LWT-FOOD SCIENCE AND TECHNOLOGY
·
2023
·
IF 6
Zhenbao Jia,Hua Liu,Wenwei Chen,Fei Tao
Gynura bicolor DC ( G. bicolor ) is largely consumed as a vegetable in many parts of the world, and due to its content in anthocyanin can be considered as a health-promoting food. This study aimed to characterize the anthocyanin composition of G. bicolor and compare the effect of microwave vacuum drying (MVD) on the anthocyanin content with that of hot air drying (HAD). Anthocyanins were characterized using high-performance liquid chromatography-quadrupole-Orbitrap mass spectrometry (HPLC-Q-Orbitrap MS), which accurately identified five anthocyanin compounds. Delphinidin 3- O -neohesperidoside is the main anthocyanin compound found in G. bicolor . MVD decreased the drying time by 89% compared to HAD. MVD retained 87% of the total anthocyanins in G. bicolor , compared to 18% retained by HAD. This study revealed that MVD produced high-quality dried G. bicolor products, while exhibiting reduced processing times compared to those achieved using HAD.
研究领域:
食品科学
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植物化学
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产品关联
DOI
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2021
·
IF 4.759
Keyu Feng,Simiao Wang,Lifeng Han,Yuexin Qian,Huifang Li,Xue Li,Li Jia,Ying Hu,Huimin Wang,Meiyu Liu,Wandi Hu,Dean Guo,Wenzhi Yang
Herbs represent complex chemical systems involving various primary and secondary metabolites that are featured by large spans of acid-base property, polarity, molecular mass, and content, etc. , which thus poses great challenges to characterize the metabolites contained. Here, the combination of multiple-mechanism chromatography coupled with improved data-dependent-MS 2 acquisition (DDA-MS 2 ) is presented as a strategy to support the deep metabolites characterization. Targeting Uncaria sessilifructus , a reputable medicinal herb containing alkaloids and triterpenic acids (TAs) as the main pharmacologically bioactive ingredients, a three-dimensional liquid chromatography (3D-LC) system was established by integrating ion exchange chromatography, hydrophilic interaction chromatography, and reversed-phase chromatography (IEC-HILIC-RPC). The first-dimensional chromatography, configuring a PhenoSphere SCX column eluted by methanol/20 mM ammonium acetate-0.05% formic acid in water, could well fractionate the total extract into two fractions (unretained ingredients and alkaloids). The subsequent HILIC using an XAmide column and RPC by a CSH Phenyl-Hexyl column achieved the sufficient resolution of the total TAs and total alkaloids, respectively. A polarity-switching precursor ions list-including DDA approach by Q-Orbitrap-MS enabled the high-efficiency, coverage-enhanced identification of alkaloids and TAs. This 3D-LC/Q-Orbitrap-MS system was validated as precise (RSD < 5% for intra-day/inter-day precision), Up to 308 components were separated from U. sessilifructus , and 128 thereof (including 85 alkaloids, 29 TAs, and 14 others) were identified or tentatively characterized, exhibiting superiority over the conventional one-dimensional LC/MS. Conclusively, 3D-LC/MS in an off-line mode can facilitate the flexible configuration of multiple chromatography to accomplish the fit-for-purpose characterization of the metabolites from an herbal extract or a biosample.
研究领域:
分析化学
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药学
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质谱分析
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中药学
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产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2020
·
IF 4.972
Chen He,Zexin Sun,Xingchen Qu,Jun Cao,Xuanri Shen,Chuan Li
Round scad ( Decapterus maruadsi ) is rich in eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). However, there is no comprehensive information covering its lipidomic profile. In this study, lipid profiles including fatty acid composition, distribution and detailed structure information were explored using gas chromatography-flame ionization detector (GC-FID) and ultra-high-performance liquid chromatography coupled with hybrid quadrupole-orbitrap mass spectrometry (UPLC-Q-Exactive Orbitrap-MS). The results showed that triacylglycerol (TG) was the dominant class, and the EPA and DHA were concentrated as glycerophospholipid (GP). The saturated fatty acids and monounsaturated fatty acids were mainly esterified in positions 1 and 3 of TG and sn -1-position of GP, while the polyunsaturated fatty acids (PUFA) were mainly esterified in sn -2-position of TG and GP. A total of 1282 species from six classes (21 subclasses) including glycerolipids (GL), sphingolipids (SP), GP, fatty acyls (FA), saccharolipids (SL) and prenol lipids (PR) were identified. Several molecular species were characterized with PUFA, especially EPA and DHA in GP. Considering the superior fatty acids composition and distribution of round scad, it is deserved for further exploitation of its marine lipid source on account of the healthy and nutritional functions.
