Qualitative screening for new psychoactive substances in wastewater collected during a city festival using liquid chromatography coupled to high-resolution mass spectrometry

Research output: Contribution to journalJournal articleResearchpeer-review

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Qualitative screening for new psychoactive substances in wastewater collected during a city festival using liquid chromatography coupled to high-resolution mass spectrometry. / Causanilles, Ana; Kinyua, Juliet; Ruttkies, Christoph; van Nuijs, Alexander L.N.; Emke, Erik; Covaci, Adrian; de Voogt, Pim.

In: Chemosphere, Vol. 184, 2017, p. 1186-1193.

Research output: Contribution to journalJournal articleResearchpeer-review

Harvard

Causanilles, A, Kinyua, J, Ruttkies, C, van Nuijs, ALN, Emke, E, Covaci, A & de Voogt, P 2017, 'Qualitative screening for new psychoactive substances in wastewater collected during a city festival using liquid chromatography coupled to high-resolution mass spectrometry', Chemosphere, vol. 184, pp. 1186-1193. https://doi.org/10.1016/j.chemosphere.2017.06.101

APA

Causanilles, A., Kinyua, J., Ruttkies, C., van Nuijs, A. L. N., Emke, E., Covaci, A., & de Voogt, P. (2017). Qualitative screening for new psychoactive substances in wastewater collected during a city festival using liquid chromatography coupled to high-resolution mass spectrometry. Chemosphere, 184, 1186-1193. https://doi.org/10.1016/j.chemosphere.2017.06.101

Vancouver

Causanilles A, Kinyua J, Ruttkies C, van Nuijs ALN, Emke E, Covaci A et al. Qualitative screening for new psychoactive substances in wastewater collected during a city festival using liquid chromatography coupled to high-resolution mass spectrometry. Chemosphere. 2017;184:1186-1193. https://doi.org/10.1016/j.chemosphere.2017.06.101

Author

Causanilles, Ana ; Kinyua, Juliet ; Ruttkies, Christoph ; van Nuijs, Alexander L.N. ; Emke, Erik ; Covaci, Adrian ; de Voogt, Pim. / Qualitative screening for new psychoactive substances in wastewater collected during a city festival using liquid chromatography coupled to high-resolution mass spectrometry. In: Chemosphere. 2017 ; Vol. 184. pp. 1186-1193.

Bibtex

@article{a6af44db9e334034b6bd19657752fe82,
title = "Qualitative screening for new psychoactive substances in wastewater collected during a city festival using liquid chromatography coupled to high-resolution mass spectrometry",
abstract = "The inclusion of new psychoactive substances (NPS) in the wastewater-based epidemiology approach presents challenges, such as the reduced number of users that translates into low concentrations of residues and the limited pharmacokinetics information available, which renders the choice of target biomarker difficult. The sampling during special social settings, the analysis with improved analytical techniques, and data processing with specific workflow to narrow the search, are required approaches for a successful monitoring. This work presents the application of a qualitative screening technique to wastewater samples collected during a city festival, where likely users of recreational substances gather and consequently higher residual concentrations of used NPS are expected. The analysis was performed using liquid chromatography coupled to high-resolution mass spectrometry. Data were processed using an algorithm that involves the extraction of accurate masses (calculated based on molecular formula) of expected m/z from an in-house database containing about 2,000 entries, including NPS and transformation products. We positively identified eight NPS belonging to the classes of synthetic cathinones, phenethylamines and opioids. In addition, the presence of benzodiazepine analogues, classical drugs and other licit substances with potential for abuse was confirmed. The screening workflow based on a database search was useful in the identification of NPS biomarkers in wastewater. The findings highlight the specific classical drugs and low NPS use in the Netherlands. Additionally, meta-chlorophenylpiperazine (mCPP), 2,5-dimethoxy-4-bromophenethylamine (2C-B), and 4-fluoroamphetamine (FA) were identified in wastewater for the first time.",
keywords = "Designer drugs, Drugs abuse, High-resolution mass spectrometry, Suspect screening, Wastewater-based epidemiology",
author = "Ana Causanilles and Juliet Kinyua and Christoph Ruttkies and {van Nuijs}, {Alexander L.N.} and Erik Emke and Adrian Covaci and {de Voogt}, Pim",
note = "Publisher Copyright: {\textcopyright} 2017 Elsevier Ltd",
year = "2017",
doi = "10.1016/j.chemosphere.2017.06.101",
language = "English",
volume = "184",
pages = "1186--1193",
journal = "Chemosphere",
issn = "0045-6535",
publisher = "Pergamon Press",

