FOOD CONTROL
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2022
·
IF 6.652
Zhiyong Zhao,Hengchao E,Enjing Tian,Tingting Fan,Xianli Yang,Xiaobei Li,Yanmei Zhang,Xujiao Li,Ailiang Chen,Changyan Zhou,Xiaoyan Zhao
Foodborne poisoning caused by the cyclopeptide toxins-producing mushroom species seriously endangers human life health. In recent years discovery of new cyclopeptides is getting more attention not only for their toxicity but also for their specific bioactivity. In this study, a combined strategy using liquid chromatography tandem high resolution mass spectrometry and the feature-based molecular networking analysis was established to identify the known cyclopeptide toxins and discover new cyclopeptides in the cyclopeptide toxins-producing mushroom species. The specific fragmentation behaviors of the known cyclopeptide toxins were systematically annotated. Four new phallotoxin analogues were identified for the first time, the chemical structures of which were completely deduced. Moreover, the chemical profiles of the toxic cyclopeptides in lethal mushroom Amanita and Lepiota species were investigated by the self-built cyclopeptides database. The developed strategy could be utilized as a useful tool for identifying the cyclopeptide toxins-induced food poisoning , as well as aid in the discovery of more unknown cyclopeptides.
研究领域:
食品科学
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毒理学
·
分析化学
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DOI
高影响因子
Journal of Food Measurement and Characterization
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2025
·
IF 3.3
Zhong Shu-Rui,Li Yun,Lai Yu-Ping,Luo Er-Lun,Wang Jie,Chen Jing,Du Ye-Gang
Non-targeted metabolomics was employed to analyze metabolites in wet rice noodles fermented by Burkholderia gladioli pv. cocovenenans (BGC) to explore the potential formation of bongkrekic acid (BA). Three groups were incubated for 72 h: the pathogenic strain BGC 83756-inoculated group, the non-pathogenic strain Burkholderia gladioli (BG) 10574-inoculated group, and a blank control (BK) group. Metabolite dynamics were monitored using ultra-performance liquid chromatography-high resolution tandem mass spectrometry (UPLC-HRMS/MS). BA was not detected in either the BK group or the BG 10574-fermented group during incubation. In contrast, BA was first detected in the BGC 83756-inoculated group at 16 h of fermentation and reached a concentration of approximately 4,800 μg/kg in the late stages of culture. A total of 723 and 606 metabolites were identified in negative and positive ion modes, respectively. Differential metabolites, including BA, α-dimorphecolic acid, and calystegine B 5 , were significantly upregulated in the BGC 83756-fermented group compared to the BG 10574-fermented group. Conversely, sinapic acid, saccharopine, 2-methylbutyrylglycine, and 2-keto-6-acetamidocaproate were significantly downregulated. The non-targeted metabolomics analysis of the BA biosynthetic pathway generally aligned with the bon gene cluster predictions, except for β-branching events.
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2024
·
IF 3.8
Huo Jinfeng,Zhe Wei,Zhang Yipeng,Yang Qianxu,Zeng Zhongda
The chemical components of natural fragrant plant extracts are of high complexity, and the strategies for quality control (QC) and further discovery of fragrance mechanisms still need to be further investigated. This study integrated the strategies and methods of untargeted metabolomics and chemometrics and statistical modeling to attain the goal. The techniques of reversed-phase and HILIC analysis of ultra-performance liquid chromatography-high-resolution mass spectrometry (UPLC-HRMS) were simultaneously used to collect data in both positive and negative ion modes. The pattern analysis of fingerprints and discovery of characteristic molecular markers for QC analysis were comprehensively employed to reach in-depth analysis of the quality variation and discovery of differential molecules among natural fragrant plant extracts. The former uses fingerprint technique to analyze their overall similarities and differences, and the latter comprehensively discovers molecular substances characterizing the chemical characteristics of fragrant extracts with the help of metabolomics and univariate and multivariate methods. The findings are expected to be used as the molecular markers in product manufacturing, sales, and consumption to achieve accurate quality control and recognition of targeted molecules for potential quality monitoring using spectroscopy techniques. In this work, 27 natural fragrant extracts were applied as examples, and their chemical components were comprehensively analyzed with discovery of markers for quality control. After data integration, 1178 molecules were annotated, and 267 differential metabolite molecules with the values of variable importance in the projection (VIP) larger than 1.0 were found. The results show that the method proposed in this work is of great significance for high-coverage analysis, QC marker discovery, and aroma mechanism elucidation, which has potential applications in the areas of food, cosmetics, pharmaceuticals, tobacco, and others. Graphical Abstract
