ULTRASONICS SONOCHEMISTRY
·
2026
·
IF 10.2
Yaru Ji,Xinyue Liu,Mengyang Hou,Shuai Hao,Yangyang Ye,Yu Rao
Large quantities of agri-food by-products arise from citrus processing, creating disposal challenges but also opportunities for valorization. To address this, this study aimed to recover bioactive phenolics from C itrus aurantium leaves (CAL) and to define their composition and bioactivity. First, was screened 16 ionic liquids and identified 1-hexyl-3-methylimidazolium chloride ([C 6 mim]Cl) as the optimal-polarity solvent for phenolic extraction. Building on this, an ionic liquid–ultrasound synergistic extraction (IL–USE) process was developed and optimized using single-factor experiments combined with response surface methodology. Under the optimal conditions (0.35 mol/L [C 6 mim]Cl, liquid-to-solid ratio 27 mL/g, ultrasonic power 280 W, 50 min, 55 °C), the total phenolics yield reached 80.57 ± 0.60 mg/g. Compared with ultrasound-assisted extraction and conventional heat-reflux extraction, IL-USE delivered higher yields. This enhancement was macroscopically reflected in the scanning electron microscopy (SEM) analysis, which revealed more pronounced cell-wall disruption. For downstream enrichment, among five macroporous resins evaluated, HPD-826 performed best, and subsequent optimization of breakthrough and elution parameters afforded a CAL total phenolics (CAL-TP) fraction with 77.45 ± 1.63% purity. Furthermore, UPLC-QTOF-MS/MS tentatively identified 47 constituents, establishing a robust chemical profile of CAL-TP. Functionally, in insulin-resistant HepG2 cells, CAL-TP increased glucose consumption and glycogen synthesis and enhanced hexokinase and pyruvate kinase activities, thereby indicating hypoglycemic potential. Collectively, this study provides a green and efficient process that yields phenolic-rich fractions from CAL with defined composition and promising antidiabetic activity.
✓ 已验证
DOI
PubMed
高影响因子
TALANTA
·
2023
·
IF 6.1
Peixi Zhu,Luxi Zhou,Yuxiu Lin,Yixi Wang,Yu Han,Sheng Cai
In this study, a method for the screening and identification of α-glucosidase inhibitors from natural products was developed. The α-glucosidase was immobilized on carboxyl terminated magnetic beads to form a ligand fishing system to screen the potential inhibitors. A total of 9 compounds were fishing out from the crude Houttuynia cordata Thunb. extract. Meanwhile, ultra-high performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-QTOF MS) was used for the identification of the chemical structures, including 3 chlorogenic acid isomers, 2 flavone C-glycosides and 4 flavone O-glycosides. The combination of enzyme immobilization magnetic beads and UHPLC-QTOF MS could be used for the screening of bioactive multi-components from herbs with appropriate targets. Taking the advantage of the specificity of enzyme binding and the convenience of magnetic separation, the method has great potential for rapid screening of α-glucosidase inhibitors from complicated natural product extracts.
研究领域:
天然产物化学
·
药物筛选
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2023
·
IF 8.8
Shuqin Liu,Yiquan Huang,Yingming Duan,Zhangmin Xiang,Jian Liu,Xi Zhou,Zhiyong Chen
An in vivo solid-phase microextraction (SPME) fiber with high-coverage capture capacity of plant endogenous substances based on the porous covalent triazine framework (CTF) material was developed. The CTF fiber coupled with gas chromatographic quadrupole time-of-flight mass spectrometer (GC-QTOF-MS) analysis was used for monitoring untargeted endogenous metabolites in living Chinese cabbage plants ( Brassica campestris L. ssp. chinensis Makino (var. communis Tsen et Lee)). A total of 100 endogenous substances were identified, mainly including aldehydes, ketones, acids, alcohols, phenols, alkanes, alkenes, esters, isorhodanates, nitriles, as well as indole and its derivatives. Using the in vivo metabolites analysis method, Chinese cabbage plants at different growing stages demonstrated significantly statistical differences in plant metabolism. In addition, metabolic dysregulation of Chinese cabbage plants under fipronil pesticide contamination was observed. To summarize, the proposed approach provides a feasible method to capture metabolic information in living vegetables and for risk assessment of pesticide use during agricultural production.
