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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2023 · IF 8.2

Screening and identification of lipase inhibitors extracted from Dioscorea nipponica Makino by UV–vis and HPLC coupled to UPLC-Q-TOF-MS/MS

Peiyi Jin,Linzhou Chen,Jinjian Zhong,Tiefeng Yuan,Lin Gan,Jilong Huang,Liping Wang,Huajun Fan,Chen Lin

Dioscoreae nipponica Makino ( D. nipponica ) as the rhizome of dioscoreaceae rich in steroidal saponins, has been reported to have the hypolipidemic effects etc. However, it is still unclear which exact active components are primary responsible for the beneficial effects. This study was conducted to fish out the lipase inhibitors from D. nipponica , and evaluate the inhibitory activity on porcine pancreatic lipase (PPL) through in vitro kinetic assay using p -nitrophenyl palmitate as substrate. Accordingly, the ethanolic extract was subjected to D101 macroporous resin purification for spectrophotometric screening, high performance liquid chromatography (HPLC) separation and structural characterization by ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry. Through orlistat validation, the PPL inhibitory activity and IC 50 value of the extract were respectively 68.34 ± 1.47 % and 107.05 μg/mL under the optimized inhibition conditions. From 6 steroidal saponins identified, the inhibitory components named the protodioscin, protogracillin, dioscin and gracillin were fished out by grouping separation and HPLC analysis. Furthermore, dioscin and gracillin with the parent structure of diogenin were confirmed as the major inhibitors by virtue of stability tests based on transformation of protodioscin and protogracillin. Finally, the inhibitory mechanism of the major inhibitors toward PPL was further clarified by kinetic analysis and molecular docking analysis. The proposed method not only revealed the PPL inhibitory components in D. nipponica , but also provided an effective approach to hierarchical screening of PPL inhibitors from natural plants.

研究领域: 药理学 · 生物化学 · 分析化学 · 天然产物
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FUEL · 2024 · IF 6.7

In situ synthesis of Rh@NaX catalyst for 1-hexene hydroformylation

Gongcheng Sun,Wan Chen,Yaoying Li,Subing Fan,Junmin Lv,Tiansheng Zhao

The hydroformylation reaction is very important in industry. However, the leaching of the noble metal Rhodium (Rh) and the separation of homogeneous catalyst have always been difficult problems to solve. And even heterogeneous Rh-base catalyst was developed to solve the separation problem, the serious Rh losing is still hard to avoid. In this work, heterogeneous encapsulated Rh@NaX was prepared by using one-step synthesis method and used as catalyst without reduction in 1-hexene hydroformylation reaction. Rh@NaX catalyst exhibited outstanding catalytic performance. When directly complexed with ligand triphenylphosphine (PPh 3 ), it achieved high heptanal yield of 97.53 %, high n/i ratio of 2.59 and high TOF of 6588 h −1 . Interestingly, encapsulated catalyst exhibited higher recycling stability and much lower Rh leaching compared to impregnated catalyst. In addition, in situ XPS and DRIFT analyses were conducted to elucidate the reduction process of Rh and the reaction pathway.

研究领域: 催化 · 化学工程 · 材料科学
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JOURNAL OF CATALYSIS · 2024 · IF 6.5

Effective hollow Rh@H-S-1 catalyst for hydroformylation of 1-hexene

Gongcheng Sun,Subing Fan,Junmin Lv,Tiansheng Zhao

A hollow zeolite encapsulated Rh catalyst Rh@H-S-1 with an “eggshell” structure was prepared using the method of organic alkali treatment and recrystallization. Compared with catalysts with directly encapsulated Rh@S-1 and surface impregnated Rh/S-1, this catalyst exhibited both superior activity and a higher TOF value in hydroformylation of 1-hexene due to the high dispersion of Rh and high diffusion. The Rh element did not need to be reduced in the preparation, and it was in situ reduced by the syngas. The content of lower valence Rh δ+ gradually increased with the reaction procedure and played as an active center. The low oxidized state Rh + or Rh δ+ in the form of Rh(CO) 2 are proposed as active sites in hydroformylation, which were generated under the synergistic effect between CO and H 2 . Importantly, the hollow encapsulated catalyst effectively decreased Rh leaching to 0.1 ppm and showed better stability compared with the impregnated Rh/S-1 catalyst.

