time.
authors.affiliation: Department of Environmental Chemistry, IDAEA-CSIC, Jordi Girona 18-26, 08034 Barcelona, Catalonia, Spain. Electronic address: cristian.gomez@cid.csic.es.
authors.forename: Cristian
authors.initials: C
authors.lastname: Gómez-Canela
authors.affiliation: Department of Environmental Chemistry, IDAEA-CSIC, Jordi Girona 18-26, 08034 Barcelona, Catalonia, Spain.
authors.forename: Gabino
authors.initials: G
authors.lastname: Bolivar-Subirats
authors.affiliation: Department of Environmental Chemistry, IDAEA-CSIC, Jordi Girona 18-26, 08034 Barcelona, Catalonia, Spain.
authors.forename: Romà
authors.initials: R
authors.lastname: Tauler
authors.affiliation: Department of Environmental Chemistry, IDAEA-CSIC, Jordi Girona 18-26, 08034 Barcelona, Catalonia, Spain.
authors.forename: Silvia
authors.initials: S
authors.lastname: Lacorte
mesh_terms: D002623:Chemistry Techniques, Analytical / Q000379:methods*; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D005472:Fluorouracil / Q000737:chemistry*; D007700:Kinetics; D016018:Least-Squares Analysis; D013058:Mass Spectrometry / Q000379:methods; D015999:Multivariate Analysis; D010782:Photolysis; D013056:Spectrophotometry, Ultraviolet / Q000379:methods
chemical_list: D005472:Fluorouracil
keywords: 5-Fluorouracil; LC-DAD; LC-HRMS; MCR-ALS; Photodegradation