FOOD CHEMISTRY
·
2025
·
IF 9.8
You Long,Yuting Wang,Gan Zhang,Bei Gan,Qiang Yu,Jianhua Xie,Xinyi Zang,Yi Chen
Enniatin and Alternaria mycotoxins have presented adverse effects to food safety and human health, and an accurate, simultaneous analytical method for these mycotoxins was promising. This study reported the synthesis of a magnetic covalent organic framework (NH 2 -Fe 3 O 4 @TpBD-COF) for efficient extraction of seven mycotoxins from wheat, coupled to UPLC-MS/MS for simultaneous quantification. The magnetic solid phase extraction (MSPE) parameters, including adsorbent dose (10 mg), vortex duration (5 min), and extraction/elution solvents (ACN/MeOH, 6/4, v /v), were systematically optimized. Method validation revealed ultra-low limits of quantification (LOQs:0.03 to 0.5 μg kg −1 ), matrix effects (ME<8.49 %), recovery rates(81.3 %–109 %), and precision (RSD < 9.70). The adsorbent maintained satisfactory performance through 8 reuse cycles. Density functional theory (DFT) calculation indicated exergonic adsorption, primarily driven by hydrogen bonding, van der Waals forces, and hydrophobic interactions. The integrated method offers a sensitive and accurate approach for emerging mycotoxin analysis in wheat, potentially mitigating associated health risks.
研究领域:
食品安全
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分析化学
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真菌毒素学
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材料科学
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环境卫生
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DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2025
·
IF 3.8
Xie Baogang,Zhan Dujuan,Wu Le,Wang Lele,Lei Yongrong,Liu Meng,Liu Xiaodan,Li Suping
Congenital heart disease (CHD) poses significant clinical challenges due to limitations in early prenatal diagnosis. This study aimed to identify serum metabolic biomarkers for CHD using a combined metabolomics approach. Serum samples from 55 pregnant women carrying fetuses with confirmed CHD (CHDP group) and 49 healthy controls (ZCP group) were analyzed via non-targeted 1 HNMR metabolomics, revealing distinct metabolic profiles. Six choline pathway metabolites were further quantified by ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). Among these, N,N-dimethylglycine (DMG) exhibited the most significant reduction in the CHDP group (1.07 ± 0.03 vs. 1.55 ± 0.04 µg/mL, p < 0.001), with an area under the ROC curve (AUROC) of 0.883 in the discovery cohort. Validation in an independent cohort (58 CHDP vs. 62 ZCP) confirmed DMG’s diagnostic potential (AUROC = 0.818). While betaine-homocysteine methyltransferase 2 (BHMT2) activity showed no intergroup differences, DMG’s consistent performance highlights its utility as a non-invasive biomarker. This study underscores the clinical value of metabonomics in prenatal CHD screening and establishes DMG as a promising diagnostic marker, potentially improving early detection and perinatal management. Graphical abstract
研究领域:
代谢组学
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儿科心脏病学
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产前诊断
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生物医学研究
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 39
·期 5
·e70055
·
IF 1.7
Nan Guo,Sheng Hu,Yahui Zhang,Wen Zhang,Dejun Li,Yue Tang,Zijian Tai,Xin Guo,Bing Leng
Tigecycline has been widely used for treating infections caused by multidrug resistant bacteria, but the dosage and intrapulmonary distribution were still controversial. In this study, a UPLC–MS/MS method was established and fully validated to quantify tigecycline in human plasma and BALF. A simple and rapid protein precipitation was used to extract the analytes from plasma and BALF samples. Then, tigecycline and IS were separated on a SHIMADZU AQ-C18 column and detected using electrospray ionization positive ion mode using the transitions of m / z 586.3 → 513.2 m / z for TGC and 458.0 → 441.0 m / z for minocycline (IS). The linearity of the calibration was in the range of 20–2000 ng/mL in plasma and BALF. The validated method was successfully applied to investigate pharmacokinetic characteristics of tigecycline in critically ill patients. The results suggested that after intravenous administration of 100-mg q12h tigecycline, the AUC 0–12 was 3663.02 ± 2075.84 ng × h/mL and C ss,av was 305.25 ± 172.99 ng/mL; the average plasma concentration/ELF concentration ratio was 3.66. Significant individual differences and highly variable pharmacokinetic properties were observed, indicating that adjustment of dosing regimens according to therapeutic drug monitoring is effective and efficient to guarantee the drug efficacy and safety especially for critically ill patients.