研究领域:
植物学
·
分析化学
·
环境科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
WATER RESEARCH
·
2016
·
IF 5.991
Wen-Long Wang,Qian-Yuan Wu,Nan Huang,Ting Wang,Hong-Ying Hu
For successful wastewater reclamation, advanced oxidation processes have attracted attention for elimination of emerging contaminants . In this study, the synergistic treatment with UV irradiation and chlorine (UV/chlorine) was used to degrade carbamazepine (CBZ). Neither UV irradiation alone nor chlorination alone could efficiently degraded CBZ. UV/chlorine oxidation showed a significant synergistic effect on CBZ degradation through generation of radical species ( OH and Cl), and this process could be well depicted by pseudo first order kinetic. The degradation rate constants ( k obs,CBZ ) of CBZ increased linearly with increasing UV irradiance and chlorine dosage. The degradation of CBZ by UV/chlorine in acidic solutions was more efficient than that in basic solutions mainly due to the effect of pH on the dissociation of HOCl and OCl − and then on the quantum yields and radical species quenching of UV/chlorine. When pH was increased from 5.5 to 9.5, the rate constants of degradation of CBZ by OH decreased from 0.65 to 0.14 min −1 and that by Cl decreased from 0.40 to 0.11 min −1 . The rate constant for the reaction between Cl and CBZ was 5.6 ± 1.6 × 10 10 M −1 s −1 . Anions of HCO 3 − (1–50 mM) showed moderate inhibition of CBZ degradation by UV/chlorine, while Cl − did not. UV/chlorine could efficiently degrade CBZ in wastewater treatment plant effluent, although the degradation was inhibited by about 30% compared with that in ultrapure water with chlorine dosage of 0.14–0.56 mM. Nine main oxidation products of the CBZ degradation by UV/chlorine were identified using the HPLC-QToF MS/MS. Initial oxidation products arose from hydroxylation, carboxylation and hydrogen atom abstraction of CBZ by OH and Cl, and were then further oxidized to generate acylamino cleavage and decarboxylation products of acridine and acridione.
研究领域:
环境科学
·
水处理
·
化学工程
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2023
·
IF 8.2
Dan Yang,Xin-yu-yao Ding,Hai-Xia Xu,Yu-Xian Guo,Qing-Feng Zhang
Roselle is rich in an extensive diversity of beneficial substances, including phenolic acids, amino acids, anthocyanins, vitamins, and flavonoids. Herein, the chemical constituents in Roselle extract (RE) were identified by UPLC-DAD-QTOF-MS. Besides, its inhibitory effects on three digestive enzymes, i.e. α-amylase, α-glucosidase, and pancreatic lipase, were investigated in both in vitro and in vivo . Thirty-three constituents including hibiscus acid, 18 phenolic acids, 2 anthocyanins and 12 flavonoids were identified. The anthocyanins content in RE was 21.44 ± 0.68 %, while the contents of chlorogenic acids, rutin and quercetin were 17.76 ± 2.28 %, 0.31 ± 0.01 % and 0.32 ± 0.01 %, respectively. RE inhibited pancreatic lipase in a non-competitive way with an IC 50 value of 0.84 mg/mL. Besides, it demonstrated a mixed-type inhibition on both α-glucosidase and α-amylase with IC 50 values of 0.59 mg/mL and 1.93 mg/mL, respectively. Fluorescence quenching assays confirmed the binding of RE to the enzyme proteins. Furthermore, rats pre-treated with RE at doses of 50 and 100 mg/kg body weight (bwt) exhibited significant reductions in fat absorption and improvements in fat excretion through feces. Additionally, the in vivo study revealed that RE was effective in suppressing the increase of blood glucose after starch consumption, while its effects on maltose and sucrose consumption were relatively weak.
