Celia Reguera

Universidad de Burgos | UBU · Department of Chemistry

A new multi-factor multi-objective strategy to approach the joint assessment of the effect of six experimental factors in the determination by head space-solid phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) of eight different additives commonly used in the plastic packaging manufacturing is proposed in this work. Five HS...

This paper reports on the difficulties encountered when developing an analytical method for ultra-trace determination, in a complex matrix, of plastic additive residues which are ubiquitous in the laboratory. The simultaneous qualitative and quantitative determination of an antioxidant (2,6-di-tert-butyl-4-methyl-phenol, BHT), an UV stabilizer (ben...

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 to the composition and flow rate of the mobile phase for a liquid chromatographic determination with preset quality characteristics. The approach starts by defining these desir...

The growing demand for controls of foodstuffs, personal care products, medicines and the environment is unquestionable, as well as a better understanding of the toxicity of chemical products. This causes a growing need to propose methods of analysis for the unequivocal identification and quantification of analytes in complex samples. Several offici...

The maintenance of the cold chain is essential to ensure foodstuff conformity and safety. However, gaps in the cold chain may be expected so designing analytical methods capable to detect cold chain breaks is a worthwhile issue. In this paper, the possibility of using the amount of nine biogenic amines (BAs)determined in Thunnus albacares by HPLC-F...

The impact that the presence of nanoparticles in food can have on the migration from food contact materials (FCMs) of substances, which occurrence in foodstuffs is regulated, is posed in this paper through a case-study. Migration of bisphenol A (BPA) from polycarbonate glasses into aqueous food simulant B (3% acetic acid, w/v) and simulant D1 (50%...

A new multiway/multivariate approach is proposed to study and model the spoilage of swordfish with time and temperature of storage through the profiles of putrescine, spermidine, histamine, tyramine, tryptamine, cadaverine, spermine, and 2-phenylethylamine. The evolution of these biogenic amines in food is a complex process that cannot be character...

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 swordf...

Numerous research activities generate data that are organized as a three-way tensor, which can be described with PARAFAC. This chapter starts by briefly describing the PARAFAC model and the properties that support its practical utility. Besides, two alternative models are presented, PARAFAC2 and Tucker3, which are useful when the data are inconsist...

An 'ad-hoc' experimental design to handle the robustness study for the simultaneous determination of dichlobenil and its main metabolite (2,6-dichlorobenzamide) in onions by programmed temperature vaporization-gas chromatography-mass spectrometry (PTV-GC-MS) is performed. Eighteen experimental factors were considered; 7 related with the extraction...

This work presents a methodology to analyse the behaviour of an analytical procedure, above all when optimization of the procedure is needed. The methodology starts by the design of an experiment suitable to fit response surfaces to some analytical responses of interest in the problem being studied. Then, a pareto-optimal front is estimated that ac...

A sensitive and cheap FIA, with amperometric detection, analytical procedure is developed in this paper to determine sulfadiazine, sulfamethazine and sulfamerazine in milk. A multicriteria optimization based on the use of a desirability function is used for optimizing two analytical responses (peak height and its variability) since single-objective...

A set of laboratory practices is proposed in which evaluation of the quality of the analytical measurements is incorporated explicitly by applying systematically suitable methodology for extracting the useful information contained in chemical data. Non-parametric and robust techniques useful for detecting outliers have been used to evaluate differe...

Multicriteria optimization, widely used in engineering, does not much used in the optimization of analytical signals. The aim of this paper is to show the usefulness of the desirability function to optimize instrumental responses obtained in instrumental analysis. The simultaneous optimization of a signal and of its variability is a generic questio...

An application of a partial least squares calibration method for the simultaneous voltammetric determination of indomethacin, acemethacin, piroxicam and tenoxicam is suggested. It was shown that it is possible to resolve complex mixtures of analytes even when they have strongly overlapped signals. In order to check the proposed method, statistical...

Indomethacin, acemethacin, piroxicam and tenoxicam are four well-known nonsteroid anti-inflammatory drugs. The simultaneous determination of these drugs in quarternary mixtures has been carried out by spectrophotometric methods for their quantitative analysis without a separation step. Due to the similar structure of these drugs their absorption sp...

Chemometrics has become one of the most wide-spread and important tools in the teaching of Analytical Chemistry over the last years. Chemometrics is useful for analysing large amounts of data and for making reasonable decisions in cases of uncertainty. This tool should be used in close conjunction with chemical knowledge of the task being studied....

Procedures for the determination of indomethacin and acemethacin by differential pulse adsorptive stripping voltammetry with a mercury electrode have been described and optimised. The selection and optimization of the experimental parameters was done using factorial and central composite designs. Indomethacin and acemethacin in urine were determine...