LWT-FOOD SCIENCE AND TECHNOLOGY
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2024
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IF 6
Ying Dong,Heng Wang,Guodong Li,Chuyang Wang,Liqiao Han,Zemin Wan,Jun Yan,Qiaoxuan Zhang,Min Zhan,Peifeng Ke,Haibiao Lin,Xinzhong Wu,Xianzhang Huang,Pengwei Zhang
Infant formula is prone to the Maillard reaction, forming early-stage Amadori products and advanced glycation end products (AGEs). Despite extensive research on protein-bound Amadori products and AGEs, studies on protein-unbound Amadori products in infant formula are limited. This study, for the first time, reveals that Amadori products derived from mono and oligohexose exhibit distinct MS/MS neutral loss patterns. Using these characteristics, a combined targeted and untargeted strategy for rapid and comprehensive analysis of mono- and oligohexose derived Amadori products was developed. A total of 40 protein-unbound Amadori products were identified, resulting from reactions between glucose, lactose, galactose, and 17 amino acids along with 3 other amino compounds. Novel Amadori products like fructosyl-O-phosphorylethanolamine/glycerophosphorylethanolamine and lactulosyl-O-phosphorylethanolamine/glycerophosphorylethanolamine were identified. Further comparative analysis of free Amadori product contents in 5 standard infant formula samples revealed significant variations. However, the levels of Amadori products and their corresponding precursor compounds showed no significant correlation. These findings offer valuable insights into the complexity and diversity of Amadori products in infant formulas. Moreover, the identified Amadori products show promise as potential markers for differentiating infant formulas from different manufacturers.
研究领域:
食品科学
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分析化学
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营养学
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产品关联
DOI
高影响因子
FOOD CHEMISTRY
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2021
·
IF 7.514
Qing Zheng,Zihao Wang,Ayuan Xiong,Yaru Hu,Ying Su,Kun Zhao,Yougui Yu
The oxygen-based oxidation process is leading toward the understanding of the flavour formation mechanism of aged Baijiu. However, the oxygen-based oxidation process in Baijiu aging is difficult to explore because of (1) the composition of Baijiu produced in different batches varies a lot and (2) the spontaneous oxidation needs several years or even decades to occur. Hence, the flavour formation mechanism of Baijiu aging was investigated using electrochemistry and UPLC-Q-Orbitrap-MS/MS, which enabled us to solve the two difficulties above. The oxidation reaction on gold surface could accelerate Baijiu aging by catalyzing the transformation from alcohols to acids. Although natural aging contributed more diverse compound changes to Baijiu, the oxygen-based oxidation process during natural aging was similar to that in the electrochemical oxidation as a whole. This study provides new insights to flavour formation mechanism of aged liquors and provides a new way for liquor-related enterprises to optimise the aging process.
研究领域:
食品科学
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化学
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分析化学
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电化学
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产品关联
DOI
PubMed
高影响因子
NEW JOURNAL OF CHEMISTRY
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2025
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IF 2.5
Yanru Liu,Ya Hu,Xiaoxia Xie,Gongjun Yang,Fang Feng
Wen-Pi-Tang (WPT), a Traditional Chinese Medicine (TCM) prescription, is commonly used to treat chronic renal failure. However, the material basis and potential mechanisms of WPT against chronic renal failure have not been clarified. UHPLC-Q-Exactive Orbitrap-MS was utilized in this work to investigate the chemical components of WPT and their prototypes or metabolites in vivo. 227 chemical compounds were identified in the WPT. Meanwhile, 56 exogenous components (24 prototype components and 32 metabolic components) were examined in rat plasma. Meanwhile, network pharmacology revealed that liquiritigenin-O-sulfate, 3-keto-18β-glycyrrhetinic acid, 22-hydroxy-18-β-glycyrrhetinic acid, and hydroxyliquiritigenin (B ring)-O-sulfate with related targets AKT1, EGFR, STAT3, ESR1, SRC, MAPK3, MTOR, and PIK3CA were considered as the effective components and core targets. Furthermore, the findings suggested that the therapeutic effects of WPT on chronic renal failure may be substantially influenced by the PI3K-Akt, HIF-1, and FoxO signaling pathways. The outcomes of molecular docking and molecular dynamics simulations indicate that the key targets have strong binding capacities with effective components. Our study offers a comprehensive method for examining the molecular foundation and underlying mechanisms of WPT against chronic renal failure, opening up new therapeutic opportunities.
