MOLECULES
·
2022
·Vol. 27
·期 19
·6530
·
IF 4.927
Rui Li,Yanqing Zhang,Yanhong Li,Zihao Chen,Zhen Wang,Minghua Wang
As a chiral piperidine fungicide, fenpropidin has been widely used to control plant diseases. However, there are rare studies that have investigated fenpropidin at the enantiomer level. In this study, the single-factor analysis combined with a Box-Behnken design was used to obtain the optimal enantio-separation parameters of the fenpropidin enantiomers on ultra-performance liquid chromatography-tandem mass spectrometry. The absolute configuration of two fenpropidin enantiomers was confirmed for the first time using electron circular dichroism and optical activity. On the Lux cellulose-3 column,S-(-)-fenpropidin flowed out beforeR-(+)-fenpropidin. The enantio-separation mechanism was revealed by molecular docking. A modified QuEChERS method was developed for the trace determination of the fenpropidin enantiomers in seven food and environmental substrates. The average recoveries were 71.5–106.1% with the intra-day and inter-day relative standard deviations of 0.3–8.9% and 0.5–8.0%. The method was successfully verified by enantioselective dissipation of fenpropidin in soil under the field.R-(+)-fenpropidin dissipated faster thanS-(-)-fenpropidin, and the half-lives were 19.8 d and 22.4 d. This study established a brand-new effective chiral analysis method for the fenpropidin enantiomers, providing a basis for accurate residue monitoring and the risk assessment of fenpropidin.Keywords:fenpropidin;enantio-separation;absolute configuration;Box-Behnken design;enantioselective dissipation;molecular docking
研究领域:
分析化学
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环境科学
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农药学
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DOI
PubMed
高影响因子
Journal of Immunology Research
·
2020
·
IF 3.327
Yanan Shi,Jingming Xu,Bin Ding,Guiping Chen,Lu Jin,Liang Ke,Xiao Xu,JingXia Wang,Qiuhua Sun,Xiaohong Xu
Constipation, a gastrointestinal function disorder, is one of the side effects of paclitaxel (PTX) chemotherapy. Shenhuang plaster (SHP) application on the Shenque acupoint promotes gut motility in clinical settings. In this study, we elucidated the ingredients in SHP and evaluated its effects on PTX-induced constipation using a tumour-bearing mouse model. SHP was prepared using the traditional Chinese plaster preparation method. The ingredients were analysed using UPLC-MS/MS and identified via screening in a standard drug database. The gastrointestinal transit was evaluated by the movement of a fluorescein-labelled dextran in the gastrointestinal tract. A histological study of the mucosa was carried out after haematoxylin and eosin staining. mRNA expression was assessed using real-time RT-PCR, and the foetal microbiota composition was elucidated through 16 s rDNA sequencing and BLAST analysis. Our results indicate that the application of SHP attenuated weight gain inhibition by PTX; however, no inhibitory effect was observed on tumour growth. PTX-induced sluggish intestine, villus, and mucosal base layer damage were significantly improved following the application of SHP. Further, SHP enhanced the stimulation efficiency of PTX on TLR4 and its downstream cytokines, as well as on IL-1β in intestinal cells. SHP combined with PTX reshaped the microbiota, which showed beneficial effects on health. Hence, these results provide evidence that SHP alleviates PTX-induced constipation and intestinal morphological damage but augments the effects of PTX on the expression of cytokines in the TLR4 pathway and IL-1β. Therefore, we propose that SHP stimulates the host immune response to eradicate cancer cells.
