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Kumar P.,University of Barcelona | Rubies A.,Laboratori Agencia Salut Publica Of Barcelona | Rubies A.,CIBER ISCIII | Centrich F.,Laboratori Agencia Salut Publica Of Barcelona | And 5 more authors.
Analytica Chimica Acta | Year: 2013

Sensitive and unequivocal determination of analytes/contaminants in complex matrices is a challenge in the field of food safety control. In this study, various acquisition modes (Full MS/AIF, Full MS+tMS/MS, Full MS/dd MS/MS and tSIM/ddMS/MS) and parameters of a quadrupole-orbitrap hybrid mass spectrometer (Q Exactive) were studied in detail. One of the main conclusions has been that, reducing the scan range for Full MS (using the quadrupole) and targeted modes give higher signal-to-noise (S/N) ratios and thereby better detection limits for analytes in matrix. The use of Q Exactive in a complex case, for the confirmatory analysis of hormones in animal urine is presented. A targeted SIM data dependent MS/MS (tSIM/ddMS/MS) acquisition method for determination of eight synthetic hormones (trenbolone, 17α ethinylestradiol, zeranol, stanozolol, dienestrol, diethylstilbestrol, hexestrol, taleranol) and a naturally occurring hormone (zearalenone) in animal urine were optimized to have sensitive precursors from targeted SIM mode and trigger MS/MS scans over the entire chromatograph peak. The method was validated according to EC/657/2002. CCα (decision limit) for the analytes ranged between 0.11μgL-1 and 0.69μgL-1 and CCβ (detection capability) ranged between 0.29μgL-1 and 0.90μgL-1. © 2013 Elsevier B.V. Source


Flores C.,Mass Spectrometry Laboratory Organic Pollutants | Ventura F.,IDAEA | Martin-Alonso J.,AGBAR Aigues de Barcelona | Caixach J.,Mass Spectrometry Laboratory Organic Pollutants
Science of the Total Environment | Year: 2013

Perfluorooctane sulfonate (PFOS) and perfluorooctanoate (PFOA) are two emerging contaminants that have been detected in all environmental compartments. However, while most of the studies in the literature deal with their presence or removal in wastewater treatment, few of them are devoted to their detection in treated drinking water and fate during drinking water treatment. In this study, analyses of PFOS and PFOA have been carried out in river water samples and in the different stages of a drinking water treatment plant (DWTP) which has recently improved its conventional treatment process by adding ultrafiltration and reverse osmosis in a parallel treatment line. Conventional and advanced treatments have been studied in several pilot plants and in the DWTP, which offers the opportunity to compare both treatments operating simultaneously. From the results obtained, neither preoxidation, sand filtration, nor ozonation, removed both perfluorinated compounds. As advanced treatments, reverse osmosis has proved more effective than reverse electrodialysis to remove PFOA and PFOS in the different configurations of pilot plants assayed. Granular activated carbon with an average elimination efficiency of 64. ±. 11% and 45. ±. 19% for PFOS and PFOA, respectively and especially reverse osmosis, which was able to remove ≥. 99% of both compounds, were the sole effective treatment steps. Trace levels of PFOS (3.0-21. ng/L) and PFOA (<. 4.2-5.5. ng/L) detected in treated drinking water were significantly lowered in comparison to those measured in precedent years. These concentrations represent overall removal efficiencies of 89. ±. 22% for PFOA and 86. ±. 7% for PFOS. © 2013 Elsevier B.V. Source


Gomez-Canela C.,IDAEA | Ventura F.,IDAEA | Caixach J.,Mass Spectrometry Laboratory Organic Pollutants | Lacorte S.,IDAEA
Analytical and Bioanalytical Chemistry | Year: 2014

The occurrence of 26 commonly used cytostatic compounds in wastewaters was evaluated using an automated solid-phase extraction (SPE) method with liquid chromatography-high-resolution mass spectrometry (LC-HRMS). Detection was optimized using Oasis HLB SPE cartridges at pH 2. Two hospital effluents and their two receiving wastewater treatment plants were sampled over five days. In hospital effluents, eight cytostatics were detected at levels up to 86.2 μg L-1 for ifosfamide, 4.72 μg L-1 for cyclophosphamide, and 0.73 μg L-1 for irinotecan, the three most relevant compounds identified. Cyclophosphamide and megestrol acetate were found in wastewaters at concentrations up to 0.22 μg L-1 for the latter. The predicted environmental concentrations (PEC) in sewage effluents of ifosfamide (2.4-4.3 ng L-1), capecitabine (11.5-14.2 ng L-1), and irinotecan (0.4-0.6 ng L-1), calculated from consumption data in each hospital, published excretion values for the target compounds, and wastewater elimination rates, were in agreement with experimental values. © 2014 Springer-Verlag Berlin Heidelberg. Source


Gomez-Canela C.,IDAEA | Cortes-Francisco N.,Mass Spectrometry Laboratory Organic Pollutants | Ventura F.,IDAEA | Caixach J.,Mass Spectrometry Laboratory Organic Pollutants | Lacorte S.,IDAEA
Journal of Chromatography A | Year: 2013

Cytostatic compounds used in the treatment of cancer have emerged as a new generation of water contaminants due to the continuous amounts administered to patients and to the fact that a variable proportion is excreted unchanged. In this study, we have evaluated the performance of liquid-chromatography-tandem mass spectrometry (LC-MS/MS) and high resolution mass spectrometry using an Orbitrap analyzer (LC-HRMS) for the multiresidue determination of multi-class cytostatic compounds. In a first step, ionization conditions were tested in positive electrospray mode and optimum fragmentation patterns were determined. For LC-MS/MS, two selected reaction monitoring (SRM) transitions were optimized and for LC-HRMS, the molecular ion with 5. ppm error and two product ions were defined. Following, the chromatographic conditions were optimized considering that compounds analyzed have a very different chemical structure and chromatographic behavior. The best performance was obtained with a Luna C18 column, which permitted the separation of the 26 compounds in 15. min. Finally, the performance of LC-MS/MS and LC-HRMS was compared in terms of linearity, sensitivity, intra and inter-day precision and overall robustness. While LC-MS/MS provided good identification capabilities due to selective SRM transitions, LC-Orbitrap proved to be 100 times more sensitive. This study provides a comprehensive overview on the MS conditions to determine the outmost used cytostatic compounds and provides a spectral library to be used for the identification of these compounds in water or biological matrices. © 2012 Elsevier B.V. Source

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