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oai:riubu.ubu.es:10259/42572021-11-10T09:38:26Zcom_10259_4249com_10259_5086com_10259_2604col_10259_4250

00925njm 22002777a 4500 dc Herrero Gutiérrez, Ana author Reguera Alonso, Celia author Ortiz Fernández, Mª Cruz author Sarabia Peinador, Luis Antonio author 2014-04 The optimization of a GC–MS analytical procedure which includes derivatization, Quick Easy Cheap Effective Rugged and Safe (QuEChERS) and programmed temperature vaporization (PTV) using design of experiments is performed to determine 2,6-dichlorobenzonitrile (dichlobenil) and 2,6-dichlorobenzamide (BAM) in onions, using 3,5-dichlorobenzonitrile and 2,4-dichlorobenzamide as internal standards. The use of a central composite design and two D-optimal designs, together with the desirability function, makes it possible to significantly reduce the economic, time and environmental cost of the study. The usefulness of PARAFAC2 for solving problems as the interference of unexpected derivatization artifacts unavoidably linked to some derivatization agents, or the presence of coeluents from the complex matrix, which share m/z ratios with the target compounds, is shown. The limits of decision (CCα) of the optimized procedure, 5.00 μg kg− 1 for dichlobenil and 1.55 μg kg− 1 for BAM (α = 0.05), are below the maximum residue limit (MRL) established by the EU for dichlobenil (20 μg kg− 1) in this commodity. 0169-7439 http://hdl.handle.net/10259/4257 10.1016/j.chemolab.2013.12.001 PTV–GC–MS D-optimal design Parallel factor analysis Desirability function Dichlobenil SANCO/12495/2001 Determination of dichlobenil and its major metabolite (BAM) in onions by PTV–GC–MS using PARAFAC2 and experimental design methodology