研究领域:
药理学
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肿瘤学
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中医
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胃肠病学
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免疫学
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微生物学
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产品关联
DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
·
2025
·
IF 5.1
Hao Zhou,Jiahao Li,Qi Shan,Cheng Zhao,Feng Xu,Qing Wang,Jiawei Lin,Yi Yin
Acylanilide fungicides are widely used in agricultural and aquaculture, so the determination of their residues is crucial for ensuring the quality and safety of agricultural products. In this work, a molecularly imprinted polymer (MIP) for the selective extraction of acylanilide fungicides was synthesized using oxadixyl as a dummy template, with methacrylic acid and acrylamide as functional monomers. The synthesis conditions were optimized, and the resulting MIP exhibited excellent adsorption capacity (Q ≥ 50.3 mg·g −1 ) and high selectivity (IF > 5.5). The morphology and structure of the MIP were characterized, and its adsorption performance and mechanism were investigated. After optimizing the molecularly imprinted solid-phase extraction (MISPE) procedure, an MISPE-UPLC–MS/MS method was developed for the determination of benalaxyl, furalaxyl, metalaxyl and its metabolite metalaxyl acid in aquatic products. The method demonstrated good linearity ( r > 0.995), and limits of detection and quantification for the four analytes were 0.1–0.3 μg·kg −1 and 0.3–1.0 μg·kg −1 , respectively. Average recoveries of metalaxyl, metalaxyl acid, benalaxyl, and furalaxyl in six aquatic products (grass carp, snakehead, bullfrog, pond loach, dongfeng snail, and red swamp crayfish) were 95.2–103.4 %, 86.7–101.5 %, 94.6–103.7 %, and 92.7–106.9 %, respectively, with relative standard deviations below 11.2 %. This highly sensitive and selective method effectively eliminates matrix interferences from various complex samples, thereby offering a robust strategy for monitoring acylanilide fungicide residues.
研究领域:
分析化学
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环境科学
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食品安全
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农业化学
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水产养殖
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DOI
高影响因子
Biomolecules
·
2025
·Vol. 15
·期 12
·1694
·
IF 4.8
Siyu Huang,Xiaorui Li,Xin Lu,Biao Kan
Polymyxins, including polymyxin B (PMB), are last-resort antibiotics against multidrug-resistant Gram-negative infections in humans and livestock. Residual polymyxins from wastewater and manure can accumulate in soil, facilitating the emergence and spread of polymyxin resistance.Paenibacillus polymyxa, a natural polymyxin producer used in crop cultivation, may increase soil polymyxin burden. Since PMB strongly adsorbs to soil, its reliable quantification has been challenging. To address this, the extraction solvent and solid-phase extraction procedure were optimized to improve recovery and reduce matrix effects. We developed and validated a UPLC-MS/MS method to quantify PMB in soil. The method showed linearity (10–1000 ng/g), with a limit of detection of 0.86 ng/g and a limit of quantification of 2.12 ng/g. Method validation confirmed acceptable analytical performance. A 28-day monitoring of PMB in soil inoculated with varyingP. polymyxadoses revealed a dose-dependent increase over the first 14 days, followed by a decline; PMB remained detectable on day 28. Ecological risk assessment using the risk quotient (RQ) indicated that PMB levels in the high-dose group (2 × 108CFU/100 g) approached the high-risk threshold (RQ ≥ 1) on day 14, while lower doses posed low to medium risk. This work provides a soil PMB quantification method and insight into the ecological risk ofP. polymyxaapplication.
研究领域:
环境科学
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分析化学
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微生物生态学
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抗生素耐药性
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DOI
PubMed
高影响因子
MOLECULES
·
2026
·Vol. 31
·期 9
·1517
·
IF 5.1
Muhammad Junaid Rao,Kangjian Song,Sijiu He,Shirong He,Yuanqiao Li,Ima Mulyama Zainuddin,Yubo Chen,Xinnian Du,Wei Liu,Munsif Ali Shad,Maryam Tahira,Xiande Duan,Bingsong Zheng,Liuyuan Bao,Shunqiang Yang,Mingzheng Duan
Phenolic compounds are vital bioactive constituents in fruits, yet modern strawberry breeding has often reduced their diversity. Here, we employed a multi-omics approach integrating UPLC-MS/MS-based metabolomics and RNA-seq transcriptomics to investigate the divergence in phenolic profiles and their transcriptional regulation between a wild strawberry ( Fragaria nilgerrensis , HM) and three cultivated varieties (white ‘Danxue’ (DX), pink ‘Fenyu’ (FY), and red ‘Red Face 99’ (RF)). The wild HM genotype exhibited higher antioxidant activity and a significantly more complex phenolic profile, dominated by high-abundance galloylated and benzoylated glucosides (e.g., digallic acid methyl ester, salicylic acid-2- O -glucoside) that were largely absent or depleted in cultivated fruits. In contrast, the cultivated varieties displayed specialized yet simplified profiles: DX accumulated hydroxycinnamoyl galactonic acids, FY was enriched in feruloylated glucosides, and RF was characterized by coumaroyl-glucose derivatives. Transcriptomic analysis identified a set of MYB transcription factors (e.g., FxaYL_531g0581170 , FxaYL_642g0175720 ) significantly upregulated in wild HM, with strong correlations to key bioactive phenolics such as 4-hydroxybenzoate and salicylic acid derivatives. These findings illustrate how selective breeding has reshaped phenolic composition through alterations in MYB regulatory networks. The wild strawberry germplasm thus represents a valuable natural reservoir for biofortification strategies aimed at restoring the nutritional and functional quality of modern strawberry cultivars.
