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INDUSTRIAL CROPS AND PRODUCTS · 2016 · IF 3.449

Antihyperglycemic, antioxidant activities of two Acer palmatum cultivars, and identification of phenolics profile by UPLC-QTOF-MS/MS: New natural sources of functional constituents

Lu Zhang,Zong-cai Tu,Xing Xie,Yu Lu,Zhen-xing Wang,Hui Wang,Xiao-mei Sha

This research aimed to compare the antihyperglycemic and antioxidant abilities, and to characterize the bioactive constituents of two Acer palmatum cultivars, Acer palmatum ‘ Atropurpureum ’ (APA) and Acer palmatum Thunb (APT). Dry materials were respectively extracted with 70% and 90% methanol, followed by sequentially fractionation with ethyl acetate and n -butanol. The phytochemical profile of selected fraction was determined by using UPLC-QTOF-MS/MS. APT is a better source of natural antioxidants and α- glucosidase inhibitors than APA due to its higher total phenolic content (TPC), and stronger antioxidant and α- glucosidase inhibitory activities. The highest total phenolic and total flavonoid content were found in the ethyl acetate fraction (EAF) of 90% methanol extract of APT (468.49   mg GAE/g Extract) and 70% methanol extract of APA (142.60   mg QuE/g Extract), respectively. The EAF of 70% methanol extract of APT gave the strongest DPPH· scavenging ability, ABTS + · scavenging ability and α- glucosidase inhibitory, with the IC 50 values of 7.06, 4.18 and 1.99   μg/mL, respectively. The latter two were much higher than that of individual positive control. HPLC analysis revealed similar phytochemical profiles of all EAFs. Twenty-five compounds, including 3 organic acids, 5 phenolic acids, 8 tannins, 7 flavonoids and 2 proanthocyanidins, were identified or tentatively identified from APT, with tannins and flavonoid glucosides as the major active compounds. The results indicated a strong potential of Acer palmatum as a natural source of excellent antioxidants and antihyperglycemic compounds in the prevention and treatment of type II diabetes and its complication.

研究领域: 植物学 · 药理学 · 代谢疾病研究
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JOURNAL OF FOOD BIOCHEMISTRY · 2025 ·Vol. 2025 ·期 1 ·8616106 · IF 4.2

Chemical Characterization of Rheum tanguticum Petiole Juice via Membrane Filtration: A Comparative Analysis Using UPLC–QTOF–MS–MS and Network Pharmacology

Chen Chen,Zengrong Ye,Jianan Li,Na Liu,Bo Wang,Guoying Zhou

Rheum tanguticum ​ petiole juice, widely consumed in Tibet as both a vegetable and an herb, exhibits varying chemical compositions depending on the production methods. This study aims to identify the bioactive components in raw juice using ultra-performance liquid chromatography–quadrupole time-of-flight tandem mass spectrometry (UPLC–QTOF–MS–MS) and analyze their antidiabetic properties through network pharmacology. In addition, the effects of the three types of membrane clarification were evaluated. A total of 36 compounds were identified, and a components–targets–pathways–disease network was constructed for diabetes treatment. Among the membranes tested, the 0.2 μm microfiltration membrane exhibited the highest permeate flux and retained significant amounts of total flavonoids, phenolics, and proanthocyanidins, making it the optimal choice for juice clarification. These findings lay the groundwork for the industrial processing and utilization of R . tanguticum petiole juice in China.

研究领域: 植物化学 · 分析化学 · 药理学 · 食品科学 · 膜技术 · 糖尿病研究
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MICROCHEMICAL JOURNAL · 2024 · IF 4.9

Rapid screening of potential α-glucosidase inhibitors from the waste leaves of Rheum tanguticum by activity-oriented extraction and enrichment optimization, UPLC-QTOF-MS/MS, molecular docking and in vitro validation

Weihang Lu,Tao Chen,Cheng Shen,Denglang Zou,Juyuan Luo,Shuo Wang,Zhibo Song,Jing Jia,Yulin Li

