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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2022 · IF 7.139

Nitrogen-phosphorus co-functionalized reduced graphene oxide supported NiCoPd-CeOx nanoparticles as a highly efficient and stable catalyst for formic acid dehydrogenation

Jia-Yun Wang,He-Nan Shang,Di Liu,Si-Jia Li,Ya-Xuan Bai,Yu-Bo Liu,Jin-Sheng Liang

Formic acid (HCOOH, FA), a common liquid hydrogen storage material, has attracted tremendous research interest. However, the development of efficient, low-cost and high-stable heterogeneous catalyst for selective dehydrogenation of FA remains a major challenge. In this paper, a simple co-reduction method is proposed to synthesize nitrogen-phosphorus co-functionalized rGO (NPG) supported ultrafine NiCoPd-CeO x nanoparticles (NPs) with a mean size of 1.2 nm. Remarkably, the as-prepared Ni 0.2 Co 0.2 Pd 0.6 -CeO x /NPG shows outstanding catalytic activity for FA dehydrogenation, affording a high TOF value of 6506.8 mol H 2 mol Pd −1 h −1 at 303 K and a low activation energy of 17.7 kJ mol −1 , which is better than most of the reported heterogeneous catalysts, and can be ascribed to the combined effect of well-dispersed ultrafine NiCoPd-CeO x NPs, modified Pd electronic structure, and abundant active sites. The reaction mechanism of dehydrogenation of FA is also discussed. Furthermore, the optimized Ni 0.2 Co 0.2 Pd 0.6 -CeO x /NPG shows excellent stability over 10 th run with 100% conversion and 100% H 2 selectivity, which may provide more possibilities for practical application of FA system on fuel cells.

研究领域: 催化 · 材料科学 · 能源存储 · 纳米技术
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2021 · IF 5.279

Chemical Composition Profiling and Biological Activities of Phenolic Compounds in Eleven Red Sorghums

Yanfang Li,Ming Li,Jiaping Liu,Wenhao Zheng,Yaqiong Zhang,Tongcheng Xu,Boyan Gao,Liangli Yu

The profiles of soluble and insoluble phenolic compounds in 11 commercial red sorghums (B11, B12, B13, B14, J124, J127, J138, J140, J142, J152, and J158) were investigated using ultraperformance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UPLC/Q-TOF-MS) analysis. A total of 48 phenolic compounds including 35 phenolic acids and their derivatives, 12 flavonoids, and 1 proanthocyanidin were identified, and 8 phenolic compounds were reported for the first time in sorghums. Four major 3-deoxyanthocyanidins were also quantified, with their soluble forms accounting for 99.75–99.87% of the total contents. Pearson’s correlation analyses indicated that 3-deoxyanthocyanidins significantly contributed to the antioxidant capacities of the red sorghums and that 5-methoxy-luteolinidin showed the strongest correlation. Besides, the soluble phenolic fraction of B13 dose-dependently inhibited the proliferation of Caco-2 cells and the secretion of IL-1β and NO in RAW264.7 macrophages, which might be attributed to its relatively high total phenolic (TPC), flavonoid (TFC), and proanthocyanidin content (TPAC) values and radical scavenging capacities.

CAS / MDL: 153-18-4
研究领域: 食品科学 · 营养学 · 药理学 · 分析化学
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CATALYSIS LETTERS · 2021 ·Vol. 152 ·期 7 ·2164-2177 · IF 3.186

Highly Effective Rh/NaNbO3 Catalyst for the Selective Hydrogenation of Benzoic Acid to Cyclohexane Carboxylic Acid Under Mild Conditions

Hu Yin,Chen Wei,Chen Yongxin,Zhang Fen,Song Weiguo,Wang Lingling,Fu Jianping,Ren Xiangrong,You Shengyong,Cao Changyan,Yu Zhonghua,Dong Xiaona

Rh/NaNbO 3 catalyst was prepared by a facile solvothermal method combined with photo-deposition technique. Over this catalyst, both conversion and selectivity were up to 100.0% in ten reaction recycles for the selective hydrogenation of benzoic acid to cyclohexane carboxylic acid at room temperature and 0.5 MPa H 2 pressure. TOF value of the catalyst was 207 h −1 for this hydrogenation reaction. The excellent performance and the mild hydrogenation conditions were among the best of the reference catalysts with different supports or surface metal active component. Multiple characterization techniques were adopted to further study the essence of the superior hydrogenation performance. It was found that the abundant oxygen vacancies and the reduction in situ of Rh species accounted for the excellent hydrogenation performance. Besides, the reducible perovskite support, small Rh species particle, specific morphology and pore structure of the catalyst also played important roles in improving the hydrogenation reaction. After eleven hydrogenation recycles, the inactivation of the catalyst was also investigated, and attributed to the carbon deposition and the leaching of Rh species during hydrogenation process. It is an attractive work to design the highly efficient catalysts for benzoic acid hydrogenation with potential application value. Graphic Abstract

