ACS Omega
·
2026
·
IF 5.2
Liwei Zhao,Jianlong Ma,Fengxia Hao,Xuebin Li,Qingqi Feng
As a traditional Chinese medicine, bitter almonds contain amygdalin, which can be hydrolyzed by β-glucosidase to release highly toxic hydrogen cyanide. There are safety hazards in clinical use, and high-temperature pretreatment is required for use. This study is based on the differences in β-GC activity of bitter almonds treated with different pretreatment methods. SPME-GC-MS and UPLC-MS/MS combined techniques were used to analyze the metabolic profile differences before and after processing from both volatile and nonvolatile dimensions. A total of 30 compounds were identified through volatile component analysis, among which terpenoids such as d-limonene and linalool were significantly upregulated during steaming, while benzyl alcohol was significantly downregulated. A total of 199 metabolites were identified through nonvolatile component analysis, and 80 significantly different metabolites were screened. Among them, the number of downregulated substances in steaming (45) far exceeded that in boiling (19) and frying (23), showing a clear trend of substance degradation. Of particular importance is the significant degradation of the cyanide alkaloid prunasin during the processing, resulting in the formation of volatile products such as benzaldehyde and hydrogen cyanide, which confirms the detoxification mechanism of processing at the molecular level. KEGG pathway enrichment analysis revealed that differential metabolites mainly involve 56 pathways such as α linolenic acid metabolism and purine metabolism, constructing a complex metabolic network during the processing.
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PubMed
高影响因子
FOOD CHEMISTRY
·
2026
·
IF 10.4
Rong Bao,Rongting Zhuo,Zhuxiang Zhong,Yan Yang
Antibiotic residues in animal-derived foods raise food safety concerns. This study developed a QuEChERS–UPLC–MS/MS method for the simultaneous detection of multiple antibiotics in animal-derived foods. Key QuEChERS pretreatment parameters were systematically optimized using response surface methodology with a central composite design to identify the optimal extraction solvents, salting-out agents, and clean-up sorbents. Method validation met the requirements of European Commission Implementing Regulation (EU) 2021/808, confirming suitability for rapid determination of 85 antibiotics across diverse food matrices. Analysis of 590 samples detected antibiotic residues in 39.8% of samples, representing 36 different antibiotics. Health risk assessment showed a Hazard Index (HI) < 1, indicating low risk at current consumption levels for the local population. Nevertheless, this high detection frequency highlights the need for continued monitoring of antibiotic residues in animal-derived foods.
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PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2025
·
IF 4
Simin Xu,Wenxia Zheng,You Zeng,Xingguo Tian,Xiaoyan Xu
As a local pig breed, Mi pig (MP) is highly prized by Chinese consumers for its unique flavor and exceptional quality. This study aimed to investigate the differences in volatile profile between MP and commercial crossbred pigs (CP), as well as potential factors contributing to these variations. Results showed that MP had significantly higher intramuscular fat (IMF) content (7.75 %) and unsaturated fatty acid (UFA) content (56.44 %) compared to CP. Utilizing headspace solid-phase microextraction-gas chromatography tandem mass spectrometry (HS-SPME-GC–MS) and lipidomics, 14 volatile compounds and 310 lipids were identified as key factors influencing the flavor differences between the two breeds. Specifically, UFAs produced through glycerophospholipid and glycerolipid metabolic pathways play an essential role in developing the rich MP flavor. Our findings provide valuable insights into the underlying mechanisms responsible for the distinctive flavor of MP, highlighting the role of lipid metabolism in flavor formation.
