Development and validation of qualitative screening, quantitative determination and post-targeted pesticide analysis in tropical fruits and vegetables by LC-HRMS

Barco, Iván Mauricio Huérfano; Amórtegui, Julio César España; Dallos, Jairo Arturo Guerrero

doi:10.1016/j.foodchem.2021.130714

Cited by 10 publications

(3 citation statements)

References 19 publications

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“…Currently, the rapid and high-throughput screening method is urgent to be developed for ensuring food safety with the boom of resident agricultural consumption because it helps to minimize the workload and cost involved in confirmation analysis by only selecting samples with contaminants for quantification. 44 Here, we performed OMMIPs-based LTP-MS for the direct screening of multi-pesticides in foodstuffs. The qualitative screening criteria were constructed according to the SANTE 12682/2019 method validation guideline with slight modifications.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“UV-Driven Self-Cleaning” Magnetic Molecularly Imprinted Absorbents Coupled with LTP-MS and LC-TQ-MS for Rapid High-Throughput Screening and Quantification of Organophosphorus Pesticides in Agro-products

Wang

Zhang

et al. 2023

J. Agric. Food Chem.

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Organophosphorus magnetic molecularly imprinted polymers (OMMIPs) with high adsorption capacities (13.5–83.8 mg g–1) and good applicability were developed for efficient extraction and pre-concentration of multiple organophosphorus pesticides (OPPs) from foodstuffs. The OMMIP-based sample pretreatment coupled with low-temperature plasma ambient ionization mass spectrometry achieved rapid screening for 90 kinds of pesticides at default maximum residue limits of National Standard (GB 2763-2021) in nine types of agro-products. The OMMIP-based liquid chromatography coupled with triple quadrupole mass spectroscopy assay demonstrated rapid magneto-actuated isolation, efficient removal of matrix interference, and reduced signal suppression, resulting in a short detection time (30 min), compliant recoveries (60.1–127.5%), low detection limits (0.0001–0.073 μg g–1), and simultaneous quantification of multi-pesticides. The yolk–shell-structured OMMIPs (Fe3O4@mTiO2@MIPs) demonstrated additional benefits of excellent ultraviolet light-driven catalytic degradation activity toward OPPs, making them eco-friendly for self-cleaning regeneration and reducing laboratory pesticide discharge. This work highlights the potential of OMMIPs for high-throughput and in situ pesticide monitoring in modern large-scale agricultural markets.

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Section: ■ Results and Discussionmentioning

confidence: 99%

“UV-Driven Self-Cleaning” Magnetic Molecularly Imprinted Absorbents Coupled with LTP-MS and LC-TQ-MS for Rapid High-Throughput Screening and Quantification of Organophosphorus Pesticides in Agro-products

Wang

Zhang

et al. 2023

J. Agric. Food Chem.

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“…The mass spectrometer was equipped with a heated electrospray ionization source (HESI II). The HESI II source parameters were optimized elsewhere [ 41 ] and set as follows: spray voltage of 3.5 kV in positive mode, sheath gas flow rate 35 arbitrary units (au), auxiliary gas flow rate 12 au, sweep gas flow rate 0 au, capillary temperature of 210 °C, auxiliary gas temperature of 350 °C, and S-lens radiofrequency of 50. An external mass calibration was performed daily with a mix of n-butylamine, caffeine, Ultramark 1621, and MRFA.…”

Section: Methodsmentioning

confidence: 99%

A green-footprint approach for parallel multiclass analysis of contaminants in roasted coffee via LC-HRMS