CAS / MDL: 20765-98-4
研究领域: 催化 · 化学工程 · 材料科学
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BIOMEDICINE & PHARMACOTHERAPY · 2020 · IF 4.545

Study on the potential effective ingredients of Xiaosheng prescription for dry eye disease

Huimin Wu,Longfei Lin,Xueying Du,Lingling Zhang,Xingbin Yin,Xiaoxv Dong,Xiaofeng Hao,Like Xie,Changhai Qu,Jian Ni

Xiaosheng prescription (XSP) has been used for dry eye disease (DED) for more than 10 years in Eye Hospital of China Academy of Chinese Medicine Sciences. However, the effective ingredients involved have remained unclear, which was investigated in this study by the correlation of ingredient and therapeutic activity. Human corneal epithelial cells (HCEC) cultured with 110 mM NaCl solution in vitro and C57BL/6 mice injected subcutaneously with scopolamine hydrobromide were used to establish dry eye models, and the therapeutic effect of XSP extract 1 was better than that of XSP extract 2 significantly. Then, UPLC-Q-TOF/MS and data analysis program Progenesis QI and Makerlynx XS were used to analyze the potential effective ingredients of XSP, and 4 compounds were speculated and identified, in which Schisandrin and 1 μM of Schisantherin A could obviously increase the cell survival rate of injured cells on the cell model. It can be indicated that Schisandrin and Schisantherin A are probably the potential effective ingredients in XSP for DED.

研究领域: 药理学 · 眼科 · 中医
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Chemical Science · 2018 ·Vol. 10 ·期 1 ·257-267 · IF 9.063

Hybrid CuCoO–GO enables ultrasensitive detection of antibiotics with enhanced laser desorption/ionization at nano-interfaces

Enhui Wu,Kun Feng,Rui Shi,Rui Lv,Fuzhong Ouyang,Shawn S. C. Li,Jun Zhong,Jian Liu

The soaring concerns globally on antibiotic overuse have made calls for the development of rapid and sensitive detection methods urgent. Here we report that the hybrid CuCoO–GO matrix allows for sensitive detection of various antibiotics in combination with MALDI TOF MS. The new matrix is composed of few-layered GO nanosheets decorated with CuCoO nanoparticles with an average size of 10 nm, and exhibits excellent aqueous suspensibility. Accurate quantitation of the sulfonamide antibiotics in milk samples have been demonstrated using a CuCoO–GO matrix and a stable isotope (C13)-labeled analyte as the internal standard. Our experiments have achieved lower limits of detection (LOD) by several hundred fold for the detection of a panel of representative antibiotics, in comparison with the literature reports. Both intrabacterial and extrabacterial residual antibiotics can be sensitively detected with our method. We have further investigated the molecular mechanism of the enhanced desorption/ionization efficiency by the CuCoO–GO matrix with synchrotron radiation techniques for the first time. This work provides a sensitive matrix enabling MALDI-TOF MS to be applied in small molecular analysis, but also presents a distinct perspective on the mechanism behind the material functions.

CAS / MDL: 10026-22-9
研究领域: 分析化学 · 纳米技术 · 材料科学 · 生物医学工程 · 质谱分析
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Communications Biology · 2024 ·Vol. 7 ·期 1 ·1-15 · IF 5.2

Alkaloids of Aconiti Lateralis Radix Praeparata inhibit growth of non-small cell lung cancer by regulating PI3K/Akt-mTOR signaling and glycolysis

Zhang Wen,Cai Shuhui,Qin Lihong,Feng Yaru,Ding Menglei,Luo Zichen,Shan Jinjun,Di Liuqing

