Current trends in environmental analysis of human metabolite conjugates of pharmaceuticals

Brown, Alistair K.; Wong, Charles S.

doi:10.1016/j.teac.2015.01.002

Cited by 14 publications

(7 citation statements)

References 67 publications

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“…Accordingly, o-DGT could serve as an ideal screening tool for emerging trace-level contaminants, for which chemical standards may not be commercially available and thus lack calibrated sampling rate data with other polar PSDs (e.g., POCIS or Chemcatcher). Modeled D – R s for o-DGT could provide semiquantitative concentration data for contaminants such as pharmaceutical metabolites or new chemicals in commerce (e.g., emerging industrial chemicals) − where detection by traditional grab sampling is insufficient or inconvenient.…”

Section: Resultsmentioning

confidence: 99%

Development and Calibration of an Organic-Diffusive Gradients in Thin Films Aquatic Passive Sampler for a Diverse Suite of Polar Organic Contaminants

2016

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A unique configuration of the diffusive gradients in thin films sampler for polar organics (o-DGT) without a poly(ether sulfone) membrane was developed, calibrated, and field-evaluated. Diffusion coefficients (D) through agarose diffusive gels ranged from (1.02 to 4.74) × 10 cm/s for 34 pharmaceuticals and pesticides at 5, 13, and 23 °C. Analyte-specific diffusion-temperature plots produced linear (r > 0.85) empirical relationships whereby D could be estimated at any environmentally relevant temperature (i.e., matched to in situ water conditions). Linear uptake for all analytes was observed in a static renewal calibration experiment over 25 days except for three macrolide antibiotics, which reached saturation at 300 ng (≈15 d). Experimental sampling rates ranged from 8.8 to 16.1 mL/d and were successfully estimated with measured and modeled D within 19% and 30% average relative error, respectively. Under slow flowing (2.4 cm/s) and static conditions, the in situ diffusive boundary layer (DBL) thickness ranged from 0.023 to 0.075 cm, resulting in a maximum contribution to mass transfer of <45%. Estimated water concentrations by o-DGT at a wastewater treatment plant agreed well with grab samples and appeared to be less influenced by the boundary layer compared to that of polar organic chemical integrative samplers (POCIS) deployed simultaneously. The o-DGT sampler is a promising monitoring tool that is largely insensitive to the DBL under typical flow conditions, facilitating the application of measured/modeled diffusion-based sampling rates. This significantly reduces the need for sampler calibration, making o-DGT more widely applicable, reliable, and cost-effective compared to current polar passive samplers.

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Section: Resultsmentioning

confidence: 99%

Development and Calibration of an Organic-Diffusive Gradients in Thin Films Aquatic Passive Sampler for a Diverse Suite of Polar Organic Contaminants

2016

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“…Analysis of large numbers of compounds using liquid chromatography-high resolution mass spectrometry (LC–HRMS) has also proved effective including the potential flexibility for discovery of new compounds, metabolites and transformation products along with simultaneously performed targeted analysis ( Bade et al, 2015 ; Barron and McEneff, 2016 ; Munro et al, 2015 ). For a number of reasons, HRMS detectors are still not achieving the sensitivity of quadrupole-type instruments by comparison ( Martínez Bueno et al, 2007 ; Brown and Wong, 2015 ). Faster HRMS scan speeds may be required using sub-maximal resolution settings to adequately define narrow chromatographic bands for quantitative applications at ng L −1 sensitivity ( Munro et al, 2015 ; Rodriguez-Aller et al, 2013 ).…”

Section: Introductionmentioning

confidence: 99%

High-throughput multi-residue quantification of contaminants of emerging concern in wastewaters enabled using direct injection liquid chromatography-tandem mass spectrometry

Rapp-Wright

Egli

et al. 2020

Journal of Hazardous Materials

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“…While 45% of RAC is excreted in the urine, 11 an estimated 95% of this is the monoglucuronide conjugate. 13,14 While RAC metabolites were not targeted in this work, retrospective mining of the full-scan high-resolution (120 000) MS data did not reveal characteristic m/z ions 14 of the glucuronide metabolite in any samples, likely due to poor recoveries during extraction 57,58 (details in the Supporting Information). Additionally, the ratio of urine/feces excretion in steers on a typical high-energy diet is 1:2.75, further suggesting that feces likely represent the major contributor to floor RAC concentrations.…”

Section: Environmental Science and Technologymentioning

confidence: 98%

Ractopamine and Other Growth-Promoting Compounds in Beef Cattle Operations: Fate and Transport in Feedlot Pens and Adjacent Environments

Challis

Sura

Cantin

et al. 2021

Environ. Sci. Technol.

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The current study represents a comprehensive investigation of the occurrence and fates of trenbolone acetate (TBA) and metabolites 17α-trenbolone (17α-TBOH), 17β-TBOH, and trendione (TBO); melengesterol acetate (MGA); and the less commonly studied β-andrenergic agonist ractopamine (RAC) in two 8 month cattle feeding trials and simulated rainfall runoff experiments. Cattle were administered TBA, MGA, or RAC, and their residues were measured in fresh feces, pen floor material, and simulated rainfall runoff from pen floor surfaces and manure-amended pasture. Concentrations of RAC ranged from 3600 ng g–1, dry weight (dw), in pen floor to 58 000 ng g–1 in fresh feces and were, on average, observed at 3–4 orders of magnitude greater than those of TBA and MGA. RAC persisted in pen floors (manure t 1/2 = 18–49 days), and contamination of adjacent sites was observed, likely via transport of windblown particulates. Concentrations in runoff water from pen floors extrapolated to larger-scale commercial feedlots revealed that a single rainfall event could result in mobilization of gram quantities of RAC. This is the first report of RAC occurrence and fate in cattle feedlot environments, and will help understand the risks posed by this chemical and inform appropriate manure-management practices.

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Current trends in environmental analysis of human metabolite conjugates of pharmaceuticals

Cited by 14 publications

References 67 publications

Development and Calibration of an Organic-Diffusive Gradients in Thin Films Aquatic Passive Sampler for a Diverse Suite of Polar Organic Contaminants

Development and Calibration of an Organic-Diffusive Gradients in Thin Films Aquatic Passive Sampler for a Diverse Suite of Polar Organic Contaminants

High-throughput multi-residue quantification of contaminants of emerging concern in wastewaters enabled using direct injection liquid chromatography-tandem mass spectrometry

Ractopamine and Other Growth-Promoting Compounds in Beef Cattle Operations: Fate and Transport in Feedlot Pens and Adjacent Environments

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