研究领域:
分析化学
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植物学
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食品科学
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药学
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DOI
PubMed
高影响因子
MICROCHIMICA ACTA
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2020
·Vol. 187
·期 2
·1-11
·
IF 6.232
Di Siyuan,Yu Jing,Chen Pin,Zhu Gangtian,Zhu Shukui
A net-like mesoporous carbon nanocomposite (MCN) was hydrothermally prepared by using filter paper as the raw material. The MCN contains magnetic nanoparticles of type Fe 3 O 4 which result from the addition of Fe(NO 3 ) 3 ·9H 2 O during synthesis. The MCN was characterized by X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, Raman spectra, Brunauer-Emmett-Teller methods and vibrating sample magnetometry. The MCN is shown to be a viable material for magnetic solid-phase extraction of trace sulfonamides (SAs) including sulfadiazine, sulfapyridine, sulfamerazine, sulfamethazine, sulfamethizole, sulfamethoxypridazine, sulfachloropyridazine and sulfadimethoxine. Following desorption with acetone containing 0.5% ammonia, the SAs were quantified by UPLC with high-resolution mass spectrometric detection. With sulfamethazine as an example, the adsorption equilibrium configurations and the major interaction mechanism between SAs and the MCN were calculated by using density functional theory. Under the optimal conditions, the calibration plots are linear in the 0.05–10 ng·mL −1 SA concentration ranges. The limits of detection are between 7.2 and 13.6 ng·L −1 . The recoveries from spiked samples ranged from 79 to 107%, with relative standard deviations of <9.9%.
Schematic representation of nanocomposite preparation, adsorption mechanism of sulfonamide and magnetic solid-phase extraction (MSPE) for sulfadiazine (SDZ), sulfapyridine (SPD), sulfamerazine (SMR), sulfamethazine (SMZ), sulfamethizole (SMT), sulfamethoxypridazine (SMP), sulfachloropyridazine (SCP) and sulfadimethoxine (SDMX). Quantification was accomplished by UPLC with high-resolution mass spectrometric detection
研究领域:
分析化学
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环境科学
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DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
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2026
·
IF 5.2
Ying-Fang Jian,Mei Li,Hai-Sha Liu,Jin-Kuang Jiang,Dong-Mei Chen,Xiu-Fang Yan,Chao Kang,Ya-Juan Liu
Apple branch canker, caused by Botryosphaeria dothidea , poses a serious threat to apple production worldwide. Despite its economic importance, current understanding and analysis techniques of the infection dynamics and host defense responses remains limited. Here, an in situ , label-free, high-throughput, and precise imaging method based on confocal Raman microspectroscopic imaging coupled with chemometrics was developed to characterize key defensive constituents, including lipids, lignin, phenols, cellulose, hemicellulose, and pectin, within the cuticle and cell wall, and to monitor their spatiotemporal dynamics across the epidermis and cortex. During infection, lignin of the cuticle in epidermis initially decreased while lipids and phenols increased; Defensive components of cell wall in the cortex decreased and then increased by 3 days; All these constituents decreased by 5 days, leading to disease symptoms. Furthermore, to gain a systems-level understanding, untargeted metabolomics using UPLC–Q–Orbitrap–MS and machine learning screened 2090 differential metabolites (including phenylpropanoids and polyketides, organic heterocyclic compounds, lipids, and lipid-like molecules), and revealed significantly enriched metabolic pathways associated with defense activation ( e.g. , isoquinoline alkaloid biosynthesis, flavonoid biosynthesis). Additionally, a rapid, non-destructive diagnostic platform integrating Raman spectroscopy with machine learning achieved early detection of apple branch canker with an overall accuracy of 97.2%. Collectively, this integrated multi-technology strategy provides new insights into the pathogenicity and defense responses of fruit trees and establishes a non-destructive tool for early disease diagnosis.