Aconiti Lateralis Radix Praeparata ( Fuzi in Chinese) is widely used in the clinical treatment of tumors. This study aims to explore the active fractions and underlying mechanisms of Fuzi in the treatment of non-small cell lung cancer (NSCLC). Fuzi alkaloids (FZA) is prepared and found to inhibit the growth of NSCLC both in vitro and in vivo significantly. A total of 53 alkaloids are identified in FZA by UPLC-Q-TOF-MS. Proteomics experiment show that 238 differentially expressed proteins regulated by FZA are involved in amino acid anabolism, pyrimidine metabolism and PI3K/Akt-mTOR signaling pathway. Metabolomics analyses identify 32 significant differential metabolites which are mainly involved in amino acid metabolism, TCA cycle and other pathways. Multi-omics research combined with molecular biological assays suggest that FZA might regulate glycolysis through PI3K/Akt-mTOR pathway to treat NSCLC. The study lays a foundation for the anti-cancer investigation of Fuzi and provides a possible scientific basis for its clinical application.

CAS / MDL: 14913-33-8
研究领域: 肿瘤学 · 药理学 · 分子生物学 · 生物化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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CHEMISTRY & BIODIVERSITY · 2024 · IF 2.3

Structural Characterization and Screening for Anti-inflammatory Activity of Polysaccharides with Different Molecular Weights from Astragali Radix

Xinhui Fan,Ke Li,Xuemei Qin,Zhenyu Li,Yuguang Du

Astragali Radix polysaccharides (APSs) exhibit a broad spectrum of biological activity, which is mainly related to immune regulation. At present, most available studies focus on total APSs or a certain component of APSs. However, structural structure study and screening for the anti-inflammatory activity of polysaccharides with different molecular weights (MW) have yet to be conducted. In this study, lipopolysaccharide (LPS)-induced RAW264.7 macrophages were used as a model to investigate the anti-inflammatory activity of APSs and its fractions. The results revealed that fraction APS-I had better anti-inflammatory effects than APS-II. After APS-Ⅰ was hydrolyzed by trifluoroacetic acid (TFA), the resulting degradation products oligosaccharides were fully methylated. These derivatized oligosaccharides were further analyzed by MALDI-TOF-MS and UPLC-Q-Exactive-MS/MS. The results showed that APS-Ⅰ was a hetero-polysaccharide with a molecular weight of about 2.0 × 106 Da, mainly consisting of glucose (46.8%) and galactose (34.4%). The degree of polymerization of Astragali Radix oligosaccharides (APOS) was 2-16. APOS were identified as 1,4-glucooligosaccharides and 1,4-galactooligosaccharides. The findings of this study lay the foundation for further elucidation of structure-function relationships of APSs and provide guidance for the development of anti-inflammatory drugs.

CAS / MDL: 67-68-5 74-88-4
研究领域: 药理学 · 生物化学 · 免疫学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2025 · IF 8

Bioactive compounds with anti-obesity potential from Cassia obtusifolia L. explored by lipase-immobilized magnetic metal-organic frameworks and UPLC-Q-TOF-MS/MS

Hui Zhang,Mengjia Xu,Ming Yang,Jun Ding,Mingquan Guo

The seeds of Cassia obtusifolia L. (Cassia seed) have long been utilized as an edible traditional Chinese medicinal herb and tea with various health benefits, including improving obesity and protecting eyesight. In this work, we developed a rapid screening method based on pancreatic lipase (PL)-functionalized magnetic composite nanoparticles coupled with ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-QTOF-MS/MS) and molecular networking analysis. This method utilized the advantages of polydopamine (PDA) and metal-organic frameworks (MOFs) functionalized magnetic core-shell structures (Fe 3 O 4 @PDA@MOFs MNPs), significantly enhancing the immobilization efficiency and performance of PL. The enzyme loading capacity was increased by 1.5-fold, and notable improvements in reusability and storage stability were also observed. By using this immobilized enzyme model in combination with UPLC-QTOF-MS/MS, 22 potential PL inhibitors were selectively screened and identified from the seeds of Cassia obtusifolia L. Molecular network analysis was innovatively introduced to improve the efficiency of compound identification by summarizing the similarity of mass spectral fragments. The inhibitory activities of three representative ligands of Cassiaside B, Biochanin A 7-glucoside and Aurantio-obtusin were further investigated. Molecular docking analysis revealed that the amino acid residue ASP249 in lipase contributes a significant role in the binding of active ligands to lipase. Overall, this proposed screening strategy, characterized by its specificity in enzyme binding and the convenience of functionalized magnetic separation, presents promising prospects for rapid and high-throughput screening of active components and drug candidates from natural resources.