研究领域:
临床医学
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药理学
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2021
·
IF 7.514
Pei Yu,Yini Yang,Jinyuan Sun,Xiao Jia,Chang Zheng,Qi Zhou,Fenghong Huang
Volatile sulfur-containing compounds (VSCs) provide an important contribution to foods due to their special odors. In this study, VSCs in 21 cold-pressed rapeseed oils (CROs) from 9 regions in China were extracted and separated by headspace solid-phase microextraction combined with gas chromatography coupled with sulfur chemiluminescence detection. 19 VSCs were identified by authentic standards, and the total concentration of VSCs in all CROs ranged from 49.0 to 18129 μg/kg. Dimethyl sulfide (DMS), with its high odor activity value (7–14574), was the most significant aroma contributor to the CROs. Furthermore, S-methylmethionine (SMM) in rapeseed was first affirmed by ultra-performance liquid chromatography–tandem mass spectrometry and isotope quantitation. The positive correlation coefficient between DMS and SMM was 0.793 ( p < 0.05), which confirmed SMM as a crucial precursor of DMS in CROs. This study provided a theoretical basis for selecting rapeseed materials by the distribution of essential VSCs and the source of DMS.
研究领域:
食品科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2019
·Vol. 20
·期 16
·3875
·
IF 4.183
Meng Pan,Qicheng Lei,Ning Zang,Hong Zhang
The discovery of medicinal plants is crucial for drug development.Eucalyptus globulusleaves are used as a traditional medicine in many areas of world due to herbicidal and insecticidal activity. While natural products are difficult to be separated and activity assayed, a new approach is needed to predict the active ingredients therein. In this study, a new method for screening active compounds extracted fromE. globulusleaves was developed by GC-MS/MS and UPLC-MS/MS combined with molecular docking technology. Predicted compounds with high activity were proposed. Firstly, 35 volatile compounds and 34 aqueous extracted compounds were extracted fromE. globulusleaves, and identified by GC-MS/MS and UPLC-MS/MS. The herbicidal receptor (1BX9) was then docked with the identified compounds by docking software, evaluated by docking models and seven scoring functions. The results showed that gallic acid had a strong inhibitory activity of 1BX9, which was speculated to be the main reason for the inhibitory effect ofE. globulusleaves. Finally, allelopathic tests of gallic acid, citric acid, and isopulegol were carried out on grass seeds to verify its inhibitory activity against herbicide receptor 1BX9. The results show that the method can screen compounds with specific activity from a complex system of medicinal plants, which is very important for the screening of new active ingredients, confirmation of new medicinal ingredients, and the in-depth development of animal and plant medicines.Keywords:Eucalyptus globulus;GC-MS/MS;UPLC-MS/MS;molecular docking;allelopathic test
研究领域:
植物化学
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药物开发
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生物信息学
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DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2021
·
IF 3.935
Maoyuan Jiang,Jiliang Cao,Chunbo Zhang,Biru Su,Shengpeng Wang,Na Ning,Ting Lei,Peng Li
Wushe Zhiyang Pills (WZP), a classical traditional Chinese medicine (TCM) formula, has been extensively used for the treatment of chronic urticaria and other relevant dermatologic diseases. In this study, a holistic method combining ultra-performance liquid chromatography coupled with diode array detector (UPLC-DAD) fingerprint and multi-components quantitative analysis was developed and validated for quality evaluation of WZP. As a result, a total of 34 characteristic peaks were screened to assess the chemical similarities of 16 batches of WZP samples. By coupling with a hybrid linear ion trap (LTQ)-Orbitrap mass spectrometer, 163 compounds were identified or tentatively identified in WZP. Furthermore, a rapid quantitative analysis method based on ultra-performance liquid chromatography coupled to tandem mass spectrometry (UPLC-MS/MS) technique was optimized and validated for simultaneously determination of 16 chemical markers within 13 min in WZP. The developed UPLC-MS/MS approach was successfully employed for analysis of 16 batches of WZP samples. The proposed comprehensive method combining holistic chemical profile with notable target compounds has proved to be suitable for the systematical quality evaluation of WZP, which provides a feasible and efficient strategy to monitor the overall quality consistency of TCM formulae.