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高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2019
·
IF 2.813
Shengdong Pan,Jiabin Zhang,Qian He,Xiaohong Chen,Micong Jin
In this study, novel benzenesulfonic acid groups modified magnetic microspheres (Fe 3 O 4 @SiO 2 @poly(4-VB)) were synthesized and characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier-transform infrared spectrometry (FTIR), and vibrating sample magnetometer (VSM). The as-prepared Fe 3 O 4 @SiO 2 @poly(4-VB) was employed as a magnetic-phase extraction (MSPE) adsorbent for rapid determination of paraquat (PQ) and diquat (DQ) in human urine samples coupled with ultra-high performance liquid chromatography-high resolution mass spectrometry (UPLC-HRMS). Moreover, this paper had expounded systematically the mass spectrum cracking mechanisms of PQ and DQ. And a zwitterionic functionalized SIELC Obelisc R column was employed for separation and retention of the above two polar herbicides using 50 mmol/L ammonium formate (pH = 3.7)-acetonitrile as the mobile phase. Besides, the adsorption and desorption conditions of Fe 3 O 4 @SiO 2 @poly(4-VB) toward PQ and DQ were optimized in spiking urine samples to obtain the best adsorption and desorption efficiencies. And the adsorption mechanisms of Fe 3 O 4 @SiO 2 @poly(4-VB) toward PQ and DQ referred to synergetic effect of electrostatic attraction and π-π interaction. Under the optimal conditions, the inter-day and intra-day spiking recoveries of the proposed method were in the range of 86.7–109.9% with RSDs less than 10%. The limits of detection (LODs) were obtained by spiking in blank urine samples at a series of low concentrations and were found to be 0.12 μg/L and 0.14 μg/L for PQ and DQ, respectively, which were lower than the comparing literatures. The developed analytical method was proven to be simple, rapid, sensitive, and accurate for clinical poisoning analysis.
研究领域:
分析化学
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毒理学
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临床医学
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DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2023
·
IF 8.2
Qiuyang Huang,Xiaoling Zang,Zhiwei Zhang,Hang Yu,Baoyan Ding,Zhuangzhuang Li,Simin Cheng,Xin Zhang,Mustafa R.K. Ali,Xue Qiu,Zhihua Lv
The discovery of new anti-cancer drugs targeting the PD-1/PD-L1 pathway has been a research hotspot in recent years. In this study, biological affinity ultrafiltration (BAU), UPLC-HRMS, molecular dynamic (MD) simulations and molecular docking methods were applied to search for endogenous active compounds that can inhibit the binding of PD-L1 to PD-1. We screened dozens of potential cancer related endogenous compounds. Surprisingly, cyclic adenosine monophosphate (cAMP) was found to have a direct inhibitory effect on the PD-1/PD-L1 binding with an in vitro IC 50 value of about 36.4 ± 9.3 μM determined by homogeneous time-resolved fluorescence (HTRF) assay. cAMP could recover the proliferation of Jurkat T cells co-cultured with DU-145 cells and may suppress PD-L1 expression of DU-145 cells. cAMP was demonstrated to bind and induce PD-L1 dimerization by FRET assay, and also predicted by MD simulations and molecular docking. The finding of cAMP as a potential inhibitor directly targeting the PD-1/PD-L1 interaction could advance our understanding of the activity of endogenous compounds regulating PD-L1.
研究领域:
肿瘤学
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药理学
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分子生物学
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细胞生物学
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产品关联
DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2024
·Vol. 416
·期 28
·6621-6638
·
IF 3.8
Chen Chang,Zheng Ting,Chen Yang,Li Zegeng,Wu Huan
The preparation of cellular metabolomics samples and how to achieve comprehensive coverage of different polar metabolites in cell samples in the analysis pose a challenge for cellular metabolomics. In this study, we optimized a metabolomics protocol based on ultra-high-performance liquid chromatography high-resolution mass spectrometry (UPLC/HRMS) for the extraction and detection of metabolites in A549 cells and exploration of the intervention effect of Qi-Yu-San-Long decoction (QYSLD) on A549 cells. The results indicate that the lowest level of ATP leakage was observed when A549 cells were quenched under liquid nitrogen. MeOH/chloroform/H 2 O (1:2:1) extraction yielded more chromatographic peaks and excellent reproducibility, and the relative extraction efficiency of most target metabolites was also high. And we optimized the chromatographic separation conditions in both HILIC and RPLC modes, enabling comprehensive detection and analysis of metabolites with varying polarities. Then, we applied the optimized method to UPLC-Q-TOF/MS-based metabolomics of A549 cells to study the mechanism of QYSLD intervention in non-small cell lung cancer (NSCLC). The CCK-8, EdU staining, and cell cycle assay showed that QYSLD inhibited the proliferation of A549 cells by interfering with the cell cycle and blocking them in the G1 phase. A total of 36 differential metabolites associated with the antitumor effects of QYSLD on NSCLC were identified, mainly involving nicotinate and nicotinamide metabolism, sphingolipid metabolism, and glycerophospholipid metabolism. And western blotting confirmed that the change in 1-methylnicotinamide levels after QYSLD intervention was associated with the inhibition of nicotinamide N-methyltransferase expression in A549 cells. Graphical Abstract
研究领域:
癌症生物学
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药理学
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代谢组学
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细胞生物学
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DOI
PubMed
高影响因子
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