研究领域:
食品科学
·
动物科学
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PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2024
·Vol. 38
·期 11
·e6011
·
IF 1.8
Kejun Zhang,Haizhou Wang
Huperzine A is a reversible and selective cholinesterase inhibitor and has been approved for the treatment of Alzheimer's diseases. In this study, we developed a highly sensitive and specific ulta-high-performance liquid chromatography–tandem mass spectrometry method for the determination of Huperzine A in rat plasma. An aliquot of 50 μL of rat plasma sample was pretreated with 200 μL of acetonitrile-methanol ( v/v ; 1:1) containing 0.2% formic acid followed by solid phase extraction. The resulting sample was separated on a Waters ACQUITY BEH C 18 column using acetonitrile and water containing 0.2% formic acid as mobile phase, at a flow rate of 0.3 mL/min. Multiple-reaction monitoring (MRM) mode was used for quantitative analysis of Huperzine A in positive electrospray ionization. In the concentration range of 0.01–10 ng/mL, Huperzine A showed excellent linearity with correlation coefficient > 0.998. The intra- and inter-day RSD% were less than 9.7%, while the RE% ranged from −6.7% to 10.0%. The mean recovery was >84.5%. The validated method was demonstrated to be selective, sensitive, and reliable, which has been successfully applied to pharmacokinetic study of Huperzine A in rat plasma. Huperzine A displayed a long half-life in rat plasma and high oral bioavailability.
研究领域:
分析化学
·
药理学
·
神经科学
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PubMed
高影响因子
MICROCHEMICAL JOURNAL
·
2024
·
IF 4.9
Tingting Fan,Xiangwei He,Hengchao E,Yanmei Zhang,Xiaobei Li,Xujiao Li,Xianli Yang,Changyan Zhou,Zhiyong Zhao,Xiaoyan Zhao
Gyromitrin is the main toxic metabolite produced from the false morel such as Gyromitra esculenta , which has a long history of causing food poisoning. However, how to identify the gyromitrin-induced poisoning is difficult because the biomarker of gyromitrin in vivo is still unclear. In this study, a novel isotope-coded method combined with the derivatization strategy was first developed for the accurate quantification of gyromitrin in urine and plasma by ultra-performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS). The major parameters affecting the derivatization efficiency were systematically investigated, and the p-tolualdehyde-d 4 was employed to form the isotope internal standard. The developed method was fully validated with the limit of detection (LOD) of 1 µg/L in urine and plasma. The recoveries were between 88 % and 111 % with the inter-day precision less than 13 %. An exposure study in 12 rats was conducted to determine urinary excretion of gyromitrin and its metabolite monomethylhydrazine (MMH). The mean urinary excretion rates of gyromitrin were 3.45 % (low dose) and 4.93 % (high dose), while the excretion rate of MMH were 0.20 % and 0.36 %. After exposure for 48 h, no gyromitrin and MMH was detected in rat urine. The results suggested that gyromitrin is a valuable biomarker for identification of gyromitrin-induced mushroom poisoning.
研究领域:
毒理学
·
分析化学
·
食品安全
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DOI
高影响因子
ACS Omega
·
2024
·
IF 3.7
Lu Wang,Fengyu Li,Lingtao Meng,Kai Wang,Wenying Li,Fangming Fan,Xiaobing Zhang,Xinyue Jiang,Wei Mu,Xiuyu Pang
During production, agricultural products are often susceptible to potential harm caused by residual traces of pesticides. Oxine-copper is a broad spectrum and efficient protective fungicide widely used in the production of fruits and vegetables. The present study was carried out to profile the dissipation behaviors and residues of oxine-copper on cucumber and watermelon using QuEChERS pretreatment and UPLC–MS/MS. Its storage stability and dietary risk assessment were also estimated. The method validation displayed good linearity (R2 ≥ 0.9980), sensitivity (limits of quantification ≤0.01 mg/kg), and recoveries (75.5–95.8%) with relative standard deviations of 2.27–8.26%. According to first-order kinetics, the half-lives of oxine-copper in cucumber and watermelon were 1.77–2.11 and 3.57–4.68 d, respectively. The terminal residues of oxine-copper in cucumber and watermelon samples were within <0.01–0.264 and <0.01–0.0641 mg/kg, respectively. Based on dietary risk assessment, the estimated long-term dietary risk probability value of oxine-copper in cucumber and watermelon is 64.11%, indicating that long-term consumption of cucumber and watermelon contaminated with oxine-copper would not pose dietary risks to the general population. The results provide scientific guidance for the rational utilization of oxine-copper in field ecosystems of cucumber and watermelon.