研究领域:
中药学
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分析化学
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皮肤病学
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DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2016
·
IF 3.169
Weiguo Liao,Jianye Yu,Zhonglin Guo,Wenqiang Ba,Ding Wang,Zhou Li,Wentao Fan,Fengyun Liao,Yinai Wu,Lisheng Wang
A rapid, sensitive and selective ultra-performance liquid chromatography tandem mass spectrometry (UPLC–MS/MS) method has been developed for the simultaneous determination and pharmacokinetic investigation of Tetramethylpyrazine (TMP) and Ferulic acid (FA) in rat striatum. The method was validated over the concentration range of 1.15–505 ng/mL for TMP and 3.23–101 ng/mL for FA, with a lower limit of quantitation (LLOQ) of 1.15 ng/mL and 3.23 ng/mL, respectively. This method can be successfully applied in pharmacokinetic studies of TMP and FA in striatum of awake and anesthetic rats. The cerebral blood flow velocity (CBF) during middle cerebral artery occlusion (MCAO) was monitored by Laser speckle contrast imaging, to observe whether the compatibility of TMP and FA could improve CBF against cerebral ischemia/reperfusion (I/R) injury. Infarct volume was examined to evaluate severity of ischemic brain injury. The pharmacokinetic study indicated that T 1/2, C max, MRT and AUC 0-inf were changed after combined administration of TMP and FA, when compared with either drug alone both in awake and anesthetic groups. The pharmacodynamics results showed that co-administration of drugs could enhance the CBF during middle cerebral artery occlusion and reduced the infarct volume. Taken together, the compatibility treatment of TMP and FA might be a promising therapeutic strategy for ischemic stroke. Further study is required to optimize the compatibility proportion.
研究领域:
药理学
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神经科学
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分析化学
·
中风研究
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DOI
PubMed
高影响因子
Food & Function
·
2019
·Vol. 10
·期 10
·6484-6491
·
IF 3.241
Qiu Wu,Yan Zhao,Xiangnan Zhang,Xingbin Yang
Gut microbiota-dependent metabolites trimethylamine N-oxide (TMAO), trimethylamine (TMA) and dimethylamine (DMA) from dietary methylamines have recently gained much attention due to their high association with chronic kidney disease risk. Hence a simpler and faster performance liquid chromatography-tandem mass spectrometry method was developed and validated. The quantitative analysis was achieved within 6 min by using Agilent 6460C UPLC-MS/MS with 10% methyl alcohol isocratic elution and was more simple, convenient and rapid than that of previously reported methods. Furthermore, method verification results showed that the method correlation coefficient was 0.99978293, 0.99997514 and 0.98784721, and the detection limit was 0.121, 8.063 and 0.797 μg L−1, and the precision of the retention time and peak area of analytes was less than 0.331 and 3.280, respectively. The method was applied to simultaneously determine TMAO, TMA and DMA in the urine and serum from mice treated with normal, high L-carnitine, or high choline diet. Quantitative recoveries of TMAO, TMA and DMA were in the range of 94.2%–101.0%, and the RSD values were lower than 5.17%. The proposed UPLC-MS/MS-based assay should be of value for further evaluating TMAO as a risk marker and for examining the effect of dietary factors on TMAO metabolism.