研究领域: 催化 · 化学工程 · 材料科学
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CURRENT TOPICS IN MEDICINAL CHEMISTRY · 2025 ·Vol. 25 ·期 23 ·2757-2772 · IF 3.3

Combined UPLC-Q-TOF-MS/MS and Network Pharmacology to Analyze the Potential Mechanism of Jieyu Fuwei Powder for Functional Dyspepsia Treatment

Yan Yang,Kun Li,Feng Cheng,An Kang,Fei Ge

BackgroundJieyu Fuwei Powder (JFP) is a modified prescription of traditional Chinede medicine used to treat functional dyspepsia (FD). However, its components and how it works are still unknown. Identifying the active ingredients of JFP and understanding its therapeutic mechanism for FD were the objectives of the study.MethodsThe compounds present in JFP were analyzed using the UPLC-Q-TOF-MS/MS technique. Potential targets for compounds and diseases were obtained from Swiss Target Prediction and GeneCards databases. A PPI network was created using the STRING database to identify key targets. The Metascape database was utilized for conducting GO and KEGG pathway enrichment analyses. Molecular docking identified active compound-target interactions, validated by FD zebrafish models.ResultsIn total, 65 compounds were identified from JFP and the key active ingredients were Tangeretin, Obovatol, Magnolignan C, Magnolol, Randaiol, Magnolignan A, Luteolin, and Naringenin. The PPI network was constructed, identifying five core targets: SRC, STAT3, PIK3R1, PIK3CA, and MAPK3. JFP primarily regulates anti-depression, promotes gastrointestinal peristalsis, and influences inflammation, according to the enrichment analysis of GO and KEGG pathways. The molecular docking results indicated a strong binding affinity between these five targets and their corresponding compounds. Therefore, the MAPK and PI3K-Akt signaling pathways are important in JFP's effects on FD pathology. Experiments using the zebrafish model confirmed that JFP and its main components could enhance gastrointestinal motility, thus demonstrating the effectiveness of the network pharmacology screening strategy.ConclusionThe study revealed the active ingredients and mechanisms of JFP in treating FD, supporting its clinical application.

CAS / MDL: 64-18-6
研究领域: 中医中药 · 药理学 · 分析化学 · 系统生物学 · 天然产物化学
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Frontiers in Nutrition · 2025 · IF 5.1

Comprehensive analysis of the flavor volatiles and quality characteristics of ginseng products via GC × GC-TOF-MS, aroma profiles and multivariate statistics

Jun Li,Xinyi Xu,Xinrui Zhou,Xiaowen Li,Wentao Guo,Zhe Lin,He Lin,Yongge Piao

Introduction As a popular supplement in the world, ginseng occupies a prominent position in the health food industry. With the expansion of the consumer market, ginseng products have gained wider applications. Previous studies have mainly focused on the cultivation, chemical composition, functions and mechanisms of action of ginseng. Methods To explore the differences of flavor quality characteristics of ginseng products, the volatile metabolites of seven products were evaluate from different growth years, growth environments, processing methods, and parts by GC × GC-ToF-MS, sensory evaluation and multivariate statistics. Results The six-year red ginseng exhibited the highest diversity of volatile metabolites with 2,264 compounds identified, followed by ginseng flowers and ginseng under forest. Odour activity values showed that compounds such as 2,3-Butanedione, Pyrazine, and 2-methoxy-3-(1-methylethyl)-, enhanced the pleasant and buttery flavors of ginseng products. And ginseng flowers displayed more pronounced fruity and citrus flavor characteristics. Additionally, the differences of growing year, growing environment, processing methods and parts on flavor characteristics were analyzed by multivariate statistics. The flavor compounds in ginseng products with a low growth period mainly contribute to sweetness and fruity flavor. Ginseng products after steaming and boiling have more attractive sweet characteristics. The differences in the growth environment significantly affect flavor characteristics including sweetness, greenness, fruity, floral, bitter, herbal and waxy. Discussion This study provided a vital reference for the establishment of a convenient detection and identification system linking ginseng raw materials, flavor characteristics, volatile compounds, and product quality control.