研究领域:
药理学
·
营养学
·
生物化学
·
食品科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Natural Product Communications
·
2024
·
IF 1.5
Hui-Peng Song,Ming-Yue Zhao,Zhi-Li Xu,Jia-Nuo Zhang,Wen-Yu Wang,Zi-Xuan Ding,Ying Wang,Li-Bin Zhan,Xi Chen,Ruo-Nan Li,Yue-Hua Chen
ObjectivesThe aim is to discover α-glucosidase/acetylcholinesterase inhibitors as lead compounds from a traditional herbal prescription of Qi-Li-Qiang-Xin capsule (QLQX).MethodsA novel strategy combining time-based fractionation, LC-QTOF-MS, enzymatic activity assay, molecular docking and component-target association analysis was performed to discover α-glucosidase/acetylcholinesterase inhibitors from QLQX. Time-based fractionation combined with enzymatic activity assay was used to find the distribution period of active compounds in the herbal prescription. LC-QTOF-MS was used to analyze the structure of active compounds. Molecular docking was applied to explore the interaction between active compounds and targets.ResultsAccording to time-based fractionation, the active components of QLQX for acetylcholinesterase were primarily concentrated in the highly polar region, whereas the active components for α-glucosidase were predominantly found in the moderately polar area. A total of 33 compounds were identified by comparing with chemical reference substances. Dihydrotanshinone Ⅰ (16.98 µM), hydroxysafflor yellow A (84.57 µM), salvianolic acid A (76.62 µM) and cryptotanshinone (112.68 µM) were identified as acetylcholinesterase inhibitors from QLQX. Similarly, rosmarinic acid (62.29 µM), isochlorogenic acid A (17.95 µM), 4,5-dicaffeoylquinic acid (117.93 µM), danshensu (207.88 µM), salvianolic acid A (1.31 µM), 3,4-dicaffeoylquinic acid (91.71 µM), formononetin (67.26 µM), ginsenoside Rd (3.43 µM), ginsenoside Rb1 (26.37 µM) and ginsenoside F1 (18.79 µM) were discovered as α-glucosidase inhibitors. Notably, salvianolic acid A inhibited both acetylcholinesterase and α-glucosidase. The results of molecular docking indicated that hydrogen bonds, hydrophobic interactions and Pi-Pi T-shaped interactions were crucial for inhibiting acetylcholinesterase. Meanwhile, hydrogen bonds, hydrophobic interactions and Pi-Pi stacked interactions were significant in suppressing α-glucosidase.ConclusionQLQX contains numerous acetylcholinesterase and α-glucosidase inhibitors, demonstrating its potential therapeutic benefits for Alzheimer's disease and diabetes.
研究领域:
药理学
·
中药学
·
药物发现
·
生物化学
·
分子生物学
✓ 已验证
产品关联
DOI
高影响因子
Pharmaceuticals
·
2022
·Vol. 15
·期 9
·1073
·
IF 5.215
Peilin Zhang,Shiru He,Siqi Wu,Yi Li,Huiying Wang,Changyang Yan,Hua Yang,Ping Li
The Danshen-Honghua (DH) herbal pair exhibits a synergistic effect in protecting the cerebrovascular system from ischemia/reperfusion injury, but the therapeutic effect on vascular dementia (VaD) has not been clarified, and the main active ingredient group has not been clarified. In this work, the chemical constituents in DH herbal pair extract were characterized by UHPLC-QTOF MS, and a total of 72 compounds were identified. Moreover, the DH herbal pair alleviated phenylhydrazine (PHZ)-induced thrombosis and improved bisphenol F (BPF)- and ponatinib-induced brain injury in zebrafish. Furthermore, the spectrum-effect relationship between the fingerprint of the DH herbal pair and the antithrombotic and neuroprotective efficacy was analyzed, and 11 chemical components were screened out as the multi-component combination (MCC) against VaD. Among them, the two compounds with the highest content were salvianolic acid B (17.31 ± 0.20 mg/g) and hydroxysafflor yellow A (15.85 ± 0.19 mg/g). Finally, we combined these 11 candidate compounds as the MCC and found that it could improve thrombosis and neuronal injury in three zebrafish models and rat bilateral common carotid artery occlusion (BCCAO) model, which had similar efficacy compared to the DH herbal pair. This study provides research ideas for the treatment of VaD and the clinical application of the DH herbal pair.Keywords:Danshen-Honghua herbal pair;spectrum-effect relationship;multi-component combination;vascular dementia
研究领域:
药理学
·
神经科学
·
中药学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
TALANTA
·
2016
·
IF 4.035
Dan Li,Zhonglian Cao,Xueling Liao,Ping Yang,Li Liu
Paclitaxel is a broad-spectrum anti-cancer drug by targeting microtubulin. However, multidrug resistant (MDR) makes its clinical application more difficult and results in failure of chemotherapy. Tetrandrine as a potential multidrug resistant modulator could be combined with other anti-cancer drugs. In this study, ultra-performance liquid chromatography (UHPLC) combined with quadrupole time-of-flight mass spectrometry (QTOF) was applied to simultaneously qualitative and quantitative analysis of paclitaxel for the pharmacokinetic studies while combined with tetrandrine. This method was developed based on non-target screening mode IDA (Information Dependent Acquisition). As a result, the validated range was 0.25–64 ng/ml (30 µl plasma) for paclitaxel. Totally 33 metabolites of paclitaxel and tetrandine were identified in vivo and in vitro. The main metabolites of PTX were dose-dependent decreased with different amounts of tetrandine co-administration no matter