On the Use of In-Source Fragmentation in Ultrahigh-Performance Liquid Chromatography–Electrospray Ionization–High-Resolution Mass Spectrometry for Pesticide Residue Analysis

He, Zhimin; Xu, Yujuan; Zhang, Yanwei; Liu, Bingjie; Liu, Xiaowei

doi:10.1021/acs.jafc.9b04583

Cited by 16 publications

(12 citation statements)

References 19 publications

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“…However, pesticide residues in air, water, soil, and agricultural products form a potential threat for ecosystem security and human health. − Therefore, there is a great demand to develop simple, rapid, and sensitive analytical methods to identify and quantify specific pesticide residues. To date, various detection methods, including ultrahigh performance liquid chromatography, gas chromatography, mass spectrometry, and fluorescent spectroscopy, for pesticide residues have been developed. − Among these methods, the fluorescent spectroscopy approach is one of the favored techniques because it is excellently selective, highly sensitive, quickly responsive, and simple to operate. However, developing effective fluorescent probe systems for specific pesticides remains a great challenge.…”

Section: Introductionmentioning

confidence: 99%

Detecting Pesticide Dodine by Displacement of Fluorescent Acridine from Cucurbit[10]uril Macrocycle

Luo

Zhao

et al. 2020

J. Agric. Food Chem.

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According to a simple guest-replacement fluorescence turn-on mechanism, we constructed a fluorescent probe system based on cucurbit[10]uril (Q[10]) and protonated acridine (AD) to detect the pesticide dodine (DD). Formation of a homoternary inclusion complex AD 2@Q[10] in both aqueous solution and solid state was studied by means of 1H NMR spectroscopy and X-ray crystallography. Although AD can emit strong fluorescence in aqueous solution, the homoternary inclusion complex AD 2@Q[10] does not exhibit any fluorescence. Upon the addition of the pesticide DD into the aqueous solution of AD 2@Q[10], the AD molecules in the Q[10] cavity are displaced by the pesticide DD, and strong fluorescence recovers. The fluorescent probe system based on Q[10] and AD provided a wide determination of DD from 0 to 4.0 × 10–5 mol·L–1 with a low limit of detection of 1.827 × 10–6 mol·L–1. The guest-replacement fluorescence turn-on mechanism is also confirmed by 1H NMR spectroscopy. Further, the fluorescent probe can directly detect DD residues in real agricultural products, and obvious fluorescence signal was observed under UV irradiation.

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Section: Introductionmentioning

confidence: 99%

Detecting Pesticide Dodine by Displacement of Fluorescent Acridine from Cucurbit[10]uril Macrocycle

Luo

Zhao

et al. 2020

J. Agric. Food Chem.

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“…Various pesticides are widely used around the world due to their high efficiency and reliability for crop protection against pests and increasing agricultural production (He, Xu, Zhang, Liu, & Liu, 2019; Yang, Qian et al, 2019). However, improper use of pesticides will not only cause pollution to the ecosystem (Guida, Meire, Torres, & Malm, 2018) but also have a negative impact on humans (Amvrazi & Albanis, 2006).…”

Section: Introductionmentioning

confidence: 99%

Pesticide residues identification by impedance time‐sequence spectrum of enzyme inhibition on multilayer paper‐based microfluidic chip

Yang

et al. 2020

J Food Process Engineering

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Different organophosphorus pesticides (OPs) normally vary in the level of toxicity to human health, but common electrochemical identification methods usually require complex electrode fabrication processes and high detection cost. To overcome these problems, a pesticide residues identification method based on multilayer paper-based microfluidic chip was proposed. The microfluidic chip integrates the enzyme inhibition and a label-free screen-printed carbon electrode (SPCE). Three different pesticides were selected as study objects, respectively, avermectin, phoxim, dimethoate. This chip realizes on-chip identification via analyzing impedance time-sequence spectrum data aroused by the enzyme inhibition during the 15 min period. A classification model based on principal component analysis (PCA) and support vector machines (SVMs) was established to evaluate these data. Furthermore, the real-world sample (lettuce) was tested to verify the feasibility of the proposed detection method. The results showed that the classification accuracy was achieved around 93% in multiple experiments. Therefore, the method has good stability and specificity in rapid identification of different pesticides. Practical Applications Identification of pesticide types is essential to human health, for this, impedance time-sequence spectrum data aroused by the enzyme inhibition during the 15 min period was used to establish a classification model to identity different types of pesticides. In this article, multilayer paper-based microfluidic chip and a label-free screenprinted carbon electrode (SPCE) was proposed without complicated operation steps and expensive cost, which provide a basis for establishment of the rapid pesticide discriminator.

