JOURNAL OF CHROMATOGRAPHY A
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2025
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IF 4
Xijia Zhang,Yingjie Zhuo,Qianqian Xu,Ningning Wang,Hao Zhong,Dongsheng Li,Juanjuan Zhao
Steroid hormones play a crucial role in human physiological functions, and the simultaneous quantification of multiple steroid hormones in biological matrices has considerable clinical relevance. However, the simultaneous quantification of steroid hormones in biological matrices remains analytically challenging due to their ultra-trace concentrations and substantial matrix interference. A novel complementary multi-aptamer strategy was proposed in our study. Multi-aptamer magnetic beads (MA-MBs) were synthesized by simultaneously immobilizing estrogen-specific aptamer (AptE) and corticoid-specific aptamer (AptC) on the magnetic beads. Then MA-MBs was used to extract multiple steroid hormones in biological matrices based on the combined specificity of complementary aptamers. Following extraction, the enriched steroid hormones are quantified using quadrupole time-of-flight liquid chromatography-mass spectrometry (Q-TOF LC-MS). MA-MBs demonstrated a rapid magnetic response (5 seconds), high extraction efficiency, and excellent reusability (at least 10 cycles). Under optimal extraction conditions, the proposed MA-MBs-Q-TOF LC-MS method exhibited a wide linear range (0.02-200 ng/mL), low limits of detection (0.02-1 ng/mL), and high recovery rates (92.93%-104.93%) for 10 types of steroid hormones. Finally, the validated method was applied to quantify ten clinically-relevant steroid hormones in serum samples, demonstrating its potential for advanced endocrine research applications. Furthermore, this study provides a robust platform for multiplexed targets analysis in complex biological matrices.
研究领域:
分析化学
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内分泌学
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生物分析化学
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质谱分析
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分子识别
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DOI
PubMed
高影响因子
Journal of Functional Foods
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2022
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IF 5.223
Yuan Ma,Ailian Meng,Yemei Dai,Huanhuan Yang,Yongli Huang,Xiaocui Liu,Lirong Xian,Xue Yuan
The aim of this study was to investigate the hypoglycemic activity of phenols extracted from Pleioblastus amarus (Keng) shells (PASs), and to isolate and identify the possible components.of which o-coumaric acid, ferulic acid, quercetin-3-0-rhamnoside, and apigenin-7-0-glucoside exhibited a strong affinity with α-glucosidase and were identified as potential The results revealed that, Pleioblastus amarus (Keng) shell phenols (PASP) displayed hypoglycemic activity in vitro, inhibiting α-glucosidase (IC50 = 0.158 ± 0.002 mg/mL) while improving glucose consumption in insulin-resistant (IR) HepG2 cells, as well as the intracellular glycogen content and hexokinase (HK) and pyruvate kinase (PK) activity. Twelve phenolic compounds were detected by UHPLC-Q-TOF-MS, α-glucosidase inhibitors (AGIs). This study suggests that PASs, as a by-product, has the potential to become a new raw material source for hypoglycemic functional food, providing an application prospect for commonly considered waste product.
研究领域:
药理学
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生物化学
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食品科学
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植物化学
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DOI
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2020
·Vol. 34
·期 10
·e4919
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IF 1.728
Xinchi Feng,Kun Wang,Xintong Hu,Liwei Chai,Shijie Cao,Liqin Ding,Feng Qiu
Rhizoma coptidis has been used for a long time in China owing to its anti-bacterial, anti-diabetes, anti-hyperlipidemia and anti-obesity activities. However, the in vivo biotransformation of Rhizoma coptidis is still unclear to date. In this study, a three-step strategy using UPLC-Q-TOF/MS was applied to clarify the in vivo absorbed constituents and metabolites in rats after oral administration of Rhizoma coptidis. First, alkaloids in Rhizoma coptidis extract were identified. Second, six abundant alkaloids (berberine, palmatine, coptisine, epiberberine, jatrorrhizine, and columbamine) were selected as representative prototypes and the metabolic fates of them in rats were investigated to obtain a database of Rhizoma coptidis -derived metabolites. Finally, the metabolic profiles of Rhizoma coptidis were fully elucidated based on the above-mentioned results. In summary, 29 alkaloids were identified in Rhizoma coptidis , and a database of Rhizoma coptidis -derived metabolites was obtained with 144 characterized metabolites. A total of 89 xenobiotics including 12 absorbed constituents and 77 metabolites were identified in dosed rat biosamples. Major metabolic pathways of Rhizoma coptidis were hydroxylation, reduction, methylation, demethylation, demethylenation, desaturation, glucuronidation and sulfation. This is the first systematic study on the in vivo absorbed constituents and metabolic profiling of Rhizoma coptidis and will be beneficial for its further studies.
