Foods
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2023
·Vol. 12
·期 7
·1519
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IF 5.2
Yan Lu,Jinxia Dai,Sen Zhang,Junqin Qiao,Hongzhen Lian,Li Mao
It is widely acknowledged that casein is an important allergenic protein in milk which may cause danger to customers. The identification and confirmation of caseins through mass spectrometry requires the selection of suitable characteristic peptides. In this study, by means of matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS), the three most representative specific peptides of caseins in cow milk were screened out with mass-to-charge ratios (m/z) of 830, 1195, and 1759, respectively. By comparing 2,5-dihydroxybenzoic acid (DHB) andα-cyano-4-hydroxycinnamic acid (CHCA) MALDI matrices, it was found that DHB was more suitable for peptide detection with the limits of detection (LODs) of 0.1 mg/L forα,β-casein. Furthermore, on the basis of verifying the characteristic peptides of casein from cow milk, this protocol was applied to goat milk authentication. Cow milk addition in goat milk was investigated by using the screened specific peptides. The results showed that the adulteration could be identified when the proportion of cow milk was 1% or more. When applied to inspect adulteration in five brands of commercial goat milk, specific peptides of bovine casein were detected in four of them. The method has the advantages of strong reliability, high throughput, simple preprocessing, and fast speed, which can provide powerful help for prewarning dairy allergen.Keywords:goat milk authentication;allergen;bovine casein;specific peptide;matrix-assisted laser desorption ionization time-of-flight mass spectrometry
研究领域:
食品科学
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分析化学
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质谱分析
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2023
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IF 3.4
Shu Chen,Li Liu,Hong-Xia Jiang,Qun Sun,Liang Zhang,Jian-Qun Liu,Li-Fang Liu
Tripterygium wilfordii (TW), a well-known traditional Chinese medicine , was widely used in the treatment of autoimmune disorders and inflammatory diseases . However, the clinical use of TW was limited by severe toxicities, such as hepatotoxicity and nephrotoxicity . Our previous studies indicated that roasting was an effective approach for reducing TW-induced toxicity. After roasting, celastrol was completely decomposed, partially converted into 1-hydroxy-2,5,8-trimethyl-9-fluorenone and the total alkaloids content were significantly reduced. However, the detoxication mechanisms of roasting on TW were poorly unknown. This study aimed to explore the toxicity and detoxification mechanisms of TW after roasting based on urine metabolomics. Promising biomarkers were evaluated by multiple comparison analyses. Sixteen toxicity biomarkers were identified between control group and total extract group. Twelve toxicity biomarkers were identified between control group and total alkaloids group. Eight toxicity biomarkers were identified between control group and celastrol group. These metabolites were mainly involved in seven metabolic pathways, summarized as pentose and glucuronate interconversions, lipid metabolism (sphingolipid metabolism, glycerophospholipid metabolisms, fatty acid biosynthesis and steroid hormone biosynthesis) and amino acid metabolism (taurine and hypotaurine metabolism, tryptophan metabolism). After roasting, the toxicities of total extract, total alkaloids and celastrol were relieved by ameliorative serum parameters and pathological changes in hepatic and renal tissues which revealed that the reduction of celastrol and total alkaloids played important roles in the detoxification of roasting on TW. Furthermore, roasting regulated the levels of fourteen potential biomarkers in the total extract group, ten potential biomarkers in the total alkaloids group and seven candidate biomarkers in the celastrol group to normal levels. Biological pathway analysis revealed that roasting may ameliorate TW-induced metabolic disorders in pentose and glucuronate interconversions, lipid metabolism and amino acid metabolism. This study provided evidence for the application of roasting in TW.
研究领域:
中药学
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毒理学
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代谢组学
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Chinese Journal of Natural Medicines
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2019
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IF 1.773
Da LI,Jian-Qi XIAO,Wen-Yuan LIU,Chao-Feng ZHANG,Toshihiro AKIHISA,Masahiko ABE,Eliot-T. MASTERS,Wei-Wei ZHAI,Feng FENG,Jie ZHANG
The aim of the study was to determine the feasibility of the Vitellaria paradoxa nutshell as a new medicinal resource for treating diabetes. A total of forty-one compounds were identified by HPLC-DAD-Q-TOF-MS and phytochemical methods in V. paradoxa nutshell methanol extract. Based on HPLC fingerprints, four characteristic constituents were quantified and the origin of twenty-eight V. paradoxa nutshells from seven sub-Saharan countries was compared, which were classified into three groups with chemometric method. Twenty-eight samples contained high total phenolic content, and exhibited moderate-higher antioxidant activity and strong α -glucosidase inhibitory activity. Furthermore, all fractions and isolated compounds were evaluated for their antioxidant and α -glucosidase inhibitory activities, and α -glucosidase inhibitory action mechanism of four characteristic constituents including protocatechuic acid, 3, 5, 7-trihydroxycoumarin, (2 R , 3 R )-(+)-taxifolin and quercetin was investigated via molecular docking method, which were all stabilized by hydrogen bonds with α -glucosidase. The study provided an effective approach to waste utilization of V. paradoxa nutshell, which would help to resolve waste environmental pollution and provide a basis for developing potential herbal resource for treating diabetes.
研究领域:
药理学
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药物化学
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植物科学
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环境科学
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BIOMEDICINE & PHARMACOTHERAPY
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2020
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IF 4.545
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
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眼科
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中医
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Natural Product Communications
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2024
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IF 1.5
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.
研究领域:
中药学
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药理学
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MOLECULES
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2026
·Vol. 31
·期 8
·1238
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IF 5.1
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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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
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2026
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IF 8.7
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
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Frontiers in Nutrition
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2025
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IF 5.1
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.
研究领域:
食品科学
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分析化学
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代谢组学
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风味化学
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植物化学
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质量控制
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BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 39
·期 7
·e70146
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IF 1.7
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.
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Food Chemistry-X
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2025
·
IF 8.2
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.
研究领域:
食品科学
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畜牧学
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分析化学
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代谢组学
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风味化学
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JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
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2026
·
IF 4
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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CURRENT TOPICS IN MEDICINAL CHEMISTRY
·
2025
·Vol. 25
·期 23
·2757-2772
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IF 3.3
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.
研究领域:
中医中药
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药理学
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分析化学
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系统生物学
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天然产物化学
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危险品化学品经营许可证（带存储）