in vivo and in vitro, the exposure of PTX increased in pharmacokinetic study. The verified method is sensitive accurate and effective for the simultaneous determination of paclitaxel and its metabolites in blood, urine and live microsome incubation samples and it was successfully applied to evaluate the pharmacokinetics and drug–drug interaction between paclitaxel and tetrandine. Furthermore, a biosensor technology, surface plasmon resonance (SPR) analysis was applied to preliminary evaluate the competitive protein binding of multiple components. The SPR analysis indicated that the affinity between 6-hydroxy-paclitaxel and micotubulin is similar to that between paclitaxel and micotubulin, and tetrandrine also does not form a competitive combination with paclitaxel. For human, 6-hydroxy-paclitaxel is the one of main metabolites of paclitaxel, so the results suggested that tetrandine has an influence on the metabolite of paclitaxel, but tetrandine and the main metabolites of PTX probably do not affect PTX's biological targeting, the effect of its pharmacological action needs to be further studied.
研究领域:
药理学
·
分析化学
·
肿瘤学
✓ 已验证
DOI
高影响因子
Antioxidants
·
2019
·Vol. 8
·期 8
·274
·
IF 4.52
Lingfeng Wu,Yufeng Liu,Yin Qin,Lu Wang,Zhenqiang Wu
The anti-oxidative phenolic compounds in plant extracts possess multiple pharmacological functions. However, the phenolic characterization and in vitro bio-activities in various parts of raspberry (Rubus idaeusL.) have not been investigated systematically. In the present study, the phenolic profiles of leaves (LE), fruit pulp (FPE), and seed extracts (SE) in raspberry were analyzed by HR-HPLC-ESI-qTOF-MS/MS method, and their antioxidant activities and digestive enzymes inhibitory abilities were also investigated. The molecular docking analysis was used to delineate their inhibition mechanisms toward type II diabetes related digestive enzymes. Regardless of LE, FPE, or SE, 50% methanol was the best solvent for extracting high contents of phenolic compounds, followed by 50% ethanol and 100% methanol. The LE of raspberry displayed the highest total phenolic content (TPC) and total flavonoid content (TFC). A total of nineteen phenolic compounds were identified. The quantitative results showed that gallic acid, ellagic acid, and procyanidin C3 were the major constituents in the three extracts. The various parts extracts of raspberry all exhibited the strong antioxidant activities, especially for LE. Moreover, the powerful inhibitory effects of the three extracts against digestive enzymes (α-glucosidase andα-amylase) were observed. The major phenolic compounds of the three extracts also showed good inhibitory activities of digestive enzyme in a dose-dependent manner. The underlying inhibitory mechanisms of the main phenolic compounds against digestive enzymes were clarified by molecular docking analysis. The present study demonstrated that the various parts of raspberry had strong antioxidant activities and inhibitory effects on digestive enzymes, and can potentially prevent oxidative damage or diabetes-related problems.Keywords:Rubus idaeusL.;phenolic compounds;HPLC-ESI-HR-qTOF-MS/MS;antioxidant activities;digestive enzymes inhibitors;molecular docking analysis
研究领域:
植物化学
·
药理学
·
营养学
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
·
2025
·
IF 5.4
Liting Zhu,Linjie Mu,Xiaoqiu Ni,Feng Wang,Xinyi Peng,Yujiu Gao,Tingting Wei,Congcong Zeng,Yongheng Bai,Fangyan Wang,Zhengzhong Yuan,Jinguo Cheng
Ethnopharmacological relevance Xin-Zi-Sheng-Wan Decoction (XZSWD), a formulation rooted in the classic Zi-Sheng Pill first recorded in the Qing-dynasty compendium “ Golden Mirror of Medicine ,” is traditionally employed to resolve turbid pathogenic stagnation and restore metabolic equilibrium. Modern ethnopharmacological studies reveal a marked uric acid–lowering effect, although its precise molecular mechanisms have yet to be fully clarified. Aim of the study This study aimed to evaluate the therapeutic efficacy of XZSWD in hyperuricemia (HUA)-induced kidney injury and to elucidate its molecular mechanisms. Methods UPLC-QTOF/MS was used to identify compounds in XZSWD medicated serum. A HUA mouse model was induced by potassium oxonate and hypoxanthine to evaluate the therapeutic effects of XZSWD on renal injury. RNA-Seq, qRT-PCR, Western blot, immunofluorescence, and flow cytometry were applied to investigate immune infiltration and key signaling pathways. A THP-1/HK-2 co-culture system combined with SPP1 overexpression and knockdown was used to explore the molecular mechanisms. Results 99 compounds were identified in XZSWDS. XZSWD improved renal function, reduced serum uric acid levels, and downregulated macrophage-related inflammatory genes while modulating mixed M1/M2 polarization. XZSWD also inhibited the SPP1-CD44 axis and downstream SRC/FAK/β-Catenin signaling to reduce renal extracellular matrix (ECM) deposition. In vitro, SPP1 was identified as a critical target mediating these effects. Conclusions XZSWD alleviates HUA-induced renal injury by suppressing macrophage-mediated inflammation via regulation of the SPP1–CD44 axis and SRC/FAK/β-Catenin signaling, highlighting its therapeutic potential for HUA-related renal dysfunction.