研究领域:
药理学
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分析化学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
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2021
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IF 10.588
FuKai Li,Min Wang,Jian Zhou,MengRui Yang,TongTong Wang
Novel boronic acid-functionalized magnetic multi-walled carbon nanotubes with flexible branched polymer (Fe 3 O 4 @MWCNTs@ε-PL@BA) nanocomposites were fabricated and applied as the desorption/ionization matrix for the MALDI-TOF-MS determination of low molecular weight flavonoids . The prepared nanocomposite was systematically characterized by various techniques. Compared to the traditional organic matrix, the proposed Fe 3 O 4 @MWCNTs@ε-PL@BA matrix has excellent ionization efficiency and low-background noise interference due to the MWCNTs unique electron-phonon interaction and the high introduction density of boronic acid functional groups. Good sensitivity and ultra-high salt tolerance of the Fe 3 O 4 @MWCNTs@ε-PL@BA-assisted MALDI-TOF-MS were permitted for the determination and quantification of flavonoids in actual samples. Noticeably, the limits of detection (LODs) for the target flavonoids were in the range 17–33 nM. The relative standard deviations (RSDs) of spot-to-spot and sample-to-sample (n = 10) were ≤ 9.8% and ≤ 10.1%, respectively. Furthermore, the wide linear ranges (0.1 – 500 µg/mL) and satisfactory calibration plot coefficients (R 2 > 0.99) of flavonoids were achieved by MALDI-TOF-MS with the Fe 3 O 4 @MWCNTs@ε-PL@BA matrix. Good recoveries (92–105.5%) were achieved for the target flavonoids in practical food samples. Hence, the prepared Fe 3 O 4 @MWCNTs@ε-PL@BA nanocomposites have applications in the selective and efficient capture of target flavonoids active biomolecules coupled with MALDI-TOF-MS determination in actual samples.
研究领域:
分析化学
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材料科学
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生物医学
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DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2021
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IF 3.205
Hua Guo,Yue-Hua Chen,Tian-Min Wang,Ting-Guo Kang,Hui-Yang Sun,Wen-Han Pei,Hui-Peng Song,Hui Zhang
The lack of direct connection between traditional herbal medicines and multiple biological targets is a bottleneck in herbal research and quality evaluation. To solve this problem, a strategy for the discovery of active ingredients from function-similar herbal medicines based on multiple biological targets was proposed in this article. The technical route includes chromatographic separation, mass spectrometry analysis, enzymatic activity detection, pharmacophore analysis and molecular docking. Five citrus herbs of Citri Reticulatae Pericarpium (CRP), Citri Exocarpium Rubrum (CER), Citri Grandis Exocarpium (CGE), Aurantii Fructus Immaturus (AFI) and Aurantii Fructus (AF) were used as the research objects. A total of 136 chemical components were identified from above five herbs based on LC-Q-TOF-MS/MS and database matching. The extracts of the five herbs showed obvious inhibitory effects on α-glucosidase and acetylcholinesterase in a concentration-dependent manner. Interestingly, the different types of components in the herbs exhibited selectivity for different targets: flavanone glycosides are effective on α-glucosidase but ineffective on acetylcholinesterase; polymethoxyflavonoids are effective on acetylcholinesterase but ineffective on α-glucosidase. Furthermore, we found for the first time that the components in citrus herbs exhibit opposite structure-activity relationships on the above two targets. For example, the methoxy group can enhance the activity of compounds on acetylcholinesterase but weaken the activity of compounds on α-glucosidase. The selective action is a supplement to the “multi-components, multi-targets” system of herbal medicines. Pharmacophore analysis and molecular docking were applied to explore the interaction between active ingredients and biological targets from the perspective of ligands and receptors, respectively. By combining the above multiple technologies, a strong connection among herbal medicines, chemical components and multiple biological targets was established. This work not only helps to understand the similar function of citrus herbs for the treatment of diabetes and Alzheimer's disease, but also provides selective lead compounds for the development of related drugs. This strategy is also helpful to improve the quality evaluation of citrus herbs from the perspective of biological activity.
