Solving matrix effects exploiting the second-order advantage in the resolution and determination of eight tetracycline antibiotics in effluent wastewater by modelling liquid chromatography data with multivariate curve resolution-alternating least squares and unfolded-partial least squares followed by residual bilinearization algorithms

García, Miguel de Cara; Culzoni, María J.; Zan, María Mercedes de; Valverde, Rosario Santiago; Galera, M. Martı́nez; Goicoechea, Héctor C.

doi:10.1016/j.chroma.2007.11.049

Cited by 29 publications

(19 citation statements)

References 51 publications

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“…A baseline correction pretreatment was applied allowing to correct the effect of breakthrough and to reduce the total interferences retained after preconcentration of wastewaters. The results showed that the eight tetracycline antibiotics can be successfully determined in wastewaters, the drawbacks due to matrix interferences being adequately handled and overcome by using U-PSL/RBL [25]. Figure 8 provides evidence for the complexity of the analytical problem at hand, i.e., eight compounds which could be successfully separated, immersed in such a complex matrix containing unexpected compounds which interfere in the analysis.…”

Section: Examplementioning

confidence: 95%

Unfolded and Multiway Partial Least-Squares with Residual Multilinearization

Olivieri

Escandar

Goicoechea

et al. 2015

Data Handling in Science and Technology

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Section: Examplementioning

confidence: 95%

Unfolded and Multiway Partial Least-Squares with Residual Multilinearization

Olivieri

Escandar

Goicoechea

et al. 2015

Data Handling in Science and Technology

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“…Firstly, eight tetracycline antibiotics were determined in effluent wastewater, solving matrix effects and exploiting the second-order advantage [59,60]. Afterward, the determination of anti-inflammatory and antiepileptic drugs in river and wastewater by solid-phase microextraction and liquid chromatography diode-array detection with MCR-ALS was presented [61].…”

Section: Uv Spectroscopy With Diode-array Detectionmentioning

confidence: 99%

“…The most widely used methodology for standardization is piecewise direct standardization (PDS) [78], which consist of relating the response of a sample measured in a "situation A" to its response obtained in a "situation B". This relationship is described by the transformation matrix Ft, according to All these approaches have been successfully applied to univariate data, but recently, a number of papers have been published, which report the application of some of the above-mentioned methodologies in combination with second-order multivariate algorithms, with satisfactory results [8,59,60,64].…”

Section: Variations In the Analytical Responsementioning

confidence: 99%

“…The latter case was observed with different extraction techniques such as solid-phase extraction (SPE) [59,60,64] and solid-phase microextraction (SPME) [61]. These sample treatments are necessary to increase sensitivity of the analytical methods when analytes are present at ultratrace levels in the samples being analyzed.…”

Section: Standardizationmentioning

confidence: 99%

“…PDS was applied to correct the breakthrough effect observed for the most polar analytes after the SPE step in a method developed for the determination of eight tetracyclines in effluent wastewater samples by solid-phase extraction (SPE) and LC-DAD using MCR-ALS [60] and U-PLS/RBL [61] algorithms. The five first eluting compounds were partially lost during the pre-concentration step and this drawback was overcome by transferring sample signals obtained from standards prepared in pure solvent to signals after SPE and then, unknown samples were predicted with models built with the former.…”

Section: Standardizationmentioning

confidence: 99%

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Chemometric strategies for enhancing the chromatographic methodologies with second-order data analysis of compounds when peaks are overlapped

Goicoechea

Culzoni

García

et al. 2011

Talanta

Self Cite

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This overview covers the different chemometric strategies linked to chromatographic methodologies that have been used and presented in the recent literature to cope with problems related to incomplete separation, the presence of unexpected components in the sample, matrix effect and changes in the analytical signal due to pre-treatment of sample.Among the different chemometric strategies it focuses on pre-treatment of data to correct background and time shift of chromatographic peaks and the use of second-order algorithms to cope with overlapping peaks from analytes or from analytes and interferences in liquid chromatography coupled to diode array, fast-scanning fluorescence spectroscopy and mass spectrometry detectors.Finally the review presents the strategies used to deal with changes in the analytical response as result of matrix effect in liquid and gas chromatography, as well as the use of standardization strategies to correct modifications in the analytical signal as a consequence of sample pre-treatment in liquid chromatography.

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Determination of marker pteridines in urine by HPLC with fluorimetric detection and second-order multivariate calibration using MCR-ALS

et al. 2010

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A liquid chromatographic method has been developed, in combination with the multivariate curve resolution-alternating least squares algorithm (MCR-ALS), for the simultaneous determination of marker pteridines in urine samples. A central composite design has been applied to optimize the factors influencing the separation (buffer concentration, buffer pH, flow rate, oven temperature, mobile-phase composition). A set of 15 calibration samples were randomly prepared, in a concentration range of 0.5-10.5 ng mL(-1) for neopterin, biopterin, and pterin; 4.0-8.0 ng mL(-1) for xanthopterin; and 0.5-4.5 ng mL(-1) for isoxanthopterin. The validation was carried out with fortified urine samples from healthy adults. The optimized conditions were a mobile-phase composition of 10 mM citric buffer at pH 5.44 and acetonitrile (94.5/5.5, v/v), a flow rate of 1.0 mL min(-1), and an oven temperature of 25 °C. The detection system consisted of a fast-scanning spectrofluorimeter, which allows obtaining of second-order data matrices containing the fluorescence intensity as a function of retention time and emission wavelength. In this work, MCR-ALS was used to cope with coeluting interferences, on account of the second-order advantage inherent to this algorithm which, in addition, is able to handle data sets deviating from trilinearity, like the high-performance liquid chromatography data analyzed in the present report. The developed approach enabled us to determine five pteridines, some of them with overlapped profiles, reducing the experimental time and reagent consumption. Ratio values for pteridines/creatinine in urine, for infected children with different pathologies, are reported in this work.

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Cited by 29 publications

References 51 publications

Unfolded and Multiway Partial Least-Squares with Residual Multilinearization

Unfolded and Multiway Partial Least-Squares with Residual Multilinearization

Chemometric strategies for enhancing the chromatographic methodologies with second-order data analysis of compounds when peaks are overlapped

Determination of marker pteridines in urine by HPLC with fluorimetric detection and second-order multivariate calibration using MCR-ALS

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