CAS / MDL: 150-13-0
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2025 · IF 8

A systematic comparative analysis of ginger-related varieties from three dimensions based on HS-SPME-GC-Q-TOF MS and UHPLC-LTQ-Orbitrap MS

Huan-ya Yang,Lin Yang,Yu-lu Wang,Yun-shu Hu,Yun Li,Hua Qu,Wen-long Wei,Hui-yan Yang,Qi-rui Bi,Jian-qing Zhang,De-an Guo

Ginger is extensively utilized in culinary and traditional medicine worldwide. This study presents a comparative analysis on ginger-related varieties from different species, growth stages, processing methods and geographical origins using headspace solid-phase microextraction gas chromatography quadrupole time-of-flight mass spectrometry (HS-SPME-GC-Q-TOF MS) and ultra-high performance liquid chromatography linear-ion-trap-quadrupole orbitrap MS (UHPLC-LTQ-Orbitrap MS). A total of 120 volatiles and 377 non-volatiles were annotated. Metabolomics revealed 44 differential components to discriminate six Zingiberaceae species. Among them, ginger contained the highest levels of chemical components. Additionally, 44 components were found to completely distinguish two growth stages and four processing forms of ginger. As ginger matures, changes in volatiles become more pronounced, while significant differences in non-volatiles were observed across processing stages. Moreover, ginger from three regions was compared, and ginger from Western was found to have more abundant non-volatiles and a higher qualification rate (Yunnan 100 % vs. Fujian 33 %, Henan 15 %). This study maps the chemical profile of ginger and related varieties, providing insights for development of novel products and informing decisions in cultivation, production, and purchasing.

CAS / MDL: 64-18-6
研究领域: 植物化学 · 食品科学 · 药用植物学
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ULTRASONICS SONOCHEMISTRY · 2025 · IF 9.7

Green recovery of phenolics from bitter orange flowers: Natural deep eutectic solvent-ultrasound synergistic extraction, adsorptive purification, and UPLC/Q-TOF-MS/MS analysis

Ziyu Lv,Jing Ma,Chi Wei,Jiaqi Wang,Dan Wang,Xinxin Cheng,Guoliang Chen,Luis A.J. Mur,Yanfeng Wang,Duo Cao

Bitter orange flowers (BOF), a renowned medicinal and edible botanical resource, are rich in phenolic compounds with significant potential for health and industrial applications. However, efficient extraction and purification techniques for recovering bioactive phenolics remain underexplored. To address this gap, this study aimed to develop an eco-friendly integrated strategy combining natural deep eutectic solvent-ultrasound synergistic extraction (NADES-USE) with adsorptive purification for efficient recovery of total phenolics from BOF (BOF-TP). First, choline chloride-ethylene glycol (ChCl-EG) was determined to be the optimal extraction solvent from 12 synthesized NADESs and 3 common solvents. Employing Box-Behnken design (BBD), the optimized parameters for NADES-USE (38 % aqueous ChCl-EG, 18 mL/g, 345 W, 43 min, and 55 °C) resulted in a BOF-TP yield of 104.58 ± 0.34 mg/g, which was 1.30 to 2.16 times higher than those achieved with conventional solvents. Then, AB-8 resin demonstrated optimal adsorption–desorption performance for BOF-TP, with adsorption behavior strongly conforming to Langmuir isotherm and pseudo-second-order kinetic models. Thermodynamic analysis confirmed a spontaneous, exothermic physisorption process with decreasing entropy. The breakthrough curves and gradient elution curves were utilized to establish a chromatographic purification process for crude BOF-TP extracts, achieving a purity of 75.62 ± 0.95 %. Finally, a validated UPLC-Q/TOF-MS/MS method facilitated comprehensive chemical characterization and simultaneous quantification of seven bioactive compounds, serving as a basis for the quality control of purified BOF-TP extracts. In conclusion, this work demonstrates that the combination of NADES-USE and adsorptive purification offers significant potential for producing highly purified BOF-TP extract for further use in food and pharmaceutical applications.