研究领域:
中药学
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药理学
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代谢组学
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产品关联
DOI
高影响因子
Journal of Analytical Methods in Chemistry
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2021
·
IF 2.193
Gen Xue,Meijuan Zhu,Ning Meng,Jianli Guan,Jide Zhang,Jing Yang,Yuefei Wang,Ying Cui,Xin Chai
As a clinically effective traditional Chinese medicine injection (TCMI), Shuanghuanglian injection (SHLI) is widely used in the treatment of upper respiratory tract infection and pneumonia. However, the shortage of quality analysis is a limitation that remains to be improved in the clinical application of SHLI. In this study, taking advantage of ultra-high-performance liquid chromatography tandem Q-Exactive Orbitrap high-resolution mass spectrometry (UHPLC/Q-Orbitrap-MS), 31 chemical components (eight organic acids, eleven flavonoids, five iridoid glycosides, four phenylethanoid glycosides, and three lignans) in SHLI were characterized, among which 22 components were unambiguously identified by reference compounds. The brief prediction results of network pharmacology indicated that the 22 targeted components may have anti-inflammatory, antibacterial, antiviral, and immunomodulatory activities. Using multiwavelength switching method, the 22 targeted components were quantified by ultra-performance liquid chromatography with photodiode array detector (UPLC-PDA) after the methodological validation. Based on the successfully established method, the total content of 22 components in 20 batches of SHLIs was efficiently determined with a slight variation between 10.25 and 11.28 mg/mL, which accounted for 38.7% in total solid of SHLI. This study performed a reliable chemical identification and provided a rapid and effective method for quality analysis, which contributed to the in-depth investigation and application of SHLI.
研究领域:
药学
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分析化学
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中医药
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产品关联
DOI
PubMed
高影响因子
BIOORGANIC CHEMISTRY
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2024
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IF 4.5
Zhenwei Lan,Rui Yang,Hu Wang,Xingyang Xue,Yue Sun,Shumei Wang,Ying Zhang,Jiang Meng
Turmeric ( Curcuma longa ), a typical source with recognized anti-inflammatory activity, is one such medicine-food homology source, yet its anti-inflammatory mechanisms and specific component combinations remain unclear. In this study, a net fishing method combining bio-affinity ultrafiltration and ultra-high performance liquid chromatography-mass spectrometry (AUF-LC/MS) was employed and 13 potential COX-2 inhibitors were screened out from C. longa . 5 of them (C1, 17, 20, 22, 25) were accurately isolated and identified. Initially, their IC 50 values were measured (IC 50 of C1, 17, 20, 22 and 25 is 55.08, 48.26, 29.13, 111.28 and 150.48 μM, respectively), and their downregulation of COX-2 under safe concentrations (400, 40, 120, 50 and 400 μM for C1, 17, 20, 22 and 25, respectively) was confirmed on RAW 264.7 cells. Further, in transgenic zebrafish ( Danio rerio ), significant anti-inflammatory activity at safe concentrations (15, 3, 1.5, 1.5 and 3 μg/mL for C1, 17, 20, 22 and 25, respectively) were observed in a dose-dependent manner. More importantly, molecular docking analysis further revealed the mode of interaction between them and the key active site residues of COX-2. This study screened out and verified unreported COX-2 ligands, potentially accelerating the discovery of new bioactive compounds in other functional foods.
研究领域:
药理学
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分析化学
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分子生物学
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炎症研究
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2018
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IF 4.946
Yang Chen,Zong-cai Tu,Hui Wang,Guang-xian Liu,Zi-wei Liao,Lu Zhang
In general, the reducing sugars were extensively utilized as additives to prevent denaturation and inactivation during the freeze-drying process. However, different additives have unequal protective effects on the protein conformation. To evaluate the mechanism of protection the protein structure using different additives in the freeze-drying process, the glycated sites and degree of substitution per peptide (DSP) of each site were investigated by LC-Orbitrap MS. We found that the ovalbumin that was supplemented with ribose and then lyophilized (R-oval) have the highest extent of glycation modification. K227 was the most reactive glycated site in R-Oval, with a DSP of 0.83. The ovalbumin that was supplemented with lactose and then lyophilized (L-Oval) have the lowest degree of glycation, and K227 did not undergo the glycation reaction. It was hypothesized that the order impact of different additives on protection of the protein conformation were lactose > galactose > ribose during the freeze-drying process.
研究领域:
分析化学
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蛋白质化学
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药学
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DOI
PubMed
高影响因子
JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH
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2024
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IF 1.3
Cai-Yun Tian,Qing-Rui Yang,Ling-Xuan Fan,Yu-Mei Yang,Bo-Wen Gao,Jian-Bo Yang
Zhachong-13 pills (ZC-13), as a traditional prescription of Mongolian medicine, are often used in the clinical practice of Mongolian hospitals for the treatment of stroke and rheumatic arthritis. In this experiment, UHPLC-Q-Exactive Orbitrap MS was used to explore the chemical composition of ZC-13. The results showed that 315 compounds were identified or inferred, including 56 alkaloids, 77 2-(2-phenylethyl)chromones, 61 flavonoids, 31 tannins, 8 coumarins, 16 lignans, 21 terpenoids, 5 amino acids, 19 organic acids, and 21 other components. In addition, the pharmacological activities related to anti-cerebral ischemia of these components were summarized. This result laid a foundation for further study on the pharmacodynamic material basis of ZC-13 and provided a scientific basis for the formulation of ZC-13 quality specifications.