CAS / MDL: 64-17-5
研究领域: 食品科学 · 分析化学 · 代谢组学 · 风味化学 · 植物化学 · 质量控制
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JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE · 2026 · IF 4

Pomegranate seed oil attenuates palmitic acid-induced hepatic injury through modulation of oxidative stress: insights from GC-Q-TOF-MS-based metabolomics

Xueping Ma,Feng Cheng,Reyanggu Abula,Xiuxiang Lu,Tao Wu,Mahinur Bakri,Maitinuer Maiwulanjiang

BACKGROUND Non-alcoholic fatty liver disease (NAFLD) is a leading cause of chronic liver disease worldwide, with oxidative stress and lipid dysregulation as central pathogenic drivers. Pomegranate seed oil (PSO), rich in the conjugated fatty acid punicic acid, has demonstrated potential antioxidant and lipid-modulating properties, yet its hepatoprotective mechanisms remain incompletely characterized at the metabolic level. RESULTS Gas chromatographic–mass spectrometric analysis of the fatty acid composition of supercritical CO 2 -extracted PSO revealed that punicic acid was the predominant fatty acid, comprising 74.47% of the total identified fatty acids, which collectively accounted for approximately 95% of the fatty acid profile. In palmitic acid (PA)-challenged C57BL/6 mice, PA administration significantly increased serum and hepatic lipid levels, liver function markers, oxidative stress indicators, and inflammatory cytokines. PSO intervention dose-dependently ameliorated several of these abnormalities and markedly reduced hepatic lipid accumulation. Gas chromatography–quadrupole time-of-flight mass spectrometry-based serum metabolomics revealed that PSO markedly reversed PA-induced metabolic disturbances, identifying 27 key differential metabolites predominantly associated with amino acid and lipid metabolism. Pathway enrichment analysis highlighted oxidative stress-related pathways, including glutamate, taurine, and fatty acid metabolism. PSO significantly upregulated antioxidant metabolites (cysteine, glutamate, hypotaurine, α-tocopherol) while downregulating oxidative markers (uric acid, xanthine). Complementary in vitro experiments in PA-treated L02 human hepatocytes further demonstrated that PSO alleviated lipotoxicity by attenuating reactive oxygen species generation and preserving membrane integrity. CONCLUSION These findings demonstrate that PSO exerts hepatoprotective effects through multi-target, multi-pathway synergistic mechanisms, particularly via enhancing endogenous antioxidant defense systems, providing scientific evidence for PSO as a promising nutritional intervention strategy for NAFLD prevention and treatment. © 2026 Society of Chemical Industry.

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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2026 · IF 8.7

Rapid screening and mechanism analysis of α-amylase inhibitors in apple polyphenols based on immobilized enzyme and HPLC-Q-TOF-MS/MS

Xiaona Cao,Gailing Tang,Xing Fan,Xinyu Gao,Tianxin Wang,Xiaohan Zhang,Wenjie Wang,Hao Wang

Establishing a chitosan microsphere-immobilized α-amylase system. • Identifying procyanidin B 2 as the core α-amylase inhibitory component within apple polyphenols. • Elucidating the inhibitory mechanism of procyanidin B 2 through multi-technique integration. Inhibition of α-amylase (PPA) delays starch digestion and glucose absorption, serving as an effective means to regulate postprandial hyperglycemia. Apple polyphenols (APE) exhibits PPA inhibitory activity, but their core active components and mechanisms of action remain unclear. This study employed immobilized enzyme coupled with HPLC-Q-TOF-MS/MS to screen PPA inhibitors from APE and elucidate their mechanisms of action.Using amino-modified chitosan microspheres as carriers, PPA was covalently immobilized via genipin-mediated Schiff base reaction. The optimal immobilization conditions were optimized (crosslinking agent concentration 0.17%, enzyme concentration 1 mg/mL, crosslinking 6 h, immobilization 14 h), establishing a stable screening system. APE was fractionated into 9 components by solvent precipitation, with component F 3 exhibiting the most potent inhibitory activity. Based on the aforementioned techniques, 4 active compounds were identified from F 3 , and validation confirmed that procyanidin B 2 (PC B 2 ) demonstrated the most effective inhibitory effect. In vitro experiments and multi-technology validation demonstrated that PC B 2 could delay starch hydrolysis and reduce the production of reducing sugars to regulate postprandial blood glucose, exhibiting reversible competitive inhibition against PPA (IC 50  = 0.25 mg/mL). It could bind to PPA and alter its secondary and tertiary structures, inducing intrinsic protein fluorescence quenching through static quenching. The binding of the two components triggered an exothermic reaction, forming a stable complex. Download: Download high-res image (140KB) Download: Download full-size image