España Amórtegui,

Ekroth,

Pekar

et al. 2024

Anal Bioanal Chem

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The development and validation of a simple, comprehensive, and environment-friendly procedure to determine pesticide residues, naturally occurring and processing contaminants in roasted coffee is presented. A solid-liquid extraction of pesticides and mycotoxins with ethyl acetate and the concurrent partition of acrylamide to an aqueous phase follows a parallel analytical strategy that requires a single analytical portion to determine contaminants that are typically analyzed by dedicated single residue methods. The partition rules the lipids out of the aqueous extract before an “in-tube” dispersive solid phase microextraction (dSPME) for acrylamide retention. This is followed by the elution with buffer prior to injection. This extract is independently introduced into the system front end followed by the injection of the compounds from the organic phase, yet all spotted in the same run. A novel liquid chromatography high-resolution mass spectrometry (LC-HRMS) method setup enables the quantification of 186 compounds at 10 µg/kg, 226 at 5 µg/kg, and the acrylamide at 200 µg/kg for a total of 414 molecules, with acceptable recoveries (70–120%) and precision (RSD < 20%) making this strategy significantly faster and cost-effective than the dedicated single residue methods. Even though the presence of chlorpyrifos, acrylamide, and ochratoxin A was confirmed on samples of different origins, the findings were below the limit of quantification. During the storage of raw coffee, no proof of masking of OTA was found; however, condensation with glucose was evidenced during thermal processing experiments with sucrose by using stable isotope labeling (SIL). No detected conjugates were found in roasted nor in commercial sugar-added torrefacto samples, an industrial processing usually carried out above the decomposition temperature of the disaccharide. Graphical abstract

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“…The concept of data-independent acquisition (DIA) was first introduced and applied in proteomics (Venable et al, 2004) and has been used in other fields as well, such as metabolomics (Wang et al, 2019) and general unknown screening (Whitman and Lynch, 2019). On the basis of the width of the isolation window, several representative DIA strategies are available, including all-ion fragmentation (AIF, also called MS E ) (Geiger et al, 2010;Ventura et al, 2020;Huérfano Barco et al, 2022;Wasito et al, 2022) and sequential window acquisition of all theoretical fragment ion spectra (SWATH) (Gillet et al, 2012). The AIF mode transmits all precursor ions into CID for fragmentation and provides fragment ion information after each full MS scan, enabling qualitative and quantitative results in a single run.…”

Section: Introductionmentioning

confidence: 99%

Fast Screening and Identification of Illegal Adulterated Glucocorticoids in Dietary Supplements and Herbal Products Using UHPLC-QTOF-MS With All-Ion Fragmentation Acquisition Combined With Characteristic Fragment Ion List Classification

et al. 2021

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Ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS) with all-ion fragmentation (AIF) acquisition was established for an identification and quantification of illegal adulterated glucocorticoids in dietary supplements and herbal products. Next, a novel method called characteristic fragment ion list classification (CFILC) was developed for a fast screening of adulterated compounds. CFILC could provide the characteristic ions comprehensively and completely through direct extract from the MS2 library instead of finding them manually. This is time-saving and provides fast screening results with a high confidence level by filtering of a pre-calculated threshold of similarity scores for illegal adulterants that are not included in the library as well as for new emerging structural analogs. The obtained results demonstrated the great qualitative and quantitative strength of this approach, providing a promising and powerful method for a routine fast screening of illegal adulterated glucocorticoids.

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Development and validation of qualitative screening, quantitative determination and post-targeted pesticide analysis in tropical fruits and vegetables by LC-HRMS

Cited by 10 publications

References 19 publications

“UV-Driven Self-Cleaning” Magnetic Molecularly Imprinted Absorbents Coupled with LTP-MS and LC-TQ-MS for Rapid High-Throughput Screening and Quantification of Organophosphorus Pesticides in Agro-products

“UV-Driven Self-Cleaning” Magnetic Molecularly Imprinted Absorbents Coupled with LTP-MS and LC-TQ-MS for Rapid High-Throughput Screening and Quantification of Organophosphorus Pesticides in Agro-products

A green-footprint approach for parallel multiclass analysis of contaminants in roasted coffee via LC-HRMS

Fast Screening and Identification of Illegal Adulterated Glucocorticoids in Dietary Supplements and Herbal Products Using UHPLC-QTOF-MS With All-Ion Fragmentation Acquisition Combined With Characteristic Fragment Ion List Classification

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