}

RIS

TY - JOUR

T1 - Qualitative screening for new psychoactive substances in wastewater collected during a city festival using liquid chromatography coupled to high-resolution mass spectrometry

AU - Causanilles, Ana

AU - Kinyua, Juliet

AU - Ruttkies, Christoph

AU - van Nuijs, Alexander L.N.

AU - Emke, Erik

AU - Covaci, Adrian

AU - de Voogt, Pim

N1 - Publisher Copyright: © 2017 Elsevier Ltd

PY - 2017

Y1 - 2017

N2 - The inclusion of new psychoactive substances (NPS) in the wastewater-based epidemiology approach presents challenges, such as the reduced number of users that translates into low concentrations of residues and the limited pharmacokinetics information available, which renders the choice of target biomarker difficult. The sampling during special social settings, the analysis with improved analytical techniques, and data processing with specific workflow to narrow the search, are required approaches for a successful monitoring. This work presents the application of a qualitative screening technique to wastewater samples collected during a city festival, where likely users of recreational substances gather and consequently higher residual concentrations of used NPS are expected. The analysis was performed using liquid chromatography coupled to high-resolution mass spectrometry. Data were processed using an algorithm that involves the extraction of accurate masses (calculated based on molecular formula) of expected m/z from an in-house database containing about 2,000 entries, including NPS and transformation products. We positively identified eight NPS belonging to the classes of synthetic cathinones, phenethylamines and opioids. In addition, the presence of benzodiazepine analogues, classical drugs and other licit substances with potential for abuse was confirmed. The screening workflow based on a database search was useful in the identification of NPS biomarkers in wastewater. The findings highlight the specific classical drugs and low NPS use in the Netherlands. Additionally, meta-chlorophenylpiperazine (mCPP), 2,5-dimethoxy-4-bromophenethylamine (2C-B), and 4-fluoroamphetamine (FA) were identified in wastewater for the first time.

AB - The inclusion of new psychoactive substances (NPS) in the wastewater-based epidemiology approach presents challenges, such as the reduced number of users that translates into low concentrations of residues and the limited pharmacokinetics information available, which renders the choice of target biomarker difficult. The sampling during special social settings, the analysis with improved analytical techniques, and data processing with specific workflow to narrow the search, are required approaches for a successful monitoring. This work presents the application of a qualitative screening technique to wastewater samples collected during a city festival, where likely users of recreational substances gather and consequently higher residual concentrations of used NPS are expected. The analysis was performed using liquid chromatography coupled to high-resolution mass spectrometry. Data were processed using an algorithm that involves the extraction of accurate masses (calculated based on molecular formula) of expected m/z from an in-house database containing about 2,000 entries, including NPS and transformation products. We positively identified eight NPS belonging to the classes of synthetic cathinones, phenethylamines and opioids. In addition, the presence of benzodiazepine analogues, classical drugs and other licit substances with potential for abuse was confirmed. The screening workflow based on a database search was useful in the identification of NPS biomarkers in wastewater. The findings highlight the specific classical drugs and low NPS use in the Netherlands. Additionally, meta-chlorophenylpiperazine (mCPP), 2,5-dimethoxy-4-bromophenethylamine (2C-B), and 4-fluoroamphetamine (FA) were identified in wastewater for the first time.

KW - Designer drugs

KW - Drugs abuse

KW - High-resolution mass spectrometry

KW - Suspect screening

KW - Wastewater-based epidemiology

U2 - 10.1016/j.chemosphere.2017.06.101

DO - 10.1016/j.chemosphere.2017.06.101

M3 - Journal article

C2 - 28672699

AN - SCOPUS:85021281637

VL - 184

SP - 1186

EP - 1193

JO - Chemosphere

JF - Chemosphere

SN - 0045-6535

ER -

ID: 275537141