CAS / MDL: 609-99-4
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BIOMEDICAL CHROMATOGRAPHY · 2025 ·Vol. 39 ·期 7 ·e70146 · IF 1.7

Pharmacodynamic Substance Basis and Anti-Cervicitis Efficacy Study of Jing Dai Ning Jiao Nang Based on UHPLC-Q-TOF-MS/MS Technology

Ling Yuan,Xiao Liang,Huan Wu,Wenmin Wang,Liye Xu,Yulin Feng,Wugang Zhang

Jing Dai Ning Jiao Nang (JDNJN), a traditional Miao medicine from Guizhou Province, demonstrates clinical efficacy in treating gynecological disorders like dysmenorrhea but lacks mechanistic clarification. This study investigated JDNJN's anti-cervicitis effects and pharmacological basis using a 25% phenol mucilage-induced rat cervicitis model. The efficacy of JDNJN was evaluated through pathological examination, peripheral blood tests, HE staining, and ELISA assays. UHPLC-Q-TOF-MS/MS was used to analyze the chemical components of JDNJN, as well as prototype compounds and metabolites in the plasma, urine, and feces of rats after administration. The results showed that JDNJN ameliorated cervicitis-induced alterations in body weight, vulvar inflammation, organ index, white blood cell count, and cervical tissue structure in rats, and exerted therapeutic effects by regulating inflammatory cytokines. Additionally, 98 compounds were identified in JDNJN, primarily flavonoids, with 17 prototype compounds and 60 metabolites detected post-administration. Key metabolic pathways included deoxygenation, hydroxylation, methylation, hydroxylation combined with methylation, and sulfation. These findings establish the anti-inflammatory effect of JDNJN on cervicitis and clarify its pharmacodynamic material basis. This study provides foundational evidence for further exploration of JDNJN's active components and molecular mechanisms.

CAS / MDL: 9004-32-4
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Food Chemistry-X · 2025 · IF 8.2

An integrated metabolomics-flavoromics analysis reveals flavor diversity in indigenous and hybrid cattle via UHPLC-MS/MS and GC×GC-TOF-MS

Yuanfeng Zhao,Jingrui Zhou,Wenju Luo,Lingling Jiang,Fuzhan Song,Jiang Ran,Haoxiang Xu,Lu Lei,Rong Ai,Bo Yu

This study investigated breed-specific flavor characteristics in Guanling (GL), Sinan (SN), and Simmental-crossbred (XZ) cattle using UHPLC-MS/MS and GC × GC-TOF MS. Specifically, XZ had 73 and 48 differential metabolites compared to GL and SN, respectively, whereas GL and SN showed 31 discriminated metabolites. Notably, these differences were linked to flavor-related metabolic pathways, particularly beta-alanine, histidine, glutathione, and purine metabolism. Regarding the composition of volatile organic compounds (VOCs), GL displayed a higher ketone content (18.58 %), whereas XZ was enriched in alcohol (56.25 %). Key VOCs with the highest flavor contributions across all breeds were 2,3-Butanedione, (E)-2-nonenal, 2-ethyl-1-hexanol, and (E)-2-octenal. However, dimethyl sulfide contributed significantly to GL and SN flavors but not to XZ. Collectively, the 49 differential VOCs led to aroma profiles of breeds varied in “sweet”, “fruity”, “nutty”, and “waxy” characteristics. This comprehensive analysis of non-volatile metabolites and flavor-related VOCs revealed breed-specific profiles and crossbreeding effects, providing insights for improving meat quality.

CAS / MDL: 79-09-4 103616-89-3
研究领域: 食品科学 · 畜牧学 · 分析化学 · 代谢组学 · 风味化学
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Natural Product Communications · 2024 · IF 1.5

Isolation and Identification of Anti-Inflammatory Active Components from Asparagi Radix cochinchinensis Based on HPLC-CAD and UPLC-Q/TOF-MS Techniques

Yan Lei,Bing Wang,Guanglin Zhu,Guo Feng,Wei Li,Caiyao Han,Qian Qin,Xie-an Yu,Xueli Song,Zhengyan He,Ju Zhang,Hongmei Su,Wenjing Wang

