Partial least squares model inversion in the chromatographic determination of triazines in water

Inside the framework of Analytical Quality by Design, a model-based approach has been developed and used to identify operating conditions (control method parameters) related composition flow rate mobile phase for liquid chromatographic determination with preset quality characteristics. The starts defining these desired characteristics intended chromatogram (proper resolution consecutive peaks short time analysis) then looking needed control parameters via inversion Partial Least Squares (PLS) prediction model. procedure applied eight triazines (simazine, simetryn, atrazine, ametryn, propazine, terbuthylazine, prometryn terbutryn) in surface waters means SPE-HPLC-DAD. These either are forbidden or have maximum allowable limit due their potential toxicity. experimental verification selected showed that results were significantly equal those predicted. Besides, validation allowed concluding accuracy was fulfilled there not bias. With probability false positive 0.05, CCβ less than 3 µg L−1 every triazine, except simazine terbutryn, which 6 being negative 10-6. No triazine found, above concentration, any samples water picked at fifteen different locations, mostly from streams Arlanzón river, near Burgos (Spain).