Automated dynamic headspace followed by a comprehensive two-dimensional gas chromatography full scan time-of-flight mass spectrometry method for screening of volatile organic compounds (VOCs) in water

López, Sonia Herrera; Gómez, María José; Hernando, M.D.; Fernández‐Alba, Amadeo R.

doi:10.1039/c2ay26234g

Cited by 18 publications

(5 citation statements)

References 47 publications

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“…The estimated limits of detection (LOD) and quantification (LOQ) are shown in Supplementary Table 8. Our sampleamount normalized limits of detection were slightly higher than those reported for the analysis of environmental pollutants in natural water 25 . The usual dynamic range of our method was 2 -8000 pg of reference standard chemicals in 1 μL of sweat (e.g., methyl salicylate -Supplementary Figure 3).…”

Section: Dynamic Headspace Extractioncontrasting

confidence: 62%

Biological studies with comprehensive GCxGC-HRMS screening: Exploring the human sweat volatilome

Ripszam

Bruderer

Biagini

et al. 2022

Preprint

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A key issue in GCxGC-HRMS data analysis is how to approach large-sample studies in an efficient and comprehensive way. We have developed a semi-automated data-driven workflow from identification to suspect screening, which allows highly selective monitoring of each identified chemical in a large-sample dataset. The example dataset used to illustrate the potential of the approach consisted of human sweat samples from 40 participants, including field blanks (80 samples). These samples have been collected in a Horizon 2020 project to investigate the capacity of body odour to communicate emotion and influence social behaviour. We used dynamic headspace extraction, which allows comprehensive extraction with high preconcentration capability, and has to date only been used for a few biological applications. We found 325 sweat volatiles compared to 581 known skin volatiles, 107 of which matched perfectly with the literature, and 218 compounds (67%) novel sweat volatiles. Unlike partitioning-based extraction methods, the developed method detects semi-polar (log P < 2) nitrogen and oxygen-containing compounds. However, it is unable to detect certain acids due to the pH conditions of unmodified sweat samples. Using a single analytical method, our coverage of the boiling point and polarity space was comparable to the cumulative coverage of all the available 35 studies investigating skin volatiles with different analytical methods. We believe that our framework will open up the possibility of efficiently using GCxGC-HRMS for large-sample studies in a wide range of applications such as biological and environmental studies.

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Section: Dynamic Headspace Extractioncontrasting

confidence: 62%

Biological studies with comprehensive GCxGC-HRMS screening: Exploring the human sweat volatilome

Ripszam

Bruderer

Biagini

et al. 2022

Preprint

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“…The quantity and complexity of GC × GC-TOFMS data generated in complex tailings matrices can be processed and effectively viewed in a visual multidimensional fashion . The results of chromatographic analysis clearly showed the advantages of GC × GC-TOFMS analysis (Figure ).…”

Section: Resultsmentioning

confidence: 97%

Characterization of Mining-Related Aromatic Contaminants in Active and Abandoned Metal(loid) Tailings Ponds

Zhang

Wang

Hudson‐Edwards

et al. 2020

Environ. Sci. Technol.

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This study reports on the compositional diversity of organic compounds in metal(loid)-bearing tailings samples from both active and abandoned tailings ponds. Tailings samples were qualitatively analyzed by comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC × GC-TOFMS). In addition, the priority PAHs ( 16), PAEs (6), and phenols (2) were quantitatively analyzed using gas chromatography−mass spectrometry (GC-MS). We attribute the presence of some of aromatic organics in studied tailings ponds to particular sources. Mineral floatation reagents are likely the major sources of small-ring aromatics in tailings ponds, and products from metallurgical processing and burning of fossil fuels in the mining area or further afield are also possible contributors and might be the main source of large-ring aromatics. We found that tailings ponds abandoned for decades can still have organics concentrations at levels of concern. Large-ring aromatics are generally more toxic than other contaminants, and these were more abundant in abandoned tailings ponds. This suggests that these large-ring organics do not readily decompose or biodegrade into less toxic byproducts, as do volatiles and many other organic compounds. Our aromatic contaminants database provides an important starting point for researchers to investigate and compare similar contaminants that might be also present in other tailings ponds and emphasizes the necessity of considering their transformations over time.

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“…VOCs are in part carcinogenic, mutagenic, and toxic, and may damage the health of humans and the marine ecosystem [3]. The widespread use of VOCs in the manufacturing and handling of paints, solvents, adhesives, fuels, pharmaceuticals, deodorants, fumigants, and refrigerants or leaking underground pipelines, solvent storage vessels, landfill, and manufacturing effluents has led to releases into the environment [4,5,6]. More than half of the total number of identified substances originating from sea-based sources results from offshore gas/oil activities (39%) and shipping (32%) [1].…”

Section: Introductionmentioning

confidence: 99%

Toward the Required Detection Limits for Volatile Organic Constituents in Marine Environments with Infrared Evanescent Field Chemical Sensors

Dettenrieder

Raichlin

Katzir

et al. 2019

Sensors

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A portable sensor system for the simultaneous detection of multiple environmentally relevant volatile organic compounds (VOCs) in real seawater based on Fourier transform infrared fiber-optic evanescent wave spectroscopy (FT-IR-FEWS) was developed. A cylindrical silver halide (AgX) fiber with an ethylene/propylene copolymer (E/P-co) coated flattened segment was used as an active optical transducer. The polymer membrane enriches the hydrophobic analytes, while water is effectively excluded from the penetration depth of the evanescent field. Determination of multicomponent mixtures (i.e., 10 VOCs in real-world seawater samples) collected in Arcachon Bay, France revealed a high accuracy and reproducibility with detection limits down to 560 ppb. The measurement showed no significant influence from changing water conditions (e.g., salinity, turbidity, and temperature or other interfering substances). The time constants for 90% saturation of the polymer ranged from 20 to 60 min. The sensor system is capable of being transported for on-site monitoring of environmental pollutants in aqueous matrices with efficient long-term stability, thus showing great potential to be utilized as an early warning system.

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Automated dynamic headspace followed by a comprehensive two-dimensional gas chromatography full scan time-of-flight mass spectrometry method for screening of volatile organic compounds (VOCs) in water

Cited by 18 publications

References 47 publications

Biological studies with comprehensive GCxGC-HRMS screening: Exploring the human sweat volatilome

Biological studies with comprehensive GCxGC-HRMS screening: Exploring the human sweat volatilome

Characterization of Mining-Related Aromatic Contaminants in Active and Abandoned Metal(loid) Tailings Ponds

Toward the Required Detection Limits for Volatile Organic Constituents in Marine Environments with Infrared Evanescent Field Chemical Sensors

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