研究领域:
生物化学
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营养学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
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2023
·
IF 4.3
Li Zhou,Yuting Guan,Jiaxu Yao,Minjie Zhao,Haiyan Fu,Jikai Liu,Eric Marchioni
Lilium brownii var. viridulum Baker is an economically important plant, and its bulbs are popular among consumers for their high nutritional value. Due to the influence of environment, the chemical composition of lily from different origin is different, which leads to the different medicinal and nutritional values. Thus, it is very significant and necessary to discriminate the origins of lily. In this study, lipid classes and molecular species of lily samples from eight origins were identified and quantified by UHPLC-QE-Orbitrap/MS/MS and combined with chemometrics for modeling and analysis. The results showed that a total of 16 lipid classes and 88 lipid molecules were identified and quantified. The partial least squares discriminant analysis (PLS-DA) showed that there were significant differences in lipid metabolites between LH (Daodi) and other origins. And 39 characteristic compounds such as TAG 16:0/18:0/18:2, TAG 18:0/18:1/18:2, and LDGCC 15:2 could be used as the markers to identify the geographical origin of lily. This study established a new method to identify the origin traceability of lily in different production areas, and provided a theoretical basis to evaluate the nutritional value of lilies from different origins.
研究领域:
植物化学
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代谢组学
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食品科学
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产品关联
DOI
高影响因子
Frontiers in Immunology
·
2024
·
IF 5.7
Qian Liping,Zeng Zehua
Introduction: The outbreak of SARS-CoV-2, leading to COVID-19, poses a major global health threat. While specific treatments and vaccines are under development, Traditional Chinese Medicine (TCM) has historically been effective against pandemics, including viral pneumonias. Our study explores the efficacy and mechanisms of Jinhua Qinggan Granules (JHQG) in treating COVID-19.Methods: We analyzed JHQG’s components using UHPLC-Q-Exactive-Orbitrap-MS, identifying 73 compounds. Network pharmacology and single-cell RNA sequencing (scRNA-seq) were used to assess JHQG’s effects on immune cells from peripheral blood mononuclear cells (PBMCs). Literature review supported the antiviral and anti-inflammatory effects of JHQG.Results: JHQG targets were found to interact with immune cells, including neutrophils, monocytes, plasmablasts, and effector T cells, reducing their overactivation in severe COVID-19. JHQG’s modulation of these cells’ activity likely contributes to reduced inflammation and improved clinical outcomes.Discussion: Our findings provide insights into JHQG's mechanism of action, highlighting its potential in controlling the inflammatory response in COVID-19 patients. The study supports the use of JHQG as a safe and effective treatment for COVID-19 and similar viral infections, leveraging its ability to modulate immune cell activity and reduce inflammation.
研究领域:
中药学
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免疫学
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病毒学
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产品关联
DOI
PubMed
高影响因子
Antioxidants
·
2026
·Vol. 15
·期 8
·1008
·
IF 8.2
Zhengyan Tan,Pei Xu,Dan Wang,Zongna Han,Huaying Chen,Qianqian Zhu,Yang Yang,Wei Pan,Piao Wang,Rongxiang Chen
This study established an activity-oriented analysis method based on offline two-dimensional liquid chromatography–electrochemical detection (2D-LC-ECD) combined with ultra-high-performance liquid chromatography–Orbitrap-MS/MS (UHPLC-Orbitrap-MS/MS), which was used to comprehensively characterize the antioxidant components ofPolygonum multiflorumThunb. leaves (PML) and screen for differential compounds in samples from different origins. Antioxidant components were screened using 2D-LC-ECD combined with in vitro radical scavenging experiments; structure identification was conducted via UHPLC-Orbitrap-MS/MS, and chemometric analysis alongside quantitative determination of 19 major components was carried out across 31 batches of samples. A total of 43 potential antioxidant compounds were identified from PML, including 11 phenolic acids, 29 flavonoids, 2 stilbene glycosides, and 1 amino acid; phenolic acids and their derivatives, along with flavonoids, were identified as major contributors to antioxidant activity. Hierarchical clustering analysis and principal component analysis both grouped samples into four categories by origin; the orthogonal partial least squares discriminant analysis model (R2X = 0.933, R2Y = 0.941, Q2= 0.846) screened 10 key markers (VIP > 1). The quantitative results showed that polygonacetophenoside had the highest content in PML. In summary, the 2D-LC-ECD coupled with LC-Orbitrap-MS/MS strategy confirmed that phenolic acids and flavonoids are the core material basis for PML’s antioxidant capacity, providing scientific evidence for the industrial development of PML as a natural antioxidant.