研究领域:
分析化学
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生物化学
·
代谢组学
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DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
·
2024
·
IF 4.8
Tao Chen,Xian Zhou,Minxing Zhu,Xueting Chen,Dennis Chang,Yifan Lin,Wen Xu,Yanfang Zheng,Shaohua Li,Jianyuan Song,Mingqing Huang
Ethnopharmacological relevance Bronchitis is a respiratory disease characterized by a productive cough. Polygala tenuifolia Willd., commonly known as Yuan zhi , is a traditional Chinese herbal medicine used for relieving cough and removing phlegm. Despite its historical use, studies are lacking on the effectiveness of P. tenuifolia in treating bronchitis. Furthermore, the molecular mechanisms underlying the action of its bioactive compounds remain unknown. Aim of the study This study aims to identify the main bioactive compounds responsible for the effects of P. tenuifolia liquid extract (PLE) in treating bronchitis and to elucidate the associated molecular mechanisms. Materials and Methods The main chemical compounds in PLE were identified and determined using ultra-performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS). The antitussive, expectorant and anti-inflammatory activities of PLE were evaluated in an ammonia-induced mouse cough model, a tracheal phenol red excretion mouse model, and a xylene-induced ear swelling mouse model, respectively. A network pharmacology analysis was conducted to investigate the associated gene targets, gene ontology, and KEGG pathways related to the main bio-actives in PLE targeting bronchitis. PLE and its five bioactive compounds were assessed for their potential anti-inflammatory activities in lipopolysaccharide (LPS)-stimulated RAW264.7 cells. Western blot analysis was conducted to elucidate the associated molecular mechanisms. Results Thirty-seven compounds in PLE were identified, and twelve main compounds were further quantified in PLE using UPLC-MS/MS. PLE oral gavage administrations (0.6 and 0.12 mg/kg) for 7 days markedly reduced cough frequency, prolonged latency period of cough, reduced phlegm and inflammation in mice. The network pharmacology analysis identified 57 gene targets of PLE against bronchitis. The PI3K/AKT and MAPK signalling pathways were the top two modulated pathways. In RAW264.7 cells, PLE (12.5-50 μg/mL) significantly reduced cyclooxygenase-2 (COX-2), inducible nitric oxide synthase (iNOS), interleukin (IL)-1β, IL-6 and tumor necrosis factor (TNF)-α. PLE downregulated LPS-elevated protein targets in both PI3K/AKT and MAPK signaling pathways. In PLE, tenuifolin, polygalaxanthone ⅠⅠⅠ, polygalasaponin ⅩⅩⅤⅢ, tenuifoliside B, and 3,6’-Disinapoyl sucrose, were identified as the top five core components responsible for treating bronchitis. These compounds were also found to modulate the protein targets in the PI3K/AKT and MAPK signalling pathways. Conclusions This study demonstrated the potential therapeutic effects of PLE on bronchitis by reducing cough, phlegm and inflammation. The anti-inflammatory action and molecular mechanisms of the 5 main bioactive compounds in PLE were partly validated through the in vitro assays. The findings provide valuable insights into the mechanisms underlying the traditional use of PLE for bronchitis.
研究领域:
药理学
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中药学
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分子生物学
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分析化学
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产品关联
DOI
PubMed
高影响因子
RSC Advances
·
2026
·Vol. 16
·期 20
·18657-18665
·
IF 6.1
Lu Li,Na Li,Wendan Niu,Aijing Guo,Ling Ma,Wei Zhao,Yawei Zhang,Ke Wang
β-Lactams (β-LAs) are a class of widely used antibiotics. However, their residues in food may pose a threat to human health. Therefore, it is of great necessity to develop a method that can sensitively and effectively detect β-LAs at trace levels in complex matrices. In this study, a novel functionalized magnetic covalent organic framework was synthesized based on biphenyl-3,3′,5,5′-tetracarbaldehyde and p-phenylenediamine. This material was used as an adsorbent for the effective extraction of 9 β-LAs in water and milk samples, which were analyzed by ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). The experimental parameters were optimized, then the sensitive and accurate detection method was developed with excellent linearity (R2 ≥ 0.9990), low limits of detection (0.001–0.347 µg L−1) and limits of quantitation (0.002–1.051 µg L−1) for β-LAs. Meanwhile, good recoveries (71.7–118.8%) of 9 β-LAs in water and milk samples were obtained with the relative standard deviations (RSD) <10% (n = 5). In conclusion, Fe3O4@SiO2@Ap-COF can be regarded as an effective magnetic adsorbent, and the established method holds significant promise for rapid detection of 9 β-LAs in water and milk samples.