Background: In the research of the pharmacological activity of modern Chinese medicine, a large number of traditional Chinese medicines show anti-inflammatory activity. Asparagi radix is one of the anti-inflammatory drugs. With the deepening of people's research on Asparagi radix, its anti-inflammatory pharmacological effects have been gradually explored, but its specific anti-inflammatory active ingredients are still unclear. Therefore, it is necessary to screen and identify its specific anti-inflammatory active ingredients from Asparagi radix. At present, COX-2 is an important target for the treatment of chronic inflammation, and many drugs targeting this target have been marketed. However, some drugs have serious side effects, so it is very meaningful to study new COX-2 inhibitors. Methods: In this experiment, the fractions of different time periods are separated by high performance liquid chromatography-separation-trapping system (HPLC-CAD-FC). Then, ultra-high performance liquid chromatography-quadrupole time-of-flight/mass spectrometry (UPLC-Q-TOF/MS) and biological activity analysis techniques are used to identify the chemical composition and in vitro anti-inflammatory activity of each fraction. Finally, the data is integrated to screen out the substances with potential anti-inflammatory activity in Asparagi radix. Results: The results showed that the method established in this experiment can successfully isolate the active components of Asparagi radix, and four saponins with potential anti-inflammatory activity are identified. Conclusion: In summary, the analysis method established in this study can quickly and effectively screen out its anti-inflammatory active substances, and its potential anti-inflammatory active ingredients are mainly steroidal saponins.

CAS / MDL: 64-18-6
研究领域: 中药学 · 药理学
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Food Production Processing and Nutrition · 2025 ·Vol. 7 ·期 1 ·1-15 · IF 5.7

Chemical profiling of Polygonatum cyrtonema Hua aqueous extract by UPLC-Q-TOF MS and protective effect on metabolic-associated fatty liver disease

Cao Tianzhuo,Hai Xiaoya,Zhao Chenchen,Wang Mengjin,Tong Zihan,Cui Hao,Zhou An,Liu Juan,Yu Nianjun,Xing Lihua

Polygonatum cyrtonema Hua ( P. Hua) has been demonstrated with several biological potentials, such as lipid lowering and anti-inflammatory effects. To evaluate protective the effect of P. Hua aqueous extract (PCHE) on metabolic-associated fatty liver disease (MAFLD), PCHE was analyzed by UPLC-Q-TOF MS to characterize the chemical composition and pharmacodynamic experiments in vivo and in vitro were conducted using PCHE to intervene in MAFLD models. In vitro, a MAFLD cellular model was established by inducing HepG2 cells with free fatty acid (FFA). In vivo, a MAFLD murine model was generated via a high-fat/high-fructose (HFHF) diet in C57BL/6 J mice. The results showed that a total of 32 chemical compounds were detected in PCHE. In both HepG2 cells and HFHF-induced MAFLD mice, high-dose PCHE significantly improved lipid profiles, inhibited excessive hepatic lipid droplet accumulation, and up regulated the mRNA and protein expression of PPARα/CPT-1A/MCAD. In conclusion, PCHE exerted regulatory effects on MAFLD, possibly associated with the modulation of the PPARα/CPT-1A/MCAD signaling pathway. These results provided an vital basis for the development of functional food made up of P. Hua to prevent MAFLD. Graphical

CAS / MDL: 67-56-1
研究领域: 植物化学 · 药理学 · 代谢性疾病研究 · 天然产物 · 质谱分析
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MOLECULES · 2026 ·Vol. 31 ·期 8 ·1238 · IF 5.1

Chemical Constituents Comparison Between the Flowers of Sophora japonica L. and Robinia pseudoacacia L. by UPLC-Q-TOF-MS/MS and HPLC

Cui-Cui Sun,Yi-Ting Chen,Hai-Xia Xu,Yu-Xian Guo,Qing-Feng Zhang

The flowers ofSophora japonicaL. (SJF) andRobinia pseudoacaciaL. (RPF) are edible and similar in appearance. The chemical constituents of SJF and RPF were compared by UPLC-Q-TOF-MS/MS and HPLC analysis in this study. A total of 29 and 19 constituents were identified in SJF and RPF, respectively. Flavonoid glycosides were the main constituents found in both flowers. The main aglycon moieties found in SJF were quercetin, kaempferol and isorhamnetin, whereas acacetin and kaempferol were the main ones found in RPF. Additionally, the content of flavonoids in SJF was significantly higher than that in RPF, as determined by HPLC. Rutin was the most dominant flavonoid in SJF with a content range of 72.31~88.15 mg/g, followed by quercetin (13.05~20.30 mg/g). Kaempferol-di(rhamnoside)-hexoside was the most dominant flavonoid in RPF with a content range of 25.94~30.00 mg/g. The distinct flavonoid profiles indicated the chemical non-equivalence of SJF and RPF. Therefore, RPF should not be considered a direct substitute for SJF in herbal medicine without further pharmacological and clinical validation.

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