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产品关联
DOI
高影响因子
Food Chemistry-X
·
2026
·
IF 9.2
Hanxiu Deng,Shuteng Huang,Ruyue Zhang,Shengqian Sun,Xia Wei,Zijian Wang,Zhibin Wang,Jiayu Zhang
A traditional Botanical-Infused Chinese Fortified Wine-Guogong (BCFW) has a complex formula and diverse chemical composition. In this study, chemical profiling of BCFW was performed using UHPLC-Q-Exactive Orbitrap MS in both full-scan and complementary modes. A chemical database of BCFW was constructed from 30 botanical ingredients, with compounds identified through diagnostic ions and fragmentation patterns and further verified using literature sources. Headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) was employed to profile volatile organic compounds (VOCs) in both BCFW and base wine, and chemometric analysis revealed batch-to-batch variations. A total of 658 compounds were identified, including 590 non-volatile and 68 volatile constituents. HS-GC-IMS fingerprints revealed generally consistent VOC profiles across batches, with notable differences observed in S1, S7, and S10. This comprehensive chemical characterization of BCFW provides a valuable reference for quality assessment and control.
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Ying Wang,Xinhui Bi,Xuhui Huang,Dongmei Li,Lei Qin,Yuying Zhang
Due to the complexity of animal matrices and the different polarities of lipids, the measurement methods are expected to cover a comprehensive range of lipid species. Three extraction methods (chloroform/methanol, methyl tert -butyl ether, and Soxhlet methods) and three resuspension solvents (methanol, isopropanol/acetonitrile = 1:1, and isopropanol/acetonitrile = 9:1) were used to compare the lipid species, contents, and ionization efficiency of Spanish mackerel and duck muscles. Overall, the chloroform/methanol extraction method was the most effective in capturing a diverse array of lipid species. The redissolution solvent isopropanol/acetonitrile (1,1) was highly efficient for detecting triglycerides, while methanol was effective in detecting diacylglycerols and phospholipids. Optimizing the measurement conditions of lipids with different polarities provides a valuable reference for lipid extraction and structural elucidation in different muscle tissues. Furthermore, it supports the determination of differential markers for animal lipid metabolism studies or food authentication using an untargeted lipidomic approach.
研究领域:
分析化学
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生物化学
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产品关联
DOI
PubMed
高影响因子
CHEMISTRY & BIODIVERSITY
·
2020
·Vol. 17
·期 8
·e2000243
·
IF 2.039
Wenjing Yu,Kaiju Sun,Liying Zhang,Xilin Wan,Changbao Chen,Rui Su,Yifei Liu,Hongfeng Wang,Hongmei Yang
Squalene has been used as a dietary supplement for a long history due to its potential cancer-preventive function. However, the mechanism has not been investigated in detail yet. Therefore, the aim of this study is to see if the plasma coenzyme Q10 (CoQ10) level will be altered by gavage of squalene and oxidosqualenes to rats. In the present work, a sensitive and simple high-performance analytical method based on ultra-high-performance liquid chromatography coupled with an Orbitrap mass spectrometry (UPLC-Orbitrap-MS) was developed for the quantification of CoQ10 in rat plasma. Coenzyme Q9 (CoQ9) was employed as the internal standard. CoQ10 was determined after acetonitrile-mediated plasma protein precipitation using UPLC-Orbitrap-MS in negative ion mode. Intragastric administration of squalene and the two squalene epoxides into rats once daily for several days elevated the level of CoQ10 in their plasma, but there was no significant difference between high-dose (286 mg/kg) and low-dose (143 mg/kg) groups. Intragastric administration of squalene once a day for 5 consecutive days and oxidosqualenes once a day for 3 consecutive days is necessary for reaching the steady-state level of CoQ10. Our present findings indicate that squalene and oxidosqualenes may be useful for stimulating the synthesis of CoQ10 in rats.