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“…In-source fragmentation (ISF) or in-source collision-induced dissociation (IS-CID) is an inherent and inevitable phenomenon, which occurs at the intermediate pressure region between the ion source (atmospheric pressure) and mass analyzer (vacuum chamber) in mass spectrometer. − The ISF is of nonselectivity and strong dependence on the potential difference between orifice (nozzle) and QJet (skimmer). − The nonselective ISF may complicate the acquired mass spectra, leading to difficulty in assigning the ion peaks in the mass spectra. ,,,, In extreme cases, even molecular ion peak information on analytes cannot be obtained . Therefore, some researchers have made great efforts to eliminate or reduce the negative effect of ISF in liquid chromatography–mass spectrometry (LC-MS) analysis by adjusting the in-source parameters. ,,, …”

mentioning

confidence: 99%

“…5−9 The nonselective ISF may complicate the acquired mass spectra, leading to difficulty in assigning the ion peaks in the mass spectra. 2,5,6,8,10 In extreme cases, even molecular ion peak information on analytes cannot be obtained. 5 Therefore, some researchers have made great efforts to eliminate or reduce the negative effect of ISF in liquid chromatography−mass spectrometry (LC-MS) analysis by adjusting the in-source parameters.…”

mentioning

confidence: 99%

“…2,5,6,8,10 In extreme cases, even molecular ion peak information on analytes cannot be obtained. 5 Therefore, some researchers have made great efforts to eliminate or reduce the negative effect of ISF in liquid chromatography−mass spectrometry (LC-MS) analysis by adjusting the in-source parameters. 2,4,10,11 On the other hand, ISF provides an additional collision stage prior to the mass analyzer's work, which enables acquisition of abundant mass spectral information even from the soft electrospray ionization (ESI) source.…”

mentioning

confidence: 99%

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Integration of Chemical Derivatization and in-Source Fragmentation Mass Spectrometry for High-Coverage Profiling of Submetabolomes

Zhu

Wang

et al. 2021

Anal. Chem.

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In-source fragmentation-based high-resolution mass spectrometry (ISF-HRMS) is a potential analytical technique, which is usually used to profile some specific compounds that can generate diagnostic neutral loss (NL) or fragment ion (FI) in ion source inherently. However, the ISF-HRMS method does not work for those compounds that cannot inherently produce diagnostic NL or FI in ion source. In this study, a derivatization-based in-source fragmentation-information-dependent acquisition (DISF-IDA) strategy was proposed for profiling the metabolites with easily labeled functional groups (submetabolomes) by liquid chromatography-electrospray ionization-quadrupole time-of-flight mass spectrometry (LC-ESI-Q-TOF MS). As a proof-of-concept study, 36 carboxylated compounds labeled with N,N-dimethylethylenediamine (DMED) were selected as model compounds to examine performance of DISF-IDA strategy in screening the carboxylated metabolites and acquiring their MSn spectra. In ESI source, the DEMD-derived carboxylated compounds were fragmented to produce characteristic neutral losses of 45.0578, 63.0684, and/or 88.1000 Da that were further used as diagnostic features for screening the carboxylated metabolites by DISF-IDA-based LC-Q-TOF MS. Furthermore, high-resolution MSn spectra of the model compounds were also obtained within a single run of DISF-IDA-based LC-Q-TOF MS analysis, which contributed to the improvement of the annotation confidence. To further verify its applicability, DISF-IDA strategy was used for profiling carboxylated submetabolome in mice feces. Using this strategy, a total of 351 carboxylated metabolites were detected from mice feces, of which 178 metabolites (51% of the total) were positively or putatively identified. Moreover, DISF-IDA strategy was also demonstrated to be applicable for profiling other submetabolomes with easily labeled functional groups such as amino, carbonyl, and cis-diol groups. Overall, our proposed DISF-IDA strategy is a promising technique for high-coverage profiling of submetabolomes with easily labeled functional groups in biological samples.

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On the Use of In-Source Fragmentation in Ultrahigh-Performance Liquid Chromatography–Electrospray Ionization–High-Resolution Mass Spectrometry for Pesticide Residue Analysis

Cited by 16 publications

References 19 publications

Detecting Pesticide Dodine by Displacement of Fluorescent Acridine from Cucurbit[10]uril Macrocycle

Detecting Pesticide Dodine by Displacement of Fluorescent Acridine from Cucurbit[10]uril Macrocycle

Pesticide residues identification by impedance time‐sequence spectrum of enzyme inhibition on multilayer paper‐based microfluidic chip

Integration of Chemical Derivatization and in-Source Fragmentation Mass Spectrometry for High-Coverage Profiling of Submetabolomes

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