研究领域:
农业科学
·
食品安全
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PubMed
高影响因子
ANALYST
·
2024
·
IF 3.6
Yinan Zhang,Guanghui Wang,Yongjian Shao,Pei Zheng,Chunyan Guo,Zhiqun Liu,Lilai Shen,Zhiquan Liu,Jiafeng Ding,Hangjun Zhang
To objectively quantify changes in steroid hormones in organisms caused by adverse environmental loads, we developed a simple and sensitive UPLC–MS/MS (ultra-performance liquid chromatography triple quadrupole mass spectrometry) method for the simultaneous determination of 18 steroid hormones on the HPG axis. This analytical method based on liquid extraction and a multimode electrospray and at-mospheric pressure chemical ionization (ESCi) source, which was optimized by mass spectrometry, liquid phase and pretreatment for the quantification of choles-terol [CH], aldosterone [A], cortisone [E], hydrocortisone [F], 21-deoxycortisol [21-DF], corticosterone [B], 11-deoxycortisol [11-DF], androstenedione [A2], estradiol [E2], estrone [E1], 2-methoxyestradiol [2-MeE2], 21-hydroxyprogesterone [21-OHP], 17-α hydroxyprogesterone [17α-OHP], testosterone [T], dehydroepiandrosterone [DHEA], progesterone [P4], dihydrotestosterone [DHT], and pregnenolone [P5]. The method exhibits linearity in the analyte-concentration range 0.03–1000 μg/mL range (r2 > 0.99), spiked recoveries for the concentration range tested are 76.22%–113.66%, and the relevant parameters of precision are 7.52%–1.14%. Compared to other method, this new method not only uses a small amount of serum (only 100 μL), but also permitted the analysis of the challenging steroids, cholesterol. Furthermore, the method was successfully applied to determination of steroids in Mus musculus, Carassius auratus, Rana catesbiana Shaw, and Rana nigromaculata serum samples from randomly selected individuals. This method may therefore be very useful tool as an efficient analysis method for assessing changes in steroid hormones.
研究领域:
分析化学
·
内分泌学
·
环境科学
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PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2024
·
IF 3.1
Hongjian Kang,Jixia Wang,Yanfang Liu,Feifei Huang,Han Zhou,Xiaomin Xie,Qing Xu,Xinmiao Liang,Xingya Xue
Traditional Chinese medicines (TCMs) are popular in clinic because of their safety and efficacy. They contain abundant natural active compounds, which are important sources of new drug discovery. However, how to efficiently identify active compounds from complex ingredients remains a challenge. In this study, a method combining UHPLC-MS/MS characterization and in silico screening was developed to discover compounds with dopamine D2 receptor (D2R) activity in Stephania epigaea ( S. epigaea ). By combining the compounds identified in S. epigaea by UHPLC-MS/MS with reported compounds, a virtual library of 80 compounds was constructed for in silico screening. Potentially active compounds were chosen based on screening scores and subsequently tested for in vitro activity on a transfected cell line CHO-K1-D2 model using label-free cellular phenotypic assay. Three D2R agonists and five D2R antagonists were identified. (-)-Asimilobine, N -nornuciferine and (-)-roemerine were reported for the first time as D2R agonists, with EC 50 values of 0.35 ± 0.04 μM, 1.37 ± 0.10 μM and 0.82 ± 0.22 μM, respectively. Their target specificity was validated by desensitization and antagonism assay. (-)-Isocorypalmine, (-)-tetrahydropalmatine, (-)-discretine, (+)-corydaline and (-)-roemeroline showed strong antagonistic activity on D2R with IC 50 values of 92 ± 9.9 nM, 1.73 ± 0.13 μM, 0.34 ± 0.02 μM, 2.09 ± 0.22 μM and 0.85 ± 0.08 μM, respectively. Their kinetic binding profiles were characterized using co-stimulation assay and they were both D2R competitive antagonists. We docked these ligands with human D2R crystal structure and analyzed the structure-activity relationship of aporphine-type D2R agonists and protoberberine-type D2R antagonists. These results would help to elucidate the mechanism of action of S. epigaea for its analgesic and sedative efficacy and benefit for D2R drug design. This study demonstrated the potential of integrating UHPLC-MS/MS with in silico and in vitro screening for accelerating the discovery of active compounds from TCMs.
