FOOD CHEMISTRY
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2022
·
IF 9.231
Jinxia Dai,Hui Lin,Yuning Pan,Yanmin Sun,Ye Wang,Jun-qin Qiao,Hong-zhen Lian,Chun-xiang Xu
Chlorpromazine (CPZ) is abused in animal husbandry and can be extensively metabolized in humans and animals. However, the actual monitoring mainly focuses on the parent compound but lacks attention to its metabolites. A method was developed and validated firstly for identification and determination of CPZ and its four major metabolites in animal-derived foods using ultrahigh-performance liquid chromatography coupled with quadrupole-Orbitrap mass spectrometry in combination with QuEChERS preparation method. Satisfactory recoveries of analytes spiked in fish and pork samples ranged from 72 to 117 %, and limits of quantification were 2.0 and 1.0 μg kg −1 for fish and pork samples respectively. Moreover, through the hydrolysis experiments of CPZ, its hydrolysates, such as CPZ-sulfoxide, CPZ- N -oxide and CPZ-sulfoxide- N -oxide, were identified as potential risk compounds. The developed method has been successfully applied to the determination of CPZ and its metabolites in actual commercial samples, as well as to the screening of other CPZ-related risk compounds.
研究领域:
食品安全
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分析化学
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药理学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Xiaomin Yang,Mengjie Zhang,Anastasios Koidis,Xiaodong Liu,Chuangzhong Guo,Zhenlin Xu,Xiaoqun Wei,Hongtao Lei
Currently, the identification and quantification of complex adulteration of high-value vegetable oils are still challenging. In this study, the extreme vertex design method was adopted to design representative multivariate adulterated camellia oil samples. Thereafter, 11 characteristic lipid species were identified by considering the statistically significant difference and categorical contribution. A discriminant method and linear regression model were established based on 11 key lipids. The accuracy rate of the model was 100 %, which could correctly discriminate the camellia oil with an adulteration ratio as low as 2.5 %. The root mean square error (RMSE) of the regression equation was close to 0, and the coefficient of determination (R 2 P ) was 0.9054. This method has been successfully applied to commercially available samples for validation purposes, detecting 27.3 % of camellia oil adulteration. Overall, the results indicate that the discriminating method and content prediction model can provide a potential strategy for authentication of multivariate vegetable oils.
研究领域:
食品科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
Food & Function
·
2021
·Vol. 12
·期 19
·8899-8906
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IF 5.396
Qing Zheng,Yaru Hu,Ayuan Xiong,Ying Su,Zihao Wang,Kun Zhao,Yougui Yu
Elucidating the organometallic interactions in Baijiu will promote a deeper understanding of the flavour formation mechanism during Baijiu aging. However, the organometallic interactions during aging are difficult to explore because the concentration and status of metals in Baijiu samples are affected by other substances (such as organic acids), and the concentrations of these substances also change dynamically. Hence, the flavour formation mechanism of aged Baijiu was investigated based on a multi-method analysis (i.e. electrochemistry, ICP-MS/OES, and UPLC-Q-Orbitrap-MS/MS), which enabled us to solve the difficulty above. The key finding is that, in the aging period, the organic acids induce the transformation of the metal ion state from the complex state to the free state. As a result, the flavour compound (i.e. the esters) contents in aged Baijiu are regulated by the free metal ion-catalyzed reactions.
研究领域:
食品科学
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分析化学
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金属有机化学
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产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2024
·
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
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
Food Science & Nutrition
·
2020
·Vol. 8
·期 11
·5811-5822
·
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
·
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
JOURNAL OF FOOD AND DRUG ANALYSIS
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2023
·
IF 3.6
Jingyuan Zeng,Xican Li,Rongxin Cai,Chunhou Li,Shaoman Chen
The study combined UHPLC-Q-Orbitrap-MS analysis with authentic standards, to create a novel strategy for isomers recognition and putative identification. Through the strategy, anti -Covid-19 Jinhua Qinggan Granule was found to comprise 28 isomers and 45 potential anti -Covid-19 constituents. The detection of three constituents (Danshensu, cryptotanshin, and tanshinone IIA) suggests Danshen as confidential additive. Based on this, 6 constituents are recommended as quality-marker candidates, including chlorogenic acid, acteoside, peimisine, baicalein, licoricesaponin H2, and tanshinone IIA. Obviously, the study can not only help the public to really understand the Granule’s formula and chemistry, but also facilitate its Pharmacopoeia collection in future.