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DOI
PubMed
高影响因子
Metabolites
·
2026
·Vol. 16
·期 4
·226
·
IF 4.5
Ziqin Zhang,Sheng Kang,Mi Chen,Mudan Sang,Bingxin Lv,Yaao Pan,Zhenyu Chang
Although the genus Rhododendron is globally distributed and rich in bioactive constituents, the metabolomic landscapes of most species remain unexplored, hampering elucidation of their adaptive strategies and pharmaceutical potential. Objectives: This study sought to construct comprehensive metabolic atlases of four representative yet understudied Rhododendron species—R. triflorum,R. faucium,R. nivale, andR. strigillosum—and to quantify inter-specific metabolic divergence by UPLC-MS/MS-based, widely targeted metabolomics. Methods: The petals of four Rhododendron species were freeze-dried, pulverised, and extracted with 70% methanol (containing an internal standard). Metabolites were separated on an SB-C18 column (2.1 × 100 mm, 1.8 µm) using a 0–95% acetonitrile gradient (flow rate 0.35 mL min−1, 40 °C) and analysed by tandem mass spectrometry. Reliable quantification was ensured by molecular weight database matching, ion source standardisation, and quality control (QC), achieving a coefficient of variation (CV) < 15%. Principal component analysis (PCA) and optimised partial least squares discriminant analysis (OPLS-DA) were performed on standardised data with unit variance. Results: A total of 3705 metabolites were confidently identified, dominated by flavonoids (870), terpenoids (572), phenolic acids (394), and amino-acid derivatives (332). PCA and OPLS-DA models revealed clear species-specific clustering (R2Y ≥ 0.98, Q2≥ 0.95; permutation testp< 0.01). Comparative analysis yielded 1495 significantly differential metabolites;R. triflorumexhibited the highest cumulative abundance, followed byR. faucium,R. nivale, andR. strigillosum.KEGG enrichment highlighted “metabolic pathways” as the most significantly over-represented, together with flavonoid biosynthesis, phenylpropanoid metabolism, and terpenoid backbone biosynthesis. Conclusions: The study delivers the first high-coverage metabolomic reference for four neglected Rhododendron species, evidencing profound inter-specific metabolic differentiation centred on flavonoids, terpenoids, and phenolic acids. The data provide a robust foundation for understanding molecular adaptation to alpine environments and for accelerating targeted drug discovery from Rhododendron resources.
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DOI
高影响因子
Analytical Methods
·
2025
·
IF 2.6
Rongting Zhuo,Rong Bao,Yanzhong Fan,Qi Lin,yan yang
Residues of pharmaceuticals and personal care products (PPCPs) in drinking water pose significant public health risks. To assess these residues in water, this study developed a solid-phase extraction combined with ultra-performance liquid chromatography-tandem mass spectrometry method (SPE-UPLC-MS/MS) for the simultaneous quantitative determination of 98 PPCP residues in drinking water. By optimizing the pretreatment method and analysis conditions, the method exhibits excellent linearity, with all PPCPs showing correlation coefficients (R²) greater than 0.99 within the concentration range of 0-100 μg/L. Recovery rates ranged from 60.7% to 119.0%, and the relative standard deviations (RSDs) below 20%. The limits of detection (LODs) were between 0.034 and 4.001 ng/L. Residues such as amisupride and 1,7-dimethylxanthine were detected in water samples. This method is simple, sensitive, and suitable for high-throughput detection of trace PPCPs in drinking water, providing reliable technical support for water quality monitoring.