研究领域:
药理学
·
生物信息学
·
中药学
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PubMed
高影响因子
Metabolites
·
2022
·Vol. 12
·期 9
·790
·
IF 5.581
Chengcai Zhang,Yang Jiang,Changzheng Liu,Linyuan Shi,Jintong Li,Yan Zeng,Lanping Guo,Sheng Wang
Fagopyrum dibotrys, being native to southwest China, is widely distributed in Yunnan, Guizhou Provinces and Chongqing City. However, the quality of medicinal materials growing in different origins varies greatly, and cannot meet the market demand for high-qualityF. dibotrys. In this study, 648 metabolites were identified, and phenolic compounds ofF. dibotrysfrom different origins were clearly separated by principal component analysis (PCA). Our results suggested that the medicinal differences ofF. dibotrysfrom different origins can be elucidated via the variations in the abundance of the phenolic and flavonoid compounds. We found that the epicatechin, total flavonoids and total tannin content in Yunnan Qujing (YQ) and Yunnan Kunming (YK) were higher than those in Chongqing Shizhu (CS), Chongqing Fuling (CF) and Guizhou Bijie (GB), suggesting that Yunnan Province can be considered as one of the areas that produce high-quality medicinal materials. Additionally, 1,6-di-O-galloyl-β-D-glucose, 2,3-di-O-galloyl-D-glucose and gallic acid could be used as ideal marker compounds for the quality control ofF. dibotrysfrom different origins caused by metabolites, and theF. dibotrysplanted in Yunnan Province is well worth exploiting.
研究领域:
植物学
·
药理学
·
分析化学
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高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2022
·
IF 3.571
Mingxin Dai,Qian Wang,Shanshan Kou,Xinyu Li,Zhenzhou Jiang,Lixin Sun,Xin Huang
Tryptophan (TRP) metabolism plays a crucial role in pathology and physiology. An imbalance in TRP metabolism has been implicated in the pathology of renal failure. To explore the changes in the TRP profile that occurred in renal failure, we induced experimental models of renal ischemia-reperfusion injury (RIRI) and chronic renal failure (CRF) in rats. A simple, rapid and sensitive method coupling ultra-high-performance liquid chromatography to triple quadrupole mass spectrometry (UPLC-MS/MS) was developed for the simultaneous determination of TRP and its seven major metabolites in plasma. The method was validated base on linearity, accuracy, precision, stability, recovery and the matrix effect. In the RIRI group, the levels of kynurenine (KYN), 5-hydroxyindoleacetic acid (5-HIAA), tryptamine (Trpm) and kynurenic acid (KA) were increased, and the level of TRP was decreased significantly compared with those of sham group. Moreover, the levels of most of the metabolites measured using the proposed method changed significantly with CRF progression. In the CRF group, the levels of KYN, 5-HIAA, Trpm, KA, 3-hydroxyanthranilic acid (3-HAA) and 3-hydroxykynurenine (3-HK) were dramatically elevated, and the level of TRP was markedly reduced compared with those of the CON group. Plasma precursor metabolite/product metabolite ratios were calculated to characterize enzyme activity . Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) of the metabolites were performed for both groups. A Spearman correlation coefficient analysis between the metabolite concentrations and renal injury indicators was performed. We identified KYN, TRP, and 5-HIAA as potential metabolite biomarkers for AKI , and 5-HIAA, TRP, 3-HAA, KA, KYN and 3-HK as potential metabolite biomarkers for CRF (VIP>1 and p < 0.05). These results showed significant changes in the tryptophan metabolism profile under the two types of renal failure. In summary, the results of our study depict the changes in the TRP pathway, reveal the role of the TRP pathway in AKI and CRF, and provide insight into finding potential peripheral biomarkers of renal failure and elucidating the mechanism of diseases related to TRP metabolism disorders .