研究领域:
药理学
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分析化学
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中药学
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分子生物学
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药物发现
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产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2023
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IF 6
Li Wan,Hong Wang,Xinyuan Mo,Yueping Wang,Lianping Song,Liangyan Liu,Wenjuan Liang
Primary processing treatments are crucial to the flavor profile of coffee beans, which create the flavor precursors basis in coffee husks and diffuse into the beans, with satisfying outcomes. In this study, eleven coffee husks of Coffea arabica with different primary processing treatments (sun exposure, washing and honey treatment) from three latitudes of Yunnan were investigated by the combination of HS-SPME-GC-MS and PTR-TOF-MS. A total of 114 volatile organic compounds (VOCs) and 77 masses were identified. The characteristic compounds octanoic acid ( S1 ) and methyl linoleate ( S11 ) in sun-exposed, phenethyl alcohol ( F4 ), methyl salicylate ( F7 ), 3,5-dimethylbenzaldehyde ( F9 ) and phytone ( T9 ) in washed and n -hexadecanoic acid ( S9 ) of honey-treated husks were recognized by the ions at m/z 33.032, m/z 68.049, m/z 83.049, m/z 67.054, m/z 57.034, m/z 41.030 and m/z 49.010, respectively. This study demonstrated the feasibility and complementarity of HS-SPME-GC-MS and PTR-TOF-MS in the rapid identification of VOCs in coffee husks. Meanwhile, the antioxidant capacities of the 11 husks were evaluated in vitro , and the sun-exposed samples exhibited most promising potency, in which methyl salicylate ( F7 ), methyl linoleate ( S11 ), methyl linolenate ( S13 ), ethyl linoleate ( S14 ), ethyl linolenate ( S16 ), linalool ( T1 ), citronellol ( T2 ) and caffeine ( J3 ) contributed mainly to the antioxidant capacities.
研究领域:
食品科学
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分析化学
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农业科学
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DOI
高影响因子
JOURNAL OF FOOD AND DRUG ANALYSIS
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2020
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IF 4.727
Li Li,Meng-Lin Fan,Ya-Nan Li,Ya-Xuan Huang,Xiu-Feng Liu,Ji-Hua Liu
Proprotein convertase subtilisin/kexin type 9 (PCSK9) is an attractive target for new cholesterol-lowering drug development. Here, we developed a method integrating ligand fishing, HPLC-Q-TOF-MS and interdisciplinary assay, aiming to explore potential PCSK9 inhibitors from mixtures rapidly and accurately. PCSK9 was expressed and purified firstly, and then the recombined PCSK9 was coated on the surface of magnetic beads (MBs). The PCSK9-immobilized MBs (PCSK9-MBs) were used for ligand fishing combined with HPLC and Q-TOF-MS/MS. Ginkgo biloba leaves (GBL), an herbal medicine widely used in Asia and Europe with good efficacy in treatment of hypercholesterolemia, were chosen as an illustration for ligand fishing. Two PCSK9 ligands were discovered from GBL and identified as kaempferol-3-O-rutinoside (1) and kaempferol 3-O-26″-(6‴-p-coumaroyl) glucosylrhamnoside (KCGR) (2). In order to verify fishing results and pick out more powerful PCSK9 inhibitors, molecular docking assay was further performed and KCGR was optimized to be an excellent PCSK9 inhibitor by the confirmation of affinity and activity bioassay. These results suggested that the developed approach could be applied to screen and analysis potential bioactive constituents from mixtures, which may improve the efficiency of drug discovery. Moreover, KCGR separated from GBL was expected to be a potential candidate of PCSK9 inhibitors.
