High resolution mass spectrometry targeted analysis and suspect screening of pesticide residues in fruit samples and assessment of dietary exposure

Dimitrios Gkountouras; Vasiliki Boti; Triantafyllos Albanis

doi:10.1016/j.envpol.2024.124143

High resolution mass spectrometry targeted analysis and suspect screening of pesticide residues in fruit samples and assessment of dietary exposure

Environ Pollut. 2024 May 10:352:124143. doi: 10.1016/j.envpol.2024.124143. Online ahead of print.

Authors

Dimitrios Gkountouras¹, Vasiliki Boti², Triantafyllos Albanis³

Affiliations

¹ Department of Chemistry, University of Ioannina, Ioannina, 45110, Greece.
² Department of Chemistry, University of Ioannina, Ioannina, 45110, Greece; Institute of Environment and Sustainable Development, University Research Center of Ioannina (URCI), Ioannina, 45110, Greece. Electronic address: vboti@uoi.gr.
³ Department of Chemistry, University of Ioannina, Ioannina, 45110, Greece; Institute of Environment and Sustainable Development, University Research Center of Ioannina (URCI), Ioannina, 45110, Greece.

PMID: 38735465
DOI: 10.1016/j.envpol.2024.124143

Abstract

Fruits consistently hold a prominent position in healthy dietary habits. Pesticides are used to manage plant diseases, achieve sustainable production, and maintain high food standards. This study utilized a comprehensive analytical technique that involved both targeted analysis and suspect screening. Analysis was conducted using Ultra-high-performance liquid chromatography coupled with hybrid Linear Trap Quadrupole (LTQ)/Orbitrap High Resolution Mass Spectrometry (HRMS) to examine pesticide levels in fruits. The matrices chosen comprised fruit commodities that are commonly consumed in Greece, including table grapes, apples, pears, citrus fruits, and strawberries. The QuEChERS approach was effectively validated for 30 specific pesticides. According to the method acceptance criteria established by SANTE, the QuEChERS method have shown exceptional efficiency in extracting the chosen pesticides, with recovery rates ranging from 70% to 120% in three concentration levels (10, 50, 100 μg kg^-1). It also exhibited outstanding linearity, with an R² more than 0.99. The method exhibited exceptional precision, with relative standard deviations (RSDs) below 20%. Additionally, the combined measurement uncertainty (MU%) was found to be acceptable, remaining below 50% The quantification limits were below 10 μg kg^-1 for the majority of the analytes, satisfying the Maximum Residue Levels (MRLs) established by the European Commission. Following targeted analysis, a dietary risk assessment was performed, revealing that both acute and chronic hazard quotients (aHQ and cHQ), along with chronic hazard index (cHI) were below 1, which indicated that the studied commodities are safe for human consumption. In addition, a suspect screening workflow was developed based on an in-house database comprising 355 pesticides commonly applied to the relevant commodities and related transformation products (TPs). Overall, through suspect screening, twenty-two additional pesticides and TPs not included in the target list were identified. Hence, this approach is anticipated to function as proactive alert system guaranteeing the long-term viability of agricultural production.

Keywords: Dietary exposure; Fruits; LC-LTQ/Orbitrap MS; Measurement uncertainty; Pesticides; Suspect screening.