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oai:riubu.ubu.es:10259/43572022-04-29T12:02:48Zcom_10259_4249com_10259_5086com_10259_2604col_10259_4250

Herrero Gutiérrez, Ana 282 500 Sanllorente Méndez, Silvia 522 500 Reguera Alonso, Celia 469 500 Ortiz Fernández, Mª Cruz 406 500 Sarabia Peinador, Luis Antonio 534 500 2017-03-14T08:27:33Z 2018-11-01T03:45:05Z 2016-11 http://hdl.handle.net/10259/4357 A new strategy to approach multiresponse optimization in conjunction to a D-optimal design for simultaneously optimizing a large number of experimental factors is proposed. The procedure is applied to the determination of biogenic amines (histamine, putrescine, cadaverine, tyramine, tryptamine, 2- phenylethylamine, spermine and spermidine) in swordfish by HPLC-FLD after extraction with an acid and subsequent derivatization with dansyl chloride. Firstly, the extraction from a solid matrix and the derivatization of the extract are optimized. Ten experimental factors involved in both stages are studied, seven of them at two levels and the remaining at three levels; the use of a D-optimal design leads to optimize the ten experimental variables, significantly reducing by a factor of 67 the experimental effort needed but guaranteeing the quality of the estimates. A model with 19 coefficients, which includes those corresponding to the main effects and two possible interactions, is fitted to the peak area of each amine. Then, the validated models are used to predict the response (peak area) of the 3456 experiments of the complete factorial design. The variability among peak areas ranges from 13.5 for 2-phenylethylamine to 122.5 for spermine, which shows, to a certain extent, the high and different effect of the pretreatment on the responses. Then the percentiles are calculated from the peak areas of each amine. As the experimental conditions are in conflict, the optimal solution for the multiresponse optimization is chosen from among those which have all the responses greater than a certain percentile for all the amines. The developed procedure reaches decision limits down to 2.5 mg L 1 for cadaverine or 497 mg L 1 for histamine in solvent and 0.07 mg kg 1 and 14.81 mg kg 1 in fish (probability of false positive equal to 0.05), respectively. MINECO (CTQ2014-53157-R) and FEDER funds application/pdf eng Elsevier Analytica Chimica Acta. 2016, V. 945, p. 31–38 http://dx.doi.org/10.1016/j.aca.2016.10.001 Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess Multiresponse optimization D-optimal design Biogenic amines HPLC-FLD Derivatization Fish Chemistry Mathematics Química Matemáticas A new multiresponse optimization approach in combination with a D-Optimal experimental design for the determination of biogenic amines in fish by HPLC-FLD info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion CC-LICENSE license_rdf license_rdf application/rdf+xml; charset=utf-8 805 https://riubu.ubu.es/bitstream/10259/4357/8/license_rdf 4460e5956bc1d1639be9ae6146a50347 MD5 8 THUMBNAIL Herrero-ACA_2016.pdf.jpg Herrero-ACA_2016.pdf.jpg IM Thumbnail image/jpeg 4405 https://riubu.ubu.es/bitstream/10259/4357/7/Herrero-ACA_2016.pdf.jpg 4d3800f31099aa1f7a6b0b6d90f14d94 MD5 7 ORIGINAL Herrero-ACA_2016.pdf Herrero-ACA_2016.pdf application/pdf 796957 https://riubu.ubu.es/bitstream/10259/4357/1/Herrero-ACA_2016.pdf 6431c819c7163d1f755a308909afbf3b MD5 1 LICENSE license.txt license.txt text/plain; charset=utf-8 998 https://riubu.ubu.es/bitstream/10259/4357/5/license.txt aa90105e1c90a1b4fe810649aa967b7d MD5 5 TEXT Herrero-ACA_2016.pdf.txt Herrero-ACA_2016.pdf.txt Extracted text text/plain 44247 https://riubu.ubu.es/bitstream/10259/4357/6/Herrero-ACA_2016.pdf.txt 560d66a1207bb317da871018855d973f MD5 6 10259/4357 oai:riubu.ubu.es:10259/4357 2022-04-29 14:02:48.64 Repositorio Institucional de la Universidad de Burgos bubrep@ubu.es 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