研究领域:
中药化学
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分析化学
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药学
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产品关联
DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2022
·
IF 3.571
Jing Li,Xue Li,Xiaolei Liu,Xin Wang,Jie Li,Kexin Lin,Shuxin Sun,Hao Yue,Yulin Dai
Acute exacerbation of pediatric asthma (AEPA) has always been one of the most common reasons for children to visit the emergency department, whereas unified diagnostic criteria in the clinic are lacking. The purpose of this study was to determine potential biomarkers, and provide a basis for predictive and diagnostics AEPA. Urine samples were collected from 40 pediatric patients, including 19 patients with AEPA (PA) and 21 healthy controls (HCs). The samples were analyzed by high-performance liquid chromatography-quadrupole orbitrap mass spectrometry (HPLC-Q-Orbitrap-MS), and the data were statistically analyzed by principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Differential metabolites were selected by VIP (variable importance for the projection) > 1, and a p value ≤ 0.05 was used as the standard. The corresponding metabolic pathways of differential metabolites were subjected to analysis by the KEGG database, and further analysis and characterization of differential metabolites were conducted through the HMDB database. A total of 26 potential biomarkers were selected, of which 17 were found to be associated with respiratory diseases . Nine metabolites with obvious fluctuations in patients with AEPA, such as 13- L -hydroperoxylinoleic acid, gentisate aldehyde, L-3-phenyllactic acid, hydrocinnamic acid , and gentisic acid, could be used as potential biomarkers to further explore the prediction and diagnosis of AEPA for the first time. The contents of 3 potential biomarkers showed a positive correlation. Abnormalities in seven metabolic pathways, such as phenylalanine metabolism, tyrosine metabolism and beta-alanine metabolism, are also related to AEPA. This study further confirmed the reliability of this method to detect differences in urine metabolites of patients with AEPA. By monitoring the content of these 26 potential biomarkers and their related metabolic pathways, it provides a basis for further effective prediction and diagnosis of AEPA to avoid further development of this disease.
研究领域:
医学
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代谢组学
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儿科
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呼吸系统疾病
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DOI
PubMed
高影响因子
Journal of Analytical Methods in Chemistry
·
2026
·Vol. 2026
·期 1
·5782099
·
IF 2.2
Jia-Yi Wang,Yu-Feng Zou,Kai-Lin Li,Yi-Fan Chen,Ling Liu,Shu-Sen Wu,Hui Li
Cirsium japonicum , a traditional medicinal plant, has been widely used for its therapeutic properties in treating various ailments. However, a comprehensive analysis of its chemical composition remains limited, hindering a full understanding of its chemical basis and pharmacological activities. This study aims to identify and characterize the chemical constituents of C. japonicum using ultra-high-performance liquid chromatography coupled with quadrupole-Orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap MS) and parallel reaction monitoring (PRM). A total of 94 compounds were identified, including 57 organic acids, 25 flavonoids, 3 phenylpropanoids, and 9 other components, with chlorogenic acid dominating the organic acid fraction. Organic acids and caffeic acid, among organic acid compounds, exhibit hemostatic effects based on prior evidence. The UHPLC-Q-Exactive Orbitrap MS-based approach provided a detailed chemical profile of C. japonicum , which could facilitate a deeper understanding of its medicinal properties and guide future pharmacological studies. The identified compounds can be used as potential biomarkers for the standardization and quality control of medicinal products of C. japonicum .
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
·
2025
·
IF 5.4
Qinfeng Lu,Zhu Chen,Bai-Xiang Mu,Bo-Han Wang,Fanchao Feng,Jun Zhao,Hailang He,Yu Wei
Ethnopharmacological relevance COPD, marked by coughing, sputum production, and wheezing, is categorized as "Lung Distension" in Traditional Chinese Medicine (TCM). The combined use of Suzi Jiangqi Decoction and Sanzi Yangqin Decoction, known as Jia Wei Su Zi Jiang Qi Formula (JWSZJQF), is a common treatment for Lung Distension with phlegm accumulation in the lungs. It is particularly effective for symptoms like excessive phlegm and chest tightness. However, the specific active components of JWSZJQF and their molecular mechanisms in addressing mucus hypersecretion in COPD remain unclear, requiring further investigation and validation. Aim of the study This study aims to identify the potential targets and signaling pathways of JWSZJQF in treating COPD-associated mucus hypersecretion using UHPLC-Q-Orbitrap MS/MS, network pharmacology, and in vitro experimental verification. Materials and methods All plant names were verified through WorldFloraOnline ( www.worldFloraonline.org ) and MPNs ( http://mpns.kew.org ). First, the effective components of JWSZJQF were identified and analyzed using UHPLC-Q-Orbitrap MS/MS, supplemented by data from TCMSP. Network pharmacology analysis was used to determine the potential targets and pathways of JWSZJQF in COPD treatment. A mucus hypersecretion cell model was created using IL-17 cytokine, and the effectiveness of JWSZJQF in reducing mucus hypersecretion was assessed through immunofluorescence assay, Western blotting, and quantitative real-time polymerase chain reaction (qPCR). Lastly, a prospective study was conducted to collect data from 30 inpatients with AECOPD between September 2023 and July 2024. Serum samples before and after treatment were analyzed to validate the findings. Results A total of 864 active components were identified, with 79 potential COPD therapeutic targets confirmed based on the top 30 active components, including TNF, IL-6, and AKT1. The involved KEGG pathways included the IL-17 and NF-κB signaling pathways. In vitro experiments showed that JWSZJQF inhibited mucin (MUC5AC) secretion at both mRNA and protein levels. Additionally, JWSZJQF modulated i-κBα and p65 expression in the NF-κB pathway. Compared to the control group, patients treated with JWSZJQF exhibited lower levels of IL-17 and MUC5AC in their serum. Conclusion This study preliminarily explored the mechanisms of JWSZJQF in treating COPD-associated mucus hypersecretion through UHPLC-Q-Orbitrap MS/MS, network pharmacology, in vitro experiments, and clinical observation. The main active components and potential targets were identified, laying a scientific foundation for further research.
研究领域:
药理学
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民族药理学
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呼吸病学
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分子生物学
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网络药理学
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临床研究
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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）