研究领域:
药理学
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分析化学
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分子生物学
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药物发现
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2021
·
IF 7.514
Xizhe Fu,Tarun Belwal,Yihan He,Yanqun Xu,Li Li,Zisheng Luo
Natural deep eutectic solvent (NADES) has received increasing interest as a green alternative to traditional organic solvents for efficient extraction of bioactive compounds from natural sources. In this study, phytochemicals in Carya cathayensis Sarg. peels extracted with Choline chloride-Malic acid (ChCl-MA) were identified using UPLC-Triple-TOF/MS. Effect of NADES on phenolic composition, antioxidant properties and inhibition of α-glucosidase and α-amylase were evaluated. Furthermore, extraction mechanism caused by different solvents were investigated by quantum chemical calculation combined with molecular dynamic simulation. A total of 29 phytochemicals were identified, and catechin, procyanidin B1, 2,3-dihydroxybenzoic acid, pinocembrin, procyanidin B3, myricetrin were the most abundant compounds. The extract using ChCl-MA exhibited the highest phenolic compounds content, antioxidant capacity, and α-glucosidase and α-amylase inhibition activities. Larger solvent accessible surface area, more hydrogen bonds between ChCl-MA and extract, longer lifetime of the hydrogen bonds, and lower intermolecular interaction energy account for higher extraction efficiency of ChCl-MA.
研究领域:
植物化学
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食品科学
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分析化学
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DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2018
·
IF 2.831
Yi Tao,Surun Huang,Xianghui Gu,Weidong Li,Baochang Cai
Alkaline phosphatase conjugated magnetic microspheres were synthesized via amide reaction, and employed as an effective adsorbent in affinity selection of binding ligands followed by UHPLC-Q-TOF/MS analysis. The analytical validity of the developed approach was evaluated under optimized conditions and the following figures of merit were obtained: linearity, 0.01–0.5 g L −1 with good determination coefficients (R 2 = 0.9992); limits of detection (LODs), 0.003 g L −1 ; and limits of quantitation (LOQ), 0.01 g L −1 . The precision (RSD%) of the proposed affinity selection approach was studied based on intra-day (0.8%) and inter-day (1.3%) precisions. Finally, the adsorbent was successfully applied to identification of binding ligands in Li-Dan-Hua-Shi pills and good recoveries were obtained in the range from 96.9 to 99.4% (RSDs 1.6–3.0%).
研究领域:
药学
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分析化学
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中药学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2022
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IF 3.571
Yan Su,Lin Tao,Xiaoli Zhang,Xianjie Sheng,Qin Li,Wenying Fei,Tao Yin,An Kang,Jiye Aa,Guangji Wang
Dalitong Granules , a potent gastrointestinal motility promoting traditional Chinese medicine, is used to treat functional dyspepsia clinically. It shows good effect on alleviating gastrointestinal motility disorders and has a broad prospect of clinical application. However, there is no comprehensive study on its in vivo and in vitro chemical analysis. UPLC-Q-TOF-MS combined with the non-targeted characteristic filter analysis and in silico prediction strategies (NCFS) were used to deduce and identify the chemical components and in vivo metabolites in the bio-samples of rats following oral administration of Dalitong Granules . In this study, 108 chemical components were identified in Dalitong granules , including 50 flavonoids, 22 alkaloids, 13 terpenes, 11 organic acids, 10 coumarins and 2 volatile oils. In the plasma, tissue, urine and fecal samples of rats after administration of Dalitong granules , a total of 147 compounds were speculated (60 prototype compounds and 87 metabolites). The main metabolic pathways in vivo include methylation, demethylation, deglycosylation, hydrogenation, hydroxylation, sulfonation and glucuronidation as there are many flavonoids existing in Dalitong Granules . In conclusion, the chemical components and metabolites of Dalitong Granules were comprehensively identified by using a rapid and accurate analysis method, which laid a foundation for dissecting its bioactive substances. In addition, it provides a scientific basis for the in-depth study of the material basis of Dalitong Granules efficacy and its further comprehensive development and utilization.