研究领域:
药理学
·
生物化学
·
肾病学
·
代谢组学
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PubMed
高影响因子
BIOMEDICINE & PHARMACOTHERAPY
·
2018
·
IF 3.457
Yi-jin Wu,Ming-yi Zhao,Jian Wang,Hao Tang,Bin Wang,Feng Xiao,Li-hua Liu,Yun-fang Zhang,Ai-wu Zhou,Chun Wang,Wei Wei
Paeoniflorin-6′- O -benzene sulfonate (code: CP-25), is an active monomer obtained by modifying the structure of paeoniflorin (Pae). CP-25 can alleviate the course of adjuvant arthritis (AA) rats by regulating immune inflammatory response and reducing bone damage. In addition, our research has found that immune cells are important target cells for its anti-inflammatory and immunomodulatory effects. Therefore, it is of great significance to study the pharmacokinetics of CP-25 in immune cells. The aim of this study was to investigate the absorption and efflux of CP-25 in plasma and peripheral blood mononuclear cells (PBMCs) of rats. We established a sensitive ultra-high performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) to rapidly determine CP-25 in plasma and PBMC of rat. We found that the transport amount of CP-25 in PBMC gradually decreased with the increase of time, and reached equilibrium after 1 h. Moreover, there is a certain correlation between the concentration of CP-25 in plasma and the concentration of CP-25 in PBMC. In addition, we used several transporter inhibitors to study their effects on the efflux of CP-25 in PBMC. The efflux of CP-25 in PBMC increased with the increase of time in the first 30 min, and the efflux of CP-25 decreased gradually after 30 min. Furthermore, after multiple administration of 50 mg/kg in rats, concentration of CP-25 in PBMC is similar to the change of concentration of CP-25 in plasma. Our results suggest that CP-25 may enter PBMC by passive transport, and P-glycoprotein (P-gp), multidrug resistance-associated protein 2 (MRP2) and breast cancer resistance protein (BCRP) may be involved in the efflux of CP-25 in PBMC. This research provides a basis and guidance for further study of the clinical application of CP-25.
研究领域:
药理学
·
免疫学
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PubMed
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
·
2022
·
IF 10.753
Zhi-Feng Chen,Ying-Tao Tang,Xiao-Liang Liao,Jie-Ru Jiang,Zenghua Qi,Zongwei Cai
Organophosphate flame retardants (OPFRs) have been widely used in consumer products to prevent fire spread. However, once released into the atmospheric environment, they may accumulate in humans and undergo metabolic transformation and excretion by urine. In order to clarify the human exposure to OPFRs, a quick, easy, cheap, effective, rugged, and safe method for the simultaneous determination of urinary OPFRs and their metabolites by ultra-performance liquid chromatography-tandem triple quadrupole mass spectrometry was developed. After the optimization by a single-factor or orthogonal experiment, the satisfactory recovery (87.8–119%), matrix effect (−8.88–9.29%), method quantitation limit (3.66–159 ng/L), and inter-day repeatability (1.24 − 10.6%) of most analytes were achieved in artificial urine samples. Based on a monitoring test by the developed method, we propose that urinary bis(1-chloro-2-propyl) phosphate and di- p -cresyl phosphate could be used to trace human exposure to tris(1-chloro-2-propyl) phosphate and tricresyl phosphate, respectively. Most importantly, this is the first study to reveal that 4-hydroxyphenyl diphenyl phosphate (4-OH-TPHP) was dominantly presented in its conjugated form rather than its free form in urine ( p = 0.037). Overall, the obtained results contribute a relatively rapid method to help conduct large-scale urine monitoring for revealing the human exposure and risk of OPFRs.
研究领域:
分析化学
·
环境科学
·
毒理学
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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）