In the present study, an efficient strategy has been established for rapid screening of potential α-glucosidase inhibitors from the waste leaves of Rheum tanguticum by activity-oriented extraction and enrichment optimization, UPLC-QTOF-MS/MS, molecular docking, and in vitro validation. With α-glucosidase inhibitory activity as the evaluation index, the extraction process was optimized by response surface methodology and the enrichment process by macroporous resins was optimized by adsorption and desorption experiments. The active flavonoids yield was 8.85 mg/g under the optimized extraction conditions. After AB-8 macroporous resins enrichment, the active flavonoids purity increased from 2.89 % to 47.6 %, a 17-fold increase, while the IC 50 of α-glucosidase reduced from 13.97 mg/mL to 412 μg/mL, a 33.9-fold reduction. Thirty-six flavonoids in the active flavonoids fraction were identified by UPLC-QTOF-MS/MS. Molecular docking screening, in vitro activity assay and multispectral approaches verification confirmed the potential of six flavonoids as novel α-glucosidase inhibitors.

研究领域: 药理学 · 分析化学 · 分子生物学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2020 · IF 4.006

Separation, UPLC-QTOF-MS/MS analysis, and antioxidant activity of hydrolyzable tannins from water caltrop (Trapa quadrispinosa) pericarps

Xianrui Liang,Yan Jiang,Zili Guo,Sheng Fang

Trapa quadrispinosa , commonly known as water caltrop, has long been consumed as a food in Asian countries and its pericarp is discarded as waste after the fruit is harvested. In this study, a reliable method was established using UPLC-QTOF-MS/MS to identify the main compounds in Trapa quadrispinosa pericarps (TQP). The UPLC parameters including column, mobile phase, and temperature were optimized. The extraction parameters including solvents, temperatures and solid-to-liquid ratios were also optimized. A total of 35 compounds were tentatively assigned. The QTOF-MS/MS fragmentation pathways of these compounds were proposed. The most abundant compound (1,2,3,6-tetra-O-galloyl- β - d -glucose) was further purified by a semi-preparative HPLC and confirmed by 1 H- and 13 C-NMR. Hydrolyzable tannins (gallotannins and ellagitannins) consisting of almost 90% polyphenols were obtained from the TQP extracts. Three of the main hydrolyzable tannins were 1,2,3,6-tetra-O-galloyl- β - d -glucose, tri-O-galloyl-hexahydroxydiphenoyl- d -glucose, and tri-O-galloyl- d -glucose. The TQP extracts exhibited better antioxidant activity in the DPPH assay than that of the ascorbic acid standard. This study provides valuable information for the utilization of TQP as an alternative source of plant-derived antioxidants.

CAS / MDL: 64-18-6
研究领域: 分析化学 · 植物化学 · 食品科学 · 药理学
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Analytical Methods · 2020 ·Vol. 12 ·期 37 ·4562-4571 · IF 2.596

Metabolic profiling of rats poisoned with paraquat and treated with Xuebijing using a UPLC-QTOF-MS/MS metabolomics approach

Wen Liu,Sha Li,Yang Ke Wu,Xiao Yan,Yi Ming Zhu,Fei Ya Jiang,Yu Jiang,Liang Hong Zou,Tong Tong Wang

Xuebijing (XBJ) is a compound Chinese medicine that contains Paeoniae Radix Rubra, ChuanXiong Rhizoma, Salvia Miltiorrhiza Radix et Rhizoma, Carthami Flos, and Angelicae Sinensis Radix. It is widely used in China to treat sepsis. Previous studies have demonstrated that XBJ can decrease mortality in patients with moderate paraquat poisoning. However, the mechanism by which it exerts this effect is not completely clear. In this study, an ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS/MS)-based metabolomics approach was used to perform a metabolic profiling analysis. Principal component analysis (PCA), random forest (RF), and partial least squares discriminant analysis (PLS-DA) were used to identify metabolites to clarify the mechanism of XBJ's activity. XBJ clearly alleviated lung injury in a Sprague Dawley (SD) rat model of paraquat (PQ) poisoning. Seven metabolites related to four pathways, including those involved in sphingolipid and phospholipid metabolism, amino acid metabolism, unsaturated fatty acid metabolism, and pantothenic acid and CoA biosynthesis, were present at different levels in PQ-poisoned rats treated with XBJ compared with untreated rats. XBJ can ameliorate the effects of PQ poisoning in SD rats. Using a metabolomics approach enabled us to gain new insight into the mechanism underlying this effect.