研究领域:
药理学
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分析化学
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中药学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
MOLECULES
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2019
·Vol. 24
·期 13
·2380
·
IF 3.06
Dongshuai Shen,Ning Ma,Yajun Yang,Xiwang Liu,Zhe Qin,Shihong Li,Zenghua Jiao,Xiaojun Kong,Jianyong Li
Aspirin eugenol ester (AEE) is a novel compound that is formed from the esterification of aspirin (acetylsalicylic acid (ASA)) and eugenol. This study aimed to investigate the effects of AEE on blood stasis in rats and to characterize the underlying mechanisms using a plasma metabolomic study. The results indicate that AEE and ASA could modulate whole blood viscosity (WBV), plasma viscosity (PV), blood coagulation parameters, platelet count, platelet aggregation, lactate dehydrogenase (LDH), creatinine (CR) and the levels of thromboxane A2 (TXA2) and 6-keto prostaglandin F1α (6-keto-PGF1α). The metabolic profiles of the plasma samples from all groups were clearly separated in the score plots. Nineteen potential metabolites were selected and identified, and disordered levels of these metabolites could be regulated by AEE and ASA. Pathway analysis showed that the mechanism of action of AEE on blood stasis might be principally related to the metabolism of amino acid, fatty acid, energy and glycerophospholipid. The above results indicate that AEE protected the rats against blood stasis, and that this effect might have been caused by the anticoagulation activity of AEE and its abilities to maintain a balance between TXA2and PGI2, reduce blood viscosity, inhibit platelet aggregation and normalize the plasma metabolic profile.Keywords:blood stasis;AEE;aspirin;metabolomics;UPLC-Q-TOF/MS
研究领域:
药理学
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代谢组学
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药物化学
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血液学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2024
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IF 5.7
Jia-Nuo Zhang,Zhi-Dong Pei,Wen-Yu Wang,Ming-Yue Zhao,Wen-Han Pei,Hui Zhang,Hai-Bo Yin,Tian-Min Wang,Gui-Zhong Xin,Ming Xie,Ting-Guo Kang,Yue-Hua Chen,Hui-Peng Song
Zanthoxyli radix is a popular tea among the elderly, and it is believed to have a positive effect on Alzheimer’s disease. In this study, a highly effective three-step strategy was proposed for comprehensive analysis of the active components and biological functions of Zanthoxylum nitidum (ZN), including high-resolution LC-Q-TOF mass spectrometry (HRMS), multivariate statistical analysis for heterogeneity (MSAH), and experimental and virtual screening for bioactivity analysis (EVBA). A total of 117 compounds were identified from the root, stem, and leaf of ZN through HRMS. Bioactivity assays showed that the order of acetylcholinesterase (AChE) inhibitory activity from strong to weak was root > stem > leaf. Nitidine, chelerythrine, and sanguinarine were found to be the main differential components of root, stem, and leaf by OPLS-DA. The IC50 values of the three compounds are 0.81 ± 0.02, 0.14 ± 0.01, and 0.48 ± 0.01 μM respectively, indicating that they are potent and high-quality AChE inhibitors. Molecular docking showed that pi-pi T-shaped interactions and pi-lone pairs played important roles in AChE inhibition. This study not only explains the biological function of Zanthoxyli radix in alleviating Alzheimer’s disease to some extent, but also lays the foundation for the development of stem and leaf of ZN.
研究领域:
药理学
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分析化学
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神经科学
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植物科学
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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）