研究领域:
药理学
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分析化学
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传统医学
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药物化学
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产品关联
DOI
PubMed
高影响因子
Food Science & Nutrition
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2020
·Vol. 8
·期 11
·5811-5822
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IF 1.797
Ruiyi Fan,Cheng Peng,Xinxin Zhang,Diyang Qiu,Genlin Mao,Yusheng Lu,Jiwu Zeng
In this study, the non-targeted large-scale plant metabolomics (UPLC-Q-Orbitrap-MS) was performed for the comparison of chemical profiling of the leaves, barks, flowers, peels, pulps, and seeds of Clausena lansium (Lour.) Skeels (called “wampee”). A total of 364 metabolites were identified, and 62 potential biomarkers were selected by the multivariate statistical analysis. Hierarchical cluster analysis suggested that the selected biomarkers were significant differential metabolites among various parts of wampee. Metabolic pathway analysis showed a significant enrichment of the “Flavone and flavonol synthesis” and “Isoquinoline alkaloid biosynthesis” pathway. This study provides important information for the isolation and identification of functional components from different tissues of wampee and the metabolic biosynthesis pathway elucidation in detail.
研究领域:
植物代谢组学
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植物化学
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生物信息学
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代谢通路分析
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DOI
高影响因子
MICROCHEMICAL JOURNAL
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2023
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IF 4.8
Xican Li,Jingyuan Zeng,Rongxin Cai,Chunhou Li
Isomers distinction has become a bottleneck of the emerging ultra-high-performance liquid chromatography coupled with hybrid quadrupole-orbitrap tandem mass spectrometry (UHPLC-Q-orbitrap MS/MS) technology. The present study thus used Desmodium styracifolium as model plant to establish a new library-comparison method for isomers distinction. The method firstly established a data library comprising MS/MS characteristic fragment, MS/MS profile, and retention time (R.T.) value. Through subsequent comparisons, 22 phytophenol isomers in D. styracifolium have been simultaneously distinguished under MS spectra negative model. The results suggested that: (1) there were four main types of isomers, i.e., positional isomers, functional group isomers, skeleton isomers, and hybridized isomers. (2) The hybridized isomers (e.g., luteoloside and astragalin) could be easily distinguished, while positional isomers (e.g., schaftoside and isoschaftoside) were difficultly distinguished from each other. (3) The R.T. value comparison played a key role for distinction of highly similar isomers, especially positional isomers. On the basis of above results and computational chemistry, it is concluded that, the new UHPLC-Q-orbitrap MS/MS-based library-comparison method can be capable for isomers distinction and thus has developed the UHPLC-Q-orbitrap MS/MS technology. The development will benefit many fields, including food, herbal medicine, and analysis chemistry. Particularly, the data of 22 phytophenol isomers can be directly cited for their isomersdistinction in future by other researchers.
研究领域:
分析化学
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天然药物化学
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食品科学
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中药学
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产品关联
DOI
高影响因子
PHYTOMEDICINE
·
2024
·
IF 6.7
Zhihao Liu,Qixiang Shang,Huali Zuo,Haimeng Li,Daozheng Fang,Jiayu Zhang,Hsien-Da Huang,Daniel Granato,Jianping Chen,Jihang Chen
Background Type 2 diabetes mellitus (T2DM) is a chronic metabolic disorder characterized by elevated blood glucose levels, posing a significant global health concern due to its increasing prevalence. Insulin resistance (IR) plays a major role in the development of T2DM and is often linked to factors such as obesity, physical inactivity, and a sedentary lifestyle. Recently, there has been growing interest in exploring the potential of natural products for improving insulin sensitivity and glucose metabolism. Among these, Cynomorium songaricum Rupr., an edible parasitic plant, has shown promising antidiabetic effects. However, research on its beneficial effects on IR is still nascent. Therefore, this study aims to investigate the application of a Cynomorium songaricum flavonoid-enriched fraction (CSF) in the treatment of IR in T2DM, along with elucidating the chemical and biochemical mechanisms involved. Method First, UHPLC/ESI-LTQ-Orbitrap-MS was utilized to perform a chemical profiling of Cynomorium songaricum extract (CSF). Subsequently, glycogen synthesis, gluconeogenesis and glucose consumption assays were conducted on HepG2 cells with a high glucose high insulin -induced IR model to illustrate the favorable impacts of CSF on IR. Then, an innovative network pharmacology analysis was executed to predict the potential chemical components and hub genes contributing to CSF's protective effect against IR. To further elucidate molecular interactions, molecular docking studies were performed, focusing