Food Bioscience
·
2024
·
IF 4.8
Wenwen Lv,Xinxin Jiao,Zhiwen Zhang,Luocheng Zhang,Jingyi Song,Hua Wu,Junsong Xiao
DHA with varying degrees of oxidation was obtained by the Schaal oven acceleration method. Then, the temporal changes in free radicals, volatile compounds, and carbonyl compounds in oxidized DHA was analyzed using HS-SPME-GC-MS, the content of which were increased with the oxidation time. RAW264.7 macrophages were used to evaluate the effects of DHA oxidation products on the oxidative stress, gene and protein expression of inflammatory factors at different oxidation times. With the increase of oxidation time, oxidized DHA stimulated cells with significantly higher levels of reactive oxygen species (ROS), nitric oxide (NO) and malondialdehyde (MDA), while superoxide dismutase (SOD) activity was significantly inhibited. It also stimulated a significant increase in the expression of tumor necrosis factor-α (TNF-α), interleukin (IL-1β) and inducible nitric oxide synthase (iNOS), which exacerbated the cellular inflammatory response. Data on DHA oxidation products were analyzed using OPLS-DA. The compound (E,E)-2,4-heptadienal was identified as a potential differential metabolite capable of distinguishing among six oxidation time points. Furthermore, the pro-inflammatory effects of oxidized DHA were accurately predicted using partial least squares regression (PLSR) and support vector regression (SVR) models. This study established a correlation between volatile oxidation products and their potential pro-inflammatory effects, which were readily detectable through high-throughput assays. It thereby provided a rapid and reliable method for assessing the predicted bioactivity of DHA at varying levels of oxidation.
研究领域:
营养学
·
生物化学
·
免疫学
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产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Ligang Yu,Ying Pang,Guang Shen,Baoqing Bai,Yukun Yang,Maomao Zeng
This work aimed to investigate the effects of frozen storage on volatile compounds of white meats (chicken and duck) and red meats (pork, beef, and mutton). The samples were stored at −18 °C for 0, 2, 4, 10, 18 weeks, and volatile compounds were analyzed by headspace solid-phase microextraction coupled with gas chromatography–mass spectrometry. Results indicated that the total amounts of volatile compounds increased with frozen storage duration of meats. The correlations were observed between frozen storage duration and levels of 2-ethyl-1-hexanol, tetradecane, nonanal, decanal, octanal, tridecanal, benzaldehyde, pentadecane, propanoic acid,2-methyl-,3-hydroxy-2,2,4-trimethylpentyl ester, heptadecane, and hexanal ( r = 0.7456–0.9873). Levels of octanal and propanoic acid,2-methyl-,3-hydroxy-2,2,4-trimethylpentyl ester in white meat and benzaldehyde in red meat versus frozen storage duration fitted very well with zero-order reactions. Therefore, it was concluded that changes in volatile compounds derived from lipid oxidation may be used as indicators of quality deterioration during frozen storage of meat.
研究领域:
食品科学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2022
·Vol. 23
·期 23
·14903
·
IF 6.208
Henan Shi,Zhuqing Wang,Fujie Xu,Jialin Li,Jing Li,Manyuan Wang
In 1972, Nobel laureate Youyou Tu’s research team conducted clinical trials on the dried material ofArtemisia annuaL. from Beijing extracted by ether and then treated with alkali (called “ether neutral dry”), which showed that artemisinin was not the only antimalarial component contained. The biosynthesis of sesquiterpenoids inA. annuahas increased exponentially after unremitting cultivation efforts, and the plant resources are now quite different from those in the 1970s. In consideration of emerging artemisinin resistance, it is of great theoretical and practical value to further study