Aqueous naphthenic acids and polycyclic aromatic hydrocarbons in a meso-scale spill tank affected by diluted bitumen analyzed directly by membrane introduction mass spectrometry

Monaghan, J. J.; Xin, Qin; Aplin, Rebekah; Jaeger, Angelina; Heshka, Nicole E.; Hounjet, Lindsay J.; Gill, Chris G.; Krogh, Erik

doi:10.1016/j.jhazmat.2022.129798

Cited by 15 publications

(15 citation statements)

References 42 publications

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“…A recent study examined NAs affected by diluted bitumen (DB) in a spill tank using high-resolution negative-ion ESI Orbitrap-MS. The researchers observed a decrease in the relative abundance of O 2 species and a corresponding increase in the relative abundance of O 3 species over time . The carbon number and DBE distribution for the O 2 species can provide further evidence of biodegradation.…”

Section: Resultsmentioning

confidence: 93%

“…Sample extracts were diluted where necessary to bring sample extract concentrations into the linear detection range of the method. The method is considered semiquantitative; a lack of reference standards similarly limits other quantification methods. − An oil sand process-affected water-derived extract was used to calibrate the MS response to NAFCs (e.g., polar acidic organic compounds). − …”

Section: Methodsmentioning

confidence: 99%

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Evaluations of Weathering of Polar and Nonpolar Petroleum Components in a Simulated Freshwater–Oil Spill by Orbitrap and Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Ajaero,

Vander Meulen,

Heshka

et al. 2024

Energy Fuels

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The comprehensive chemical characterization of crude oil is important for the evaluation of the transformation and fate of components in the environment. Molecular-level speciation of naphthenic acid fraction compounds (NAFCs) was investigated in a mesoscale spill tank using both negative-ion electrospray ionization (ESI) Orbitrap mass spectrometry (MS) and positive-ion atmospheric pressure photoionization Fourier transform ion cyclotron resonance mass spectrometry (APPI-FT-ICR-MS). Both ionization techniques are coupled to high-resolution mass spectrometric detectors (ESI: Orbitrap MS; APPI: FT-ICR-MS at 9.4 T), enabling insight into the behavior and fate of petrogenic compounds during a simulated freshwater crude oil spill. Negative-ion ESI Orbitrap-MS reveals that oxygen-containing (O x ) classes are detected early in the spill, whereby species with more oxygen per molecule evolve later in the simulated spill. The O 2 -containing species gradually decreased in relative abundance, while O 3 and O 4 species increased in relative abundance throughout the simulated spill, which could correspond to a relative degree of oxygen incorporation. Nonpolar speciation by positive-ion APPI 9.4 T FT-ICR-MS allowed for the identification of water-soluble nonpolar and less polar acidic species. Molecular-level graphical representation of elemental compositions derived from simulated spill water-soluble and oil-soluble species suggest that biological activity is the primary degradation mechanism and that biodegradation was the dominant mechanism based on the negative-ion ESI Orbitrap-MS results.

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Section: Resultsmentioning

confidence: 93%

Section: Methodsmentioning

confidence: 99%

Evaluations of Weathering of Polar and Nonpolar Petroleum Components in a Simulated Freshwater–Oil Spill by Orbitrap and Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Ajaero,

Vander Meulen,

Heshka

et al. 2024

Energy Fuels

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“…The acceptor phase composition, ion source, and MS parameters can be optimized for a specific analyte class. This approach has been implemented for polycyclic aromatic hydrocarbons, − phthalates, UV filters, and naphthenic acids. ,, CP-MIMS provides continuous, real-time data allowing dynamic processes such as organic synthesis or sorption/desorption phenomena to be studied directly. We have previously reported a preliminary CP-MIMS method using tandem MS for analysis of 6-PPDQ exhibiting environmentally relevant detection limits (8 ng/L) and a short analytical duty cycle (2.5 min/sample) …”

Section: Introductionmentioning

confidence: 99%

Automated, High-Throughput Analysis of Tire-Derived p-Phenylenediamine Quinones (PPDQs) in Water by Online Membrane Sampling Coupled to MS/MS