CAS / MDL: 64-18-6
研究领域: 药理学 · 毒理学 · 代谢组学
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Food Chemistry-X · 2026 · IF 9.2

An innovative strategy coupling cluster fraction with ultrafiltration UPLC-QTOF-MS/MS for screening α-glucosidase inhibitors from barley seedlings

Changdong Lin,Juyuan Luo,Shuo Wang,Cheng Shen,Shucan Zhang,Yongling Liu,Zhibo Song,Yumei Ma,Tao Chen,Yulin Li

Affinity ultrafiltration is widely used for rapid, targeted screening of bioactive natural compounds, but high-abundance components in complex matrices often mask low-abundance yet potent inhibitors, reducing sensitivity. Here, barley seedling extracts were preprocessed via HPLC peak-area clustering before affinity ultrafiltration to identify α-glucosidase inhibitors. This “clustering-prior-to-ultrafiltration” strategy enabled the discovery of four additional low-abundance inhibitors overlooked by direct ultrafiltration. These compounds exhibited stronger inhibitory activity (IC 50 : 217.75–583.35 μg/mL) than the three high-abundance components (IC 50 : 707.05–1044.95 μg/mL). Enzyme kinetics, spectroscopy, molecular docking, and dynamic simulations revealed their binding mechanisms. This approach enhances screening sensitivity and provides a basis for developing functional foods.

CAS / MDL: 67-68-5 7558-80-7
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2022 · IF 3.571

Effects of sulfur-fumigated ginseng on the global quality of Si-Jun-Zi decoction, a traditional ginseng-containing multi-herb prescription, evaluated by metabolomics and glycomics strategies

Hui Liu,Si-Yu Wang,Jin-Hao Zhu,Jin-Di Xu,Shan-Shan Zhou,Ming Kong,Qian Mao,Song-Lin Li,He Zhu

Si-Jun-Zi decoction (SJZD) with ginseng as the principal medicinal herb is a traditional Chinese Medicine multi-herb prescription that commonly employed to treat colorectal cancer etc. Previous studies showed that nearly half of the commercial ginseng was sulfur-fumigated, one of the postharvest processing methods that commonly causes sulfur-dioxide (SO 2 ) residue and chemical composition transformation in medical herbs. In this study, the effect of sulfur-fumigated ginseng on global quality of SJZD was evaluated by UPLC-QTOF-MS/MS based metabolomics and multiple chromatographic techniques based glycomics strategies. For non-saccharides components, sulfur-fumigated ginseng led to the emergence of sulfur-containing derivatives and alteration of saponins and flavonoids in SJZD. For saccharide components, sulfur-fumigated ginseng decreased the total contents and molecular weights of polysaccharides , changed the monosaccharide composition of polysaccharides, and increased the contents of oligosaccharides and free monosaccharides of SJZD. The alterations of SJZD were aggravated with the sulfur-fumigated content of ginseng. Those phenomena might be attributed to 1) sulfur-fumigation caused the generation of sulfur-containing derivatives in ginseng, which further transferred to SJZD, and 2) sulfur-fumigation caused the residue of SO 2 in ginseng, which reduced the pH value and further changed the dissolution of saponins and flavonoids and accelerated the degradation of the polysaccharides to oligosaccharides and/or monosaccharides in SJZD. Furthermore, although storage reduced the SO 2 residue in sulfur-fumigated ginseng, it couldn’t recover the alterations of chemical profiles in SJZD. In conclusion, sulfur-fumigated ginseng altered the global quality of SJZD, which promoted that extra attention must be paid during the application of herbal formulas that containing sulfur-fumigated herbs.