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2026
·
IF 10.4
Nan Deng,Hui Wang,Fangping Yin,Xiaobo Hu,Jijun Qin,Feifei Zhong,Ben Li,Wenting Cao,Peng Zhou
This study developed a rapid and sensitive ultra-performance liquid chromatography-tandem triple quadrupole mass spectrometry (UPLC-MS/MS) method to detect adulteration of high-value camellia oil and olive oil with lower-cost sesame, soybean, and peanut oils. Four characteristic markers-sesamin and sesamolin (sesame oil), 4′,7-dimethoxyisoflavone (soybean oil), and sativanone (peanut oil) were identified and quantified with high specificity. Method validation demonstrated excellent linearity ( r > 0.997), recoveries (70%–110%), and precision (RSD < 6.1%). The limits of detection were 0.025%–0.10% for sesame oil, 1.0%–5.0% for soybean oil and peanut oil. Adulteration model experiments and method comparison analysis confirmed reliable multi-component adulteration detection in complex matrices. Analysis of 106 commercial samples revealed adulteration rates of 16.0%(camellia oil) and 25.0%(olive oil), primarily with soybean oil. Notably, the analysis of two law enforcement samples confirmed adulteration with soybean oil, consistent with the official regulatory findings. This approach overcomes limitations of traditional methods, offering a robust tool for safeguarding oil authenticity and consumers' rights.
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DOI
PubMed
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
·
2025
·
IF 11.3
Lingxuan Ma,Fan Nie,Sheng Gong,Yudi Wang,Di Chen,Zijian Wang,Peng Li,Jinchao Wei
Plant growth regulators (PGRs) are extensively deployed in medicinal and edible plants (MEPs) to enhance yields, yet their environmental persistence and potential ecotoxicological effects have raised significant public health concerns. However, current regulatory frameworks remain deficient in PGR-specific residue limits and cross-matrix surveillance tools. Herein, a data modeling-driven broad-spectrum analytical platform was engineered for comprehensive occurrence mapping and dietary exposure assessment of PGRs. Global optimization was achieved through simplex lattice mixture design combined with Derringer’s desirability function, enabling all-inclusive mixed-mode solid-phase extraction (MMSPE) for 64 PGRs (Log K ow −3.80–5.68) across diverse polarity/ionization domains. Integrated with ultra-performance liquid chromatography-triple quadrupole-tandem mass spectrometry (UPLC-QqQ-MS/MS), the MMSPE-UPLC-MS/MS platform facilitated rapid quantification of multi-class PGRs (auxins, cytokinins, gibberellins, brassinosteroids, and growth retardants) in seven MEP matrices. Limits of quantification ranged from 0.016 to 14.392 μg/kg, with average recoveries of 68.93%–118.07% and relative standard deviations of 0.47%–12.88%. Among 140 commercial samples, 30 PGRs were detected (0.07–6392.80 μg/kg), revealing pervasive cross‑matrix contamination and elevated environmental exposure of both endogenous hormones and several synthetic PGRs. Hazard quotient/index-based risk assessments indicated generally acceptable population‑level exposure risk, but highlighted matrix‑dependent risk drivers, with tebuconazole, diuron and paclobutrazol dominating cumulative exposure in specific MEPs. Collectively, this work provided a powerful panoramic screening tool for uncovering cryptic chemical burden in complex herbal matrices, thereby establishing a scientific foundation for prioritizing control lists and refining toxicological benchmarks.
研究领域:
分析化学
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环境科学
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食品安全
·
药学
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毒理学
·
农业化学
·
公共卫生
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产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）