Monaghan,

Jaeger,

Jai

et al. 2023

ACS EST Water

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The tire-derived contaminant N-(1,3-dimethylbutyl)-N′-phenyl-p-phenylenediamine quinone (6-PPDQ) was recently identified as a potent toxin to coho salmon (Oncorhynchus kisutch). Studies investigating 6-PPDQ have employed solid-phase extraction (SPE) or liquid−liquid extraction (LLE) with liquid chromatography−mass spectrometry (LC-MS), providing excellent sensitivity and selectivity. However, cleanup and pre-enrichment steps (SPE/LLE) followed by chromatographic separation can be time-and cost-intensive, limiting sample throughput. The ubiquitous distribution of 6-PPDQ necessitates numerous measurements to identify hotspots for targeted mitigation. We recently developed condensed phase membrane introduction mass spectrometry (CP-MIMS) for rapid 6-PPDQ analysis (2.5 min/ sample), with a simple workflow and low limit of detection (8 ng/L). Here, we describe improved quantitation using isotopically labeled internal standards and inclusion of a suite of PPDQ analogues. A low-cost autosampler and data processing software were developed from a three-dimensional (3D) printer and Matlab to fully realize the high-throughput capabilities of CP-MIMS. Crossvalidation with a commercial LC-MS method for 10 surface waters provides excellent agreement (slope: 1.01; R 2 = 0.992). We employ this analytical approach to probe fundamental questions regarding sample stability and sorption of 6-PPDQ under labcontrolled conditions. Further, the results for 192 surface water samples provide the first spatiotemporal characterization of PPDQs on Vancouver Island and the lower mainland of British Columbia.

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“…Membrane‐facilitated eluate/eluent modifications have been employed for ion chromatography for decades, using electrodialysis cells to adjust pH for optimal separation as well as to reduce background for electrochemical detection 16,17 . In our group, we have been utilizing membrane introduction MS (MIMS) as an effective sampling technique for direct MS analysis of analytes in complex matrices 18–25 . The choice of membrane material can be tailored towards specific analyses.…”

Section: Introductionmentioning

confidence: 99%

“…16,17 In our group, we have been utilizing membrane introduction MS (MIMS) as an effective sampling technique for direct MS analysis of analytes in complex matrices. [18][19][20][21][22][23][24][25] The choice of membrane material can be tailored towards specific analyses. Semi-permeable polydimethylsiloxane (PDMS) membranes, for example, allow for the selective permeation of small, neutral analytes while rejecting larger molecules (such as proteins), ions, and particulate matter.…”

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confidence: 99%

A passive membrane system for on‐line mass spectrometry reagent addition

Zarkovic

Borden

Krogh

et al. 2023

Rapid Comm Mass Spectrometry

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Rationale: Post-separation addition of chemical modifiers in liquid chromatographymass spectrometry is widely used for improving ionization sensitivity and selectivity. This is typically accomplished using a post-column T-junction, which can result in sample dilution and imperfect mixing. We present a passive semi-permeable hollow fiber membrane approach for the addition of chemical modifiers that avoids these issues.Methods: Model compounds were directly infused by flow injection to an electrospray ionization triple quadrupole mass spectrometer after passing through a polydimethylsiloxane hollow fiber membrane. Ionization enhancement reagents were introduced into the flowing stream by membrane permeation from aqueous solutions. Ionization enhancement from volatile acids and bases in positive and negative electrospray ionization was evaluated to assess the feasibility of this approach.Results: The membrane-based apparatus resulted in relative ionization enhancement factors of up to 14Â, depending upon the analyte, reagent, and ionization mode used. Ionization enhancement signal stability is reasonable (relative standard deviation of 5-7%) for extended periods from the same reagent solution, and minimal analyte dilution is observed. A proof-of-concept demonstration of the chromatographic "trifluoroacetic acid fix" strategy is presented.Conclusions: An on-line mass spectrometry ionization reagent addition method with potential post-chromatography reagent addition applications was developed using a hollow fiber polydimethylsiloxane membrane. This approach offers a promising alternative to traditional methods requiring additional hardware such as pumps and T-junctions that can result in sample dilution and imperfect reagent mixing. | INTRODUCTIONThe post-separation infusion of derivatizing reagents and chemical modifiers in liquid chromatography-mass spectrometry (LC/MS) workflows has been widely used to enhance ionization without altering chromatographic performance. This is done because optimal separation solvent systems can be quite different from those needed for efficient ionization. 1,2 Reagents are frequently introduced to the LC eluent via a T-junction, infusing reagent via a second pumping system. Other post-column addition techniques (still utilizing secondary liquid handling pumps) include the use of reaction coils 3 and triaxial electrospray probes. 4 Although analyte ionization is

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Aqueous naphthenic acids and polycyclic aromatic hydrocarbons in a meso-scale spill tank affected by diluted bitumen analyzed directly by membrane introduction mass spectrometry

Cited by 15 publications

References 42 publications

Evaluations of Weathering of Polar and Nonpolar Petroleum Components in a Simulated Freshwater–Oil Spill by Orbitrap and Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Evaluations of Weathering of Polar and Nonpolar Petroleum Components in a Simulated Freshwater–Oil Spill by Orbitrap and Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Automated, High-Throughput Analysis of Tire-Derived p-Phenylenediamine Quinones (PPDQs) in Water by Online Membrane Sampling Coupled to MS/MS

A passive membrane system for on‐line mass spectrometry reagent addition

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