CAS / MDL: 56570-89-9
研究领域: 中医 · 药理学 · 代谢组学 · 糖组学 · 草药
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ULTRASONICS SONOCHEMISTRY · 2026 · IF 10.2

Upcycling Citrus aurantium leaf by‑products into bioactive phenolics: Ionic liquid-ultrasound synergy for green extraction, UPLC-QTOF-MS/MS profiling, and hypoglycemic activity

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.

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INDUSTRIAL CROPS AND PRODUCTS · 2022 · IF 6.449

Accumulation patterns of major bioactive components in two chemotypes of Agastache rugosa during flower development evaluated by GC-QQQ-MS/MS and UPLC-QTOF-MS/MS analyses

Hui-Dan Hou,Cheng-Ying Wu,Jing Zhou,Fang Long,Hong Shen,Jin-Di Xu,Shan-Shan Zhou,Qian Mao,Ying-Jie Wei,Song-Lin Li

Agastache rugosa (AR) is a wildly cultivated medicinal and aromatic crop, which usually recommended to be harvested when the plant is exuberant with not flowering or in full flower stage. But there is no scientific basis for the support of the cognition. Therefore, the accumulation patterns of major active components during flower development (inflorescences with buds, full bloom and after full bloom stages) in two chemotypes (menthone type and estragole type) of AR were investigated by newly developed GC–QQQ–MS/MS and UPLC–QTOF–MS/MS methods. Five volatile (pulegone, menthone , estragole, methyleugenol and β -caryophyllene) and nine non-volatile components (rosmarinic acid, tilianin, acacetin 7- O -(6"- O -malonyl)- β - D -glucopyranoside, apigenin , agastachoside, isoagastachoside, acacetin 7- O -(2"- O -acetyl-6"- O -malonyl)- β - D -glucopyranoside, cirsimaritin and acacetin) in two chemotypes of AR samples at three stages were simultaneously quantified. It was found that the relatively higher contents of main volatile components were present in menthone type of AR collected at the full flower stage and in estragole type of AR at the after full bloom stage, whereas the relatively higher contents of main non-volatile components were present in menthone type of AR collected at the inflorescences with buds stage and in estragole type of AR at the after full bloom stage. Considering major active volatile and non-volatile components with higher levels, full bloom stage and after full bloom stage should be optimal harvesting time for menthone type and estragole type of AR, respectively.

CAS / MDL: 110-54-3 91-20-3
研究领域: 植物学 · 药理学 · 分析化学
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Food & Function · 2020 ·Vol. 11 ·期 11 ·9740-9751 · IF 4.171

Similar hypoglycemic effects of glucomannan and its enzyme degraded products from Amorphophallus albus on type 2 diabetes mellitus in mice and potential mechanisms

Cheng-Ying Wu,Jing Zhou,Fang Long,Wei Zhang,Hong Shen,He Zhu,Jin-Di Xu,Song-Lin Li

In the present study, the hypoglycemic effects of glucomannan (AGM) and its enzyme-degraded products from Amorphophallus albus were investigated. Four degraded products were prepared through ultrafiltration of β-glucanase-degraded products of AGM. The hypoglycemic activities were evaluated in HFD-STZ-induced type 2 diabetes mellitus (T2DM) mice, and the diversity of gut bacteria was analyzed by 16S rRNA gene sequencing; the fecal short chain fatty acids (SCFAs) and endogenous metabolites were determined by UPLC-QTOF-MS/MS. It was found that AGM and its enzyme-degraded products, though with different molecular weights, had similar β-glycosidic bonds and monosaccharide compositions, exerted similar strength of hypoglycemic effects, and reinstated with a similar extent the disordered gut microbiota and the contents of SCFAs and endogenous metabolites. It was speculated that the hypoglycemic activity of AGM is decided by not the molecular weight but the glycosidic bonds/monosaccharide composition of AGM, which might be structurally specific to the gut bacteria, and thus certain SCFAs and endogenous metabolites that are related to the occurrence and therapy of T2DM. This study provides a scientific basis for using AGM as potential prebiotics beneficial for prevention or therapeutic treatment of T2DM.