研究领域:
药理学
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分析化学
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生物化学
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产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 40
·期 1
·e70270
·
IF 1.7
Yawen Li,Yishan Li,Kunping Yang,Wanjie Liu,Ming Yang,Shuo Wang,Wei Feng,Guangfu Lv,Jiaming Sun
To screen for anti-PMO active components in Cornus officinalis based on ERβ enzyme activity using affinity ultrafiltration and molecular docking techniques.ERβ enzyme and UHPLC-Q-Exactive Orbitrap MS were employed to analyze the anti-PMO activity and predict the components of different concentrations of ethanol extracts of C. officinalis . Molecular docking was used to verify the interaction mechanism between small molecule ligands and ERβ. The anti-PMO activity of the predicted components was further verified using MC3T3-L1 cells. The results showed that the ERβ enzyme can serve as a target enzyme for screening anti-PMO components. The 50% ethanol extract exhibited the best activity. UHPLC-Q-Exactive Orbitrap MS identified and analyzed 17 potential active components. Based on the binding rate and molecular docking results, the following three active components were identified: sweroside, 4-hydroxycinnamic acid, and cornuside. In vitro activity validation confirmed that these components have potential anti-PMO effects. The ERβ enzyme can be used as a potential target enzyme for screening anti-PMO active components in traditional Chinese medicine. The combination of affinity ultrafiltration and molecular docking provides an effective and rapid method for active component screening, offering valuable references for the targeted therapy, mechanism exploration, and quality control of traditional Chinese medicine.
研究领域:
生药学
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天然产物化学
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分子生物学
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中医药学
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药物发现
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产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2024
·
IF 7.7
Changyan Dong,Yi Cheng,Meihui Zhang,Mianhua Chen,Zhongli Yan,Sumei Zhou,BenxuYang,Qingbin Guo,Changlu Wang,Shufen Wu
In this study, four Monascus pigments (ankaflavin, AK; monascin MS; rubropunctatin, O 1 ; monascorubrin, O 2 ) were proved to exhibit considerable anti-glycation properties in bovine serum albumin (BSA)-fructose model. AK (40.62 %) and MS (48.38 %) were found to exert lower inhibitory effects on the formation of fluorescent advanced glycation end products (AGEs) than aminoguanidine (59.4 %), while O 1 (90.64 %) and O 2 (93.82 %) displayed much stronger abilities. AK and MS could trap methylglyoxal (MGO) with maximum capture rates of 85.67 % and 84.90 %, respectively, and only mono-MGO adducts of them were detected. LC-Orbitrap MS/MS analysis revealed that four pigments significantly altered the type and reduced the number of the glycated sites and they all covalently bound to BSA, with O 1 and O 2 possessing high reactivity. Altogether, AK and MS suppressed fluorescent AGEs formation mainly via trapping MGO and covalently interacting with BSA, and blocking free amino groups was the dominant mechanism for O 1 and O 2 . These findings presented new insights into Monascus pigments as dietary supplement for inhibiting protein glycation.
研究领域:
生物化学
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食品科学
·
药理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Analytical Methods in Chemistry
·
2022
·
IF 2.594
Shihan Qin,Mingjuan Liu,Sunv Tang,E. Shuai,Ziming Wang,Kaiquan Yu,Wei Cai
Diospyros lotus L, F. Ebenaceae, is an edible fruit that is widely distributed in China and other Asian countries. Presently, Diospyros lotus L can be used to treat patients with diabetes; however, its chemical composition and pharmacological profiles remain to be elucidated. This study investigated the potential bioactive compounds of Diospyros lotus L and their mechanisms of action using LC-MS and network pharmacology analysis. First, the components of Diospyros lotus L were identify using a reliable strategy for UHPLC-Q-Exactive Orbitrap mass spectrometry combined with parallel reaction monitoring (PRM) in the negative ion mode. Second, a network pharmacology study, including target gene prediction and functional enrichment, was applied to screen the main quality markers of Diospyros lotus L and explore its potential mechanism for the treatment of diabetes. The results showed that a total of 159 compounds were identified from Diospyros lotus L, among which, 140 were reported for the first time. Furthermore, 40 active components, such as quercetin, luteolin, and kaempferol, were proposed as active components of Diospyros lotus L for the treatment of diabetes based on network pharmacology analysis. In addition, 92 relevant antidiabetic targets were mainly related to positive regulation of transcription from the RNA polymerase II promoter, extracellular space, and protein binding, suggesting the involvement of TNF, PI3K-Akt, and HIF-1 signaling pathways in the antidiabetic effect of Diospyros lotus L. Our results may provide a useful approach to identify potential active components and molecular mechanisms of Diospyros lotus L for the treatment of diabetes.
研究领域:
药理学
·
分析化学
·
分子生物学
·
传统医学
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DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）