✓ 已验证 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8.8

Effects of different heat treatment methods on Tan lamb flavor: An integrated approach with GC × GC-TOF-MS, GC-IMS, Lipidomics, and multispectral techniques

Heyu Zhang,Dongsong Yang,Shuang Bai,Qingqing Cao,Lingping Zhang,Wenlin Yang,Ruiming Luo

This study investigated the effects of three heat treatment methods (steaming, roasting, and stir-frying) on changes in protein conformation, flavor profiles, and lipid components of Tan lamb meat. The results showed that stir-frying promoted the oxidation of lipids and proteins most significantly, followed by roasting, while steaming resulted in the lowest oxidation level. This phenomenon was attributed to differences in heating temperatures, heat transfer efficiencies, oxygen exposure, and the degree of heat-induced dehydration. A total of 217 volatile flavor compounds (VFCs) were identified using comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC × GC-TOF-MS). Through multivariate statistical analysis combined with odor activity value (OAV) analysis, 1-octen-3-ol, (E,E)-2,4-decadienal, octanal, and (Z)-4-decenal were determined as key VFCs. Pearson correlation analysis revealed significant correlations between these key VFCs and changes in protein conformation. Furthermore, lipidomic analysis of Tan lamb samples subjected to different heat treatment methods revealed that the differential lipids were mainly glycerophospholipids (GPs) and glycerolipids (GLs). Among these, triglyceride (TG) 18:1_18:1_18:1 and lysophosphatidylcholine (LPC) 19:1 were identified as potential biomarkers for monitoring the extent of thermal processing and predicting lamb flavor formation. This study contributes to the in-depth elucidation of the underlying mechanisms of flavor variation in Tan lamb under diverse heat treatment methods.

CAS / MDL: 504-17-6 60-00-4 76-03-9
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JOURNAL OF HAZARDOUS MATERIALS · 2019 · IF 7.65

Toluene oxidation over Co3+-rich spinel Co3O4: Evaluation of chemical and by-product species identified by in situ DRIFTS combined with PTR-TOF-MS

Jinping Zhong,Yikui Zeng,Dongdong Chen,Shengpeng Mo,Mingyuan Zhang,Mingli Fu,Junliang Wu,Zixue Su,Peirong Chen,Daiqi Ye

Series of Co 3+ -rich spinel Co 3 O 4 catalysts were synthesized and evaluated by toluene catalytic oxidation. An outstanding activity was achieved over Co 3 O 4 -N utilizing Co(NO 3 ) 2 ·6H 2 O as precursor (T 50 = 211 °C, T 90 = 217 °C at conditions: 1000 ppm(v), WHSV = 60 000 mL g −1 h −1 ). Results of comparative characterizations demonstrated that such excellent performance was mainly attributed to large surface area, high reducibility at low temperature, high abundance of Co 3+ ions and structure defects, as well as highly active surface oxygen. The results of in situ DRIFTS revealed that in the air or N 2 atmosphere, the by-products were almost the same. The reaction pathway of toluene oxidation can be described as follow: transformation of toluene from benzyl alcohol, benzaldehyde, benzoate, benzene, phenol, benzoquinone, maleic acid and to final products, which were fully confirmed by PTR-TOF-MS. Besides, ring opened by-products, such as acetone, acetic acid, acetaldehyde, etc. were also detected. In this work, the combination of in situ DRIFTS and PTR-TOF-MS provided a promising approach for further understanding of the mechanism of VOCs elimination.

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