CAS / MDL: 76-05-1
研究领域: 营养学 · 药理学 · 微生物学 · 代谢组学 · 糖尿病研究
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MOLECULES · 2022 ·Vol. 27 ·期 22 ·7683 · IF 4.927

Integrating Multi-Type Component Determination and Anti-Oxidant/-Inflammatory Assay to Evaluate the Impact of Pre-Molting Washing on the Quality and Bioactivity of Cicadae Periostracum

Meng-Fei Guo,Huan-Huan Zhang,Ping Zhong,Jin-Di Xu,Shan-Shan Zhou,Fang Long,Ming Kong,Qian Mao,Song-Lin Li

Cicadae Periostracum (CP) is a traditional Chinese medicinal herb derived from the slough that is molted from the nymph of the insectCryptotympana pustulataFabricius. Washing with water to remove residual silt is a primary processing method of CP that is recommended by the Chinese Pharmacopoeia, but how washing methods affect the quality and bioactivity of CP is unknown. In this study, the quality and bioactivity of non-washed CP (CP-NW), post-molting-washed CP (CP-WAT), and pre-molting-washed CP (CP-WBT) were comparatively investigated. The quality of these CP samples was evaluated in terms of the UPLC-QTOF-MS/MS-based chemical profiling and semi-quantification of 39N-acetyldopamine oligomers (belonging to six chemical types), the HPLC-UV-based quantification of 17 amino acids, the ICP-MS-based quantification of four heavy metals, and the contents of ash; the bioactivities of the samples were compared regarding their anti-oxidant and anti-inflammatory activities. It was found that, compared with CP-NW, both CP-WBT and CP-WAT had significantly lower contents of ash and heavy metals. Moreover, compared with CP-WAT, CP-WBT contained lower levels of total ash, acid-insoluble ash, and heavy metals and higher contents ofN-acetyldopamine oligomers and amino acids. It also had enhanced anti-oxidant and anti-inflammatory activities. A Spearman’s correlation analysis found that the contents ofN-acetyldopamine oligomers and free amino acids were positively correlated with the anti-oxidant/-inflammatory activities of CP. All these results suggest that pre-molting washing can not only remove the residual silt but can also avoid the loss of the bioactive components and assure higher bioactivities. It is concluded that pre-molting washing could enhance the quality and bioactivity of CP and should be a superior alternative method for the primary processing of qualified CP.Keywords:Cicadae Periostracum;primary processing;pre/post-molting washing;quality;bioactivity

CAS / MDL: 1898-66-4
研究领域: 药用植物学 · 药物化学 · 中药学 · 分析化学
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Foods · 2026 ·Vol. 15 ·期 7 ·1134 · IF 6

Discovery of Inhibitory Active Ingredients for α-Amylase and α-Glucosidase from Raspberry (Rubus idaeus L.) Stems and Leaves Guided by Affinity Ultrafiltration and UPLC-QTOF-MS/MS

Wei Zhao,Peng Yang,Mingyun Chen,Dongyu Gu,Dajun He

Raspberry (Rubus idaeusL.) fruits have been widely used due to their abundance of diverse polyphenolic compounds, whereas research on the chemical composition and bioactivity of their stems and leaves remains limited. In this study, the ethyl acetate extract of raspberry stems and leaves was evaluated for inhibitory activity against α-glucosidase and α-amylase. Guided by affinity ultrafiltration–mass spectrometry, 16 potential active components were further isolated and characterized. Among these, 13 compounds exhibited binding affinity for α-amylase, while 5 compounds showed binding affinity for α-glucosidase. Quercetin-3-O-β-D-glucoside-7-O-β-D-gentiobioside was isolated from raspberry stems and leaves for the first time. Procyanidin C3and quercetin exhibited significant inhibitory effects on the two enzymes. Molecular docking studies hinted at the interactions between these compounds and the key active sites of the two enzymes. These findings suggest that phenolic compounds in raspberry stems and leaves may possess potential as α-glucosidase and α-amylase inhibitors, providing a scientific basis for further research on their application as functional components for blood glucose control.

CAS / MDL: 56180-94-0
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