Searching for pharmaceutically active products and metabolites in environmental waters of Peru by HRMS-based screening: Proposal for future monitoring and environmental risk assessment

Fabregat‐Safont, David; Botero-Coy, Ana María; Nieto-Juárez, Jessica I.; Torres-Palma, Ricardo A.; Hernández, Félix

doi:10.1016/j.chemosphere.2023.139375

Cited by 5 publications

(6 citation statements)

References 38 publications

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“…To the best of our knowledge, we report here the detection of irbesartan metabolites M1 (Level 2b), M3 (Level 2b) and M4 (Level 2b) in wastewater for the first time. In addition, metabolite M5 (Level 2b), which was previously detected in wastewater effluent, and metabolites M6 (Level 3) and SR49498 (Level 2b), which were previously detected in wastewater influent, were identified. The highest concentrations were found for metabolite M5 in Altenrhein samples, amounting to over 1000 ng/L.…”

Section: Resultsmentioning

confidence: 98%

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How Wastewater Reflects Human Metabolism─Suspect Screening of Pharmaceutical Metabolites in Wastewater Influent

Meyer,

Stravs,

Hollender

2024

Environ. Sci. Technol.

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Pharmaceuticals and their human metabolites are contaminants of emerging concern in the aquatic environment. Most monitoring studies focus on a limited set of parent compounds and even fewer metabolites. However, more than 50% of the most consumed pharmaceuticals are excreted in higher amounts as metabolites than as parents, as confirmed by a literature analysis within this study. Hence, we applied a wide-scope suspect screening approach to identify human pharmaceutical metabolites in wastewater influent from three Swiss treatment plants. Based on consumption amounts and human metabolism data, a suspect list comprising 268 parent compounds and over 1500 metabolites was compiled. Online solid phase extraction combined with liquid chromatography coupled to high-resolution tandem mass spectrometry was used to analyze the samples. Data processing, annotation, and structure elucidation were achieved with various tools, including molecular networking as well as SIRIUS/CSI:FingerID and MetFrag for MS2 spectra rationalization. We confirmed 37 metabolites with reference standards and 16 by human liver S9 incubation experiments. More than 25 metabolites were detected for the first time in influent wastewater. Semiquantification with MS2Quant showed that metabolite to parent concentration ratios were generally lower compared to literature expectations, probably due to further metabolite transformation in the sewer system or limitations in the metabolite detection. Nonetheless, metabolites pose a large fraction to the total pharmaceutical contribution in wastewater, highlighting the need for metabolite inclusion in chemical risk assessment.

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Section: Resultsmentioning

confidence: 98%

“…Compounds for which a human liver S9 incubation was conducted but the corresponding metabolite was not identified are marked with *. Chemical identifiers for all shown compounds can be found in SI-B3. ,− …”

Section: Resultsmentioning

confidence: 99%

How Wastewater Reflects Human Metabolism─Suspect Screening of Pharmaceutical Metabolites in Wastewater Influent

Meyer,

Stravs,

Hollender

2024

Environ. Sci. Technol.

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“…However, few studies have analysed chemical substances in this regard (i.e., the measurement of antimicrobials in the environment) because chemical measurement systems are complex and require numerous laboratory instruments. The number of cases studied in each country is limited to a few regions, and a national overview has not yet been compiled [43,44]. Therefore, the successful development of an HTA system with excellent speed and accuracy will make it possible to conduct nationwide monitoring of antimicrobials in environmental waters for comprehensively elucidating the current status of AMR, which has been difficult in the past [23,45,46].…”

Section: Introductionmentioning

confidence: 99%

Development of a High-Throughput Analytical Method for Antimicrobials in Wastewater Using an Automated Pipetting and Solid-Phase Extraction System

Azuma,

Matsunaga,

Ohmagari

et al. 2024

Antibiotics

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Antimicrobial resistance (AMR) has emerged and spread globally. Recent studies have also reported the presence of antimicrobials in a wide variety of aquatic environments. Conducting a nationwide monitoring survey of AMR in the environment to elucidate its status and to assess its impact on ecosystems and human health is of social importance. In this study, we developed a novel high-throughput analysis (HTA) system based on a 96-well plate solid-phase extraction (SPE), using automated pipetting and an SPE pre-treatment system. The effectiveness of the system as an HTA for antimicrobials in environmental water was verified by comparing it with a conventional manual analytical system in a domestic hospital over a period of two years and four months. The results of the manual analysis and HTA using a combination of automated pipetting and SPE systems were generally consistent, and no statistically significant difference was observed (p > 0.05) between the two systems. The agreement ratios between the measured concentrations based on the conventional and HTA methods were positively correlated with a correlation coefficient of r = 0.99. These results indicate that HTA, which combines automated pipetting and an SPE pre-treatment system for rapid, high-volume analysis, can be used as an effective approach for understanding the environmental contamination of antimicrobials at multiple sites. To the best of our knowledge, this is the first report to present the accuracy and agreement between concentrations based on a manual analysis and those measured using HTA in hospital wastewater. These findings contribute to a comprehensive understanding of antimicrobials in aquatic environments and assess the ecological and human health risks associated with antimicrobials and antimicrobial-resistant bacteria to maintain the safety of aquatic environments.

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“…It should be noted that metabolites could be found at higher concentrations than the parent antibiotic, and they may have the same or higher level of toxicity to the environment than unaltered compound. However, only data on concentrations of parent compounds are usually reported, but the information on the presence of metabolites in the aquatic media is crucial to obtain a comprehensive overview of the current situation (Fabregat-Safont et al, 2023a;Ibáñez et al, 2017Ibáñez et al, , 2021Löffler et al, 2023;Wielens Becker et al, 2020). Yet, reference standards of metabolites are not always available.…”

Section: Introductionmentioning

confidence: 99%

“…Yet, reference standards of metabolites are not always available. Under this situation, the complementary quantitative target analysis, usually focused on parent antibiotics, and the wide-scope screening based on high-resolution mass spectrometry (HRMS) can provide relevant information on the presence of both antibiotics and their metabolites (Fabregat-Safont et al, 2023a;Fabregat-Safont et al, 2021).…”

Section: Introductionmentioning

confidence: 99%

Comprehensive study on the potential environmental risk of temporal antibiotic usage through wastewater discharges

Gracia-Marín,

Rico,

Fabregat-Safont

et al. 2024

Chemosphere

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Searching for pharmaceutically active products and metabolites in environmental waters of Peru by HRMS-based screening: Proposal for future monitoring and environmental risk assessment

Cited by 5 publications

References 38 publications

How Wastewater Reflects Human Metabolism─Suspect Screening of Pharmaceutical Metabolites in Wastewater Influent

How Wastewater Reflects Human Metabolism─Suspect Screening of Pharmaceutical Metabolites in Wastewater Influent

Development of a High-Throughput Analytical Method for Antimicrobials in Wastewater Using an Automated Pipetting and Solid-Phase Extraction System

Comprehensive study on the potential environmental risk of temporal antibiotic usage through wastewater discharges

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