研究领域:
环境科学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
Thoracic Cancer
·
2023
·Vol. 14
·期 14
·1276-1285
·
IF 2.9
Shuanghu Wang,Mengming Xia,Yu Wang,Zebei Lu,Peiwu Geng,Dapeng Dai,Yunfang Zhou,Qingjun Wu
Background As a pan-HER tyrosine kinase inhibitor with a promising application prospect, poziotinib is likely to be coadministered with Schisandrins in clinical treatment due to its anticancer activities. Methods Eighteen Sprague–Dawley rats were randomly divided into three groups: Schisandrin A group and Schisandrin B group (20 mg/kg daily for 1 week), and control group (vehicle). On day 8, poziotinib (2 mg/kg) was administered by oral gavage 30 min later. An in vitro study was developed to identify the possible mechanisms of Schisandrins on poziotinib metabolism. All analytes were detected by UPLC/MS–MS, and molecular docking was performed by AutoDock Tools. Results When rats were preadministered with Schisandrin A, AUC (0−∞) and Cmax of poziotinib were obviously increased by 0.79- and 1.17-fold, whereas the Vz/F and CLz/F values were dramatically decreased. The results in Schisandrin B group presented similarly. Both Schisandrin A and Schisandrin B were mixed inhibitors of poziotinib in RLMs, and Schisandrin B showed stronger inhibitory activity with IC 50 values of 2.55 μM for M1 and 6.97 μM for M2. Molecular docking analysis demonstrated that Schisandrin A and Schisandrin B exhibited a strong binding ability towards CYP2D6 as compared to CYP3A4. Conclusion All results provided the direct evidence of the pharmacokinetic drug–drug interactions (DDIs) between Schisandrin and poziotinib. Thus, particular attention should be paid when poziotinib is taken together with Schisandrins in clinical practice.
研究领域:
药理学
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医学
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分析化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
·
2023
·
IF 5.4
Wenxin Wang,Yinting Yu,Huixian Chen,Peijun Sun,Lujie Lu,Shuwei Yan,Xunhong Liu,Tulin Lu,Weidong Li,Jining Liu,Lihong Chen
Ethnopharmacological relevance Honey-processed licorice (HPL) is the roasted product of licorice. It is recorded in the “Shang Han Lun” that licorice has better protection on heart after honey-processed. However, researches regarding its protective effect on the heart and the distribution of HPL in vivo are still limited. Aim of the study To evaluate the cardio-protection of HPL and explore the law of ten main components distribution in vivo under physiological and pathological conditions for an attempt to clarify the pharmacological substance basis of HPL in treating arrhythmia . Materials and methods The adult zebrafish arrhythmia model was established by doxorubicin (DOX). Electrocardiogram (ECG) was used to detect the heart rate changes of zebrafish. SOD and MDA assays were used to evaluate oxidative stress levels in the myocardium. HE staining was used to observe the morphological change of myocardial tissues after HPL treatment. The UPLC-MS/MS was adapted to detect the content of ten main components of HPL in heart, liver, intestine, and brain under normal and heart injury conditions. Results Heart rate of zebrafish was decreased, the SOD activity was attenuated and MDA content was increased in myocardium after administration of DOX. Moreover, tissue vacuolation and inflammatory infiltration were detected in zebrafish myocardium induced by DOX. HPL could ameliorate heart injury and bradycardia induced by DOX to a certain extent by increasing SOD activity and reducing MDA content. In addition, the study of tissue distribution revealed that the content of liquiritin , isoliquiritin, and isoliquiritigenin in the heart was higher in the presence of arrhythmias than those in the normal condition. Under pathological conditions, the heart highly exposed to these three components could elicit anti-arrhythmic effects by regulating immunity and oxidation. Conclusion These findings indicate that the HPL is protective against heart injury induced by DOX, and its effect is associated with the alleviation of oxidative stress and tissue injury. And the cardioprotective effect of HPL under pathological conditions may be related to the high distribution of liquiritin, isoliquiritin, and isoliquiritigenin in heart tissue. This study provides an experimental basis for the cardioprotective effects and tissue distribution of HPL.
