Analytical strategy based on the combination of gas chromatography coupled to time-of-flight and hybrid quadrupole time-of-flight mass analyzers for non-target analysis in food packaging

Cherta, Laura; Portolés, Tania; Pitarch, Elena; Beltrán, J.; López, Francisco J.; Calatayud, C.; Company, B.; Hernández, Félix

doi:10.1016/j.foodchem.2015.04.141

Cited by 41 publications

(17 citation statements)

References 31 publications

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“…New technologies in exposure sciences are providing solutions for such collection. Nontargeted chemical analyses, for example, via gas (or liquid) chromatography with quantitative time‐of‐flight mass spectrometry, are identifying an increasingly large array of chemicals in various media: food packaging [Cherta et al, ], river water for pharmaceuticals [Martinez Bueno, Ulaszewska, Gomez, Hernando, & Fernandez‐Alba, ], and organics in breast milk [Baduel, Mueller, Tsai, & Gomez Ramos, ]. Wearable sensors are being deployed for a variety of applications, such as: detection of infant movements [Chen, Xue, Mei, Bambang Oetomo, & Chen, ; Zhu et al, ], physiologic measurements in aging populations or athletes [Patel, Chen, & Butte, ], electrolyte and metabolite monitoring in sweat, tears and saliva [Bandodkar & Wang, ] among others [Zheng et al, ].…”

Section: Future Directionsmentioning

confidence: 99%

Understanding environmental contributions to autism: Causal concepts and the state of science

2018

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This Keynote Lecture, delivered at the 2016 meeting of the International Society for Autism Research, discusses evidence from human epidemiologic studies of prenatal factors contributing to autism, such as pesticides, maternal nutrition and her health. There is no single cause for autism. Examples highlight the features of a high-quality epidemiology study, and what comprises a compelling case for causation. Emergent research directions hold promise for identifying potential interventions to reduce disabilities, enhance giftedness, and improve lives of those with ASD.

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Section: Future Directionsmentioning

confidence: 99%

Understanding environmental contributions to autism: Causal concepts and the state of science

2018

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“…GC-TOF MS or GC-QqTOF MS was primarily applied for studying human exposures to persistent organic chemicals (Hernández et al, 2009b, Kazda et al, 2004, Focant et al, 2004, Megson et al, 2015, Fan et al, 2014). Trends in the GC-HRMS applications were reviewed recently ((Hernández et al, 2011a, Hernández et al, 2012)), and applied to metabolites in human and rat urine (Mardal et al, 2016) and environmental chemicals in food (Portolés et al, 2014b, Nácher-Mestre et al, 2014), water (Nácher-Mestre et al, 2011, Portolés et al, 2014a) and packaging material (Onghena et al, 2015, Cherta et al, 2015). These GC-HRMS approaches can be applied for studying the volatiles and non-polar chemicals space of the human exposome with sensitivity and limits of detection in the range between higher pico-molar to lower micro-molar concentrations (Smolinska et al, 2014, Macherone, 2013).…”

Section: Applications Of Time-of-flight Mass Spectrometry For Studmentioning

confidence: 99%

Trends in the application of high-resolution mass spectrometry for human biomonitoring: An analytical primer to studying the environmental chemical space of the human exposome

Andra

Austin

Patel

et al. 2017

Environment International

130

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Global profiling of xenobiotics in human matrices in an untargeted mode is gaining attention for studying the environmental chemical space of the human exposome. Defined as the study of a comprehensive inclusion of environmental influences and associated biological responses, human exposome science is currently evolving out of the metabolomics science. In analogy to the latter, the development and applications of high resolution mass spectrometry (HRMS) has shown potential and promise to greatly expand our ability to capture the broad spectrum of environmental chemicals in exposome studies. HRMS can perform both untargeted and targeted analysis because of its capability of full- and/or tandem-mass spectrum acquisition at high mass accuracy with good sensitivity. The collected data from target, suspect and non-target screening can be used not only for the identification of environmental chemical contaminants in human matrices prospectively but also retrospectively. This review covers recent trends and advances in this field. We focus on advances and applications of HRMS in human biomonitoring studies, and data acquisition and mining. The acquired insights provide stepping stones to improve understanding of the human exposome by applying HRMS, and the challenges and prospects for future research.

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“…. Furthermore, few non‐targeted studies have been published on possible contaminants migrating from FCMs …”

Section: Introductionmentioning

confidence: 99%

Identification of substances migrating from plastic baby bottles using a combination of low‐resolution and high‐resolution mass spectrometric analysers coupled to gas and liquid chromatography

et al. 2015

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This work presents a strategy for elucidation of unknown migrants from plastic food contact materials (baby bottles) using a combination of analytical techniques in an untargeted approach. First, gas chromatography (GC) coupled to mass spectrometry (MS) in electron ionisation mode was used to identify migrants through spectral library matching. When no acceptable match was obtained, a second analysis by GC‐(electron ionisation) high resolution mass spectrometry time of flight (TOF) was applied to obtain accurate mass fragmentation spectra and isotopic patterns. Databases were then searched to find a possible elemental composition for the unknown compounds. Finally, a GC hybrid quadrupole‐TOF‐MS with an atmospheric pressure chemical ionisation source was used to obtain the molecular ion or the protonated molecule. Accurate mass data also provided additional information on the fragmentation behaviour as two acquisition functions with different collision energies were available (MSE approach). In the low‐energy function, limited fragmentation took place, whereas for the high‐energy function, fragmentation was enhanced. For less volatile unknowns, ultra‐high pressure liquid chromatography‐quadrupole‐TOF‐MS was additionally applied. Using a home‐made database containing common migrating compounds and plastic additives, tentative identification was made for several positive findings based on accurate mass of the (de)protonated molecule, product ion fragments and characteristic isotopic ions. Six illustrative examples are shown to demonstrate the modus operandi and the difficulties encountered during identification. The combination of these techniques was proven to be a powerful tool for the elucidation of unknown migrating compounds from plastic baby bottles. Copyright © 2015 John Wiley & Sons, Ltd.

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Analytical strategy based on the combination of gas chromatography coupled to time-of-flight and hybrid quadrupole time-of-flight mass analyzers for non-target analysis in food packaging

Abstract: 10The potential of an advanced analytical strategy based on the use of gas 11 chromatography (GC) coupled to high resolution mass spectrometry (HRMS) with two 12 different analyzers and ionization sources has been investigated and applied to the non-

Cited by 41 publications

References 31 publications

Understanding environmental contributions to autism: Causal concepts and the state of science

Understanding environmental contributions to autism: Causal concepts and the state of science

Trends in the application of high-resolution mass spectrometry for human biomonitoring: An analytical primer to studying the environmental chemical space of the human exposome

Identification of substances migrating from plastic baby bottles using a combination of low‐resolution and high‐resolution mass spectrometric analysers coupled to gas and liquid chromatography

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