on the binding interactions between active constituents of CSF and crucial targets. Additionally, an RNA-sequencing assay was employed to uncover the underlying biochemical signaling pathway responsible for CSF's beneficial effects. To validate these findings, western blot and qPCR assays were employed to verify the pathways related to IR and the potential signaling cascades leading to the amelioration of IR. Results The UHPLC/ESI-LTQ-Orbitrap-MS analysis successfully identified a total of thirty-six flavonoids derived from CSF. Moreover, CSF was shown to significantly improve glycogen synthesis and glucose consumption as well as inhibit gluconeogenesis in HepG2 cells of IR. An innovative network pharmacology analysis unveiled key hub genes—AKT1 and PI3K—integral to metabolic syndrome-related signaling pathways, which contribute to the favorable impact of CSF against IR. Noteworthy active ingredients including quercetin, ellagic acid and naringenin were identified as potential contributors to these effects. The results of western blot and qPCR assays provided compelling evidence that CSF improved insulin sensitivity by modulating the PI3K-Akt signaling pathway. Subsequent RNA-sequencing analysis, in tandem with western blot assays, delved deeper into the potential mechanisms underlying CSF's advantageous effects against IR, potentially associated with the enhancement of endoplasmic reticulum (ER) proteostasis. Conclusion CSF exhibited a remarkable ability to enhance insulin sensitivity in the IR model of HepG2 cells. This was evident through enhancements in glycogen synthesis and glucose consumption, along with its inhibitory impact on gluconeogenesis. Furthermore, CSF demonstrated an improvement in the insulin-mediated PI3K-Akt signaling pathway. The potential active constituents were identified as quercetin, ellagic acid and naringenin. The underlying biochemical mechanisms responsible for CSF's beneficial effects against IR were closely linked to its capacity to mitigate ER stress, thereby offering a comprehensive understanding of its protective action.
研究领域:
药理学
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生物化学
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分子生物学
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糖尿病研究
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细胞生物学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2022
·
IF 5.895
Yaran Liu,Xu Qian,Jiangtao Xing,Na Li,Junlong Li,Qingyu Su,Yixin Chen,Bolin Zhang,Baoqing Zhu
This paper clarifies the contribution of lactones and volatile phenols to the aroma of nongrape wine. A target method for the simultaneous determination of these two kinds of volatiles in nongrape wines was developed using headspace-solid-phase microextraction (HS-SPME) combined with high-resolution gas chromatography-Orbitrap mass spectrometry (GC-Orbitrap-MS). A high-resolution mass spectrometry database including 12 lactones and 11 volatile phenols was established for qualitative accuracy. Different matrix-matched calibration standards should be prepared for specific samples due to the matrix effects. The method was successfully validated and applied in three nongrape wines. Hawthorn wine contained more lactones (δ/γ-hexalactone, δ/γ-nonalactone, δ/γ-decalactone, γ-undecalactone, δ/γ-dodecalactone, C10 massoia lactone, and whiskey lactone), while blueberry wine contained more volatile phenols (especially 4-vinylguaiacol and 4-ethylguiaiacol). Goji berry wines contained certain concentrations of δ-nonalactone, γ-nonalactone, δ-hexalactone, and 3-ethyl phenol. This study demonstrated that HS-SPME-GC-Orbitrap-MS can be applied for the accurate quantification of trace aroma compounds such as lactones and volatile phenols in fruit wines.
研究领域:
食品科学
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分析化学
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农学
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DOI
PubMed
高影响因子
Current Research in Food Science
·
2024
·
IF 6.2
Weibo Lu,Yunyan Li,Lijun Ge,Honghai Wang,Ting Liu,Qiaoling Zhao,Zhujun Mao,Jingjing Liang,Pingya Wang,Kang Chen,Jing Xue,Qing Shen
The authenticity of fish products has become a widespread issue in markets due to substitution and false labeling. Lipidomics combined with chemometrics enables the fraudulence identification of food through the analysis of a large amount of data. This study utilized ultra-high-performance liquid chromatography (UHPLC)-QE Orbitrap MS technology to comprehensively analyze the lipidomics of commercially available basa catfish and sole fish. In positive and negative ion modes, a total of 779 lipid molecules from 21 lipid subclasses were detected, with phospholipid molecules being the most abundant, followed by glycerides molecules. Significant differences in the lipidome fingerprinting between the two fish species were observed. A total of 165 lipid molecules were screened out as discriminative features to distinguish between basa catfish and sole fish, such as TAG(16:0/16:0/18:1), PC(14:0/22:3), and TAG(16:1/18:1/18:1), etc. This study could provide valuable insights into authenticating aquatic products through comprehensive lipidomics analysis, contributing to quality control and consumer protection in the food industry.
研究领域:
食品科学
·
分析化学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）