研究领域:
民族药理学
·
肾脏病学
·
免疫学
·
信号转导
·
植物化学
·
分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
EUROPEAN JOURNAL OF PHARMACOLOGY
·
2022
·
IF 5.195
Yang Lin,Zi-Yuan Wang,Ma-Jie Wang,Zheng-Meng Jiang,Ya-Qiu Qin,Tian-Qing Huang,Yu Song,Hui-Ting Liang,E-Hu Liu
In this work, we examined whether baicalin (BC), a bioactive flavonoid in Scutellaria baicalensis Georgi, can reduce high-fat diet (HFD)-induced metabolic syndrome (MetS) in mice. The UPLC-QTOF/MS was used for metabolome profiles analysis, and an analysis of bacterial 16S rDNA in feces was used to examine the effects of BC on gut microbiota composition. Our results showed that BC (400 mg/kg) could reduce the body weight gain, decrease hepatic fat accumulation and abnormal blood lipids, and increase insulin sensitivity after 8 weeks of treatment. BC could reverse the alteration of 7 metabolites induced by HFD and the metabolic pathways responsive to BC intervention including citrate cycle, alanine , aspartate and glutamate metabolism, glycerophospholipid metabolism, and aminoacyl-tRNA biosynthesis. 16S rDNA analysis demonstrated that BC altered the composition and function of gut microbiota in MetS mice. Notably, we found that the change in succinic acid was negatively associated with the changes in Bacteroides and Sutterella , and positively associated with the change in Mucispirillum . Moreover, we confirmed that succinic acid displayed a metabolic protective effect on MetS mice. The antibiotic treatment verified that BC exert s metabolic protection through gut microbiota. Our findings suggested BC may be a potential therapeutic drug to ameliorate diet induced MetS and gut microbiome may be a novel mechanistic target of BC for treatment of MetS.
研究领域:
药理学
·
代谢组学
·
微生物学
·
营养学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2017
·
IF 4.529
Lu Zhang,Zong-cai Tu,Xing Xie,Hui Wang,Hao Wang,Zhen-xing Wang,Xiao-mei Sha,Yu Lu
Jackfruit ( Artocarpus heterophyllus Lam.) peel is an underutilized by-product in both, the production and processing of jackfruit . This research compared the antioxidant and hypoglycemic potential of jackfruit peel with jackfruit pulp, flake and seed for the first time. The phytochemical profile of peel extract was characterized with HPLC-QTOF-MS/MS. Results revealed that peel extract exhibited the highest total phenolic and total flavonoid content, and the phenolics was 4.65, 4.12 and 4.95 times higher than that of pulp, flake and seed extract, respectively. The strongest DPPH and ABTS + scavenging ability, α -glucosidase inhibition were also found in peel extract, and the α -glucosidase inhibition was about 11.8-fold of that of acarbose. The HPLC-QTOF-MS/MS analysis led to the tentative identification of 53 compounds, prenylflavonoids, hydroxycinnamic acids and glycosides are the predominant bioactive compounds. Above results reveal promising potential of jackfruit peel as a new source of natural antioxidants and hypoglycemic agents.
研究领域:
食品科学
·
植物化学
·
药理学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）