研究领域:
药理学
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心脏病学
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民族药理学
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斑马鱼模型
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氧化应激
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组织病理学
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组织分布
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DOI
PubMed
高影响因子
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
·
2023
·
IF 4.1
Kai Huang,Qingyu Wang,Hongdong Song,Hongwei Cao,Xiao Guan
Background Satiety hormone cholecystokinin (CCK) plays an important role in food intake inhibition. Its secretion is regulated by dietary components. The search for bioactive compounds that induce CCK secretion is currently an active area of research. The objective of this study was to evaluate the ability of highland barley protein digest (HBPD) to stimulate CCK secretion in vitro and in vivo and identify the responsible peptide sequences. Results HBPD was prepared by in vitro gastrointestinal digestion model. The peptides with < 1000 Da in HBPD accounted for 82%. HBPD was rich in essential amino acids Leu, Phe and Val, but lack in sulfur amino acids Met and Cys. HBPD treatment with a concentration of 5 mg/mL significantly stimulated CCK secretion from enteroendocrine STC-1 cells ( P < 0.05). Moreover, oral gavage with HBPD in mice significantly increased plasma CCK level. Chromatographic separation was performed to isolate peptide fractions involved in CCK secretion and peptide sequence was determined by UPLC-MS/MS. Two novel cholecystokinin-releasing peptides PDLP and YRIVPL were pointed out for their outstanding CCK secretagogue activity. Conclusion This study demonstrated for the first time that HBPD had an ability to stimulate CCK secretion in vitro and in vivo and determined the bioactive peptides exerting CCK secretagogue activity in HBPD. This article is protected by copyright. All rights reserved.
研究领域:
营养学
·
生物化学
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胃肠病学
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产品关联
DOI
PubMed
高影响因子
Sustainable Chemistry and Pharmacy
·
2022
·
IF 5.464
Xianqiang Chen,Xinyu Chu,Xue Li,Fuliang Cao,Qirong Guo,Jiahong Wang
In this study, a novel method for extraction saponins from Xanthoceras sorbifolium Bunge leaves (XLs) was developed using ultrasonic-assisted ionic liquid combined with in situ alkaline aqueous biphasic systems (UAE-IL-AABS). UAE-IL was firstly used to extract saponins from XLs, followed by removal of the phenolic impurities using in situ IL-AABS. A Box-Behnken Design (BBD) was used to analyze the [C 4 MIM]BF 4 concentration, time, liquid/solid ratio, and power on the saponins yield. Under the optimal conditions with [C 4 MIM]BF 4 concentration 2.3 M, time 19.9 min, liquid/solid ratio 24.9:1 (mL/g), and power 165 W, the saponins yield was 8.17%, which was 11.01% higher than ultrasonic assisted ethanol extraction method. The major compounds in UAE-IL were also identified using UPLC-MS/MS. Moreover, the optimized conditions of IL-AABS with recovery rate of saponins was 96.70%. Finally, a low extraction time, and favorable impurities removal efficiency and recyclability suggested UAE-IL-AABS is greener for production in the food, medicine, and chemical industry.
研究领域:
化学工程
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药学
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食品科学
·
分析化学
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产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2021
·
IF 7.514
Minglong Wang,Haolin Zhang,Lunzhao Yi,Petra Högger,Randolph Arroo,Vivek K. Bajpai,Miguel-Angel Prieto,Jesus Simal-Gandara,Shengpeng Wang,Hui Cao
Though the instability of polyphenols in cell culture experiment has been investigated previously, the underlying mechanism is not completely clear yet. Therefore, in this study, the stability of epigallocatechin gallate (EGCG) in cell culture medium DMEM was investigated at 4 °C and 37 °C via UPLC-MS-MS analysis followed by determination of the antioxidant capacity of EGCG. EGCG was instable in DMEM and formed various degradation products derived from its dimer with increasing incubation time with many isomers being formed at both temperatures. The dimer products were more stable at 4 °C than at 37 °C. The structure and formation mechanism of five products were analyzed with four unidentified. Ascorbic acid significantly improved the stability of EGCG by protecting EGCG from auto-oxidation in DMEM, particularly at 4 °C. The antioxidative activity of EGCG in DMEM was determined by DPPH, ABTS and FRAP assay. The antioxidative properties of EGCG continuously decreased over 8 h in DMEM, which was consistent with its course of degradation.
研究领域:
药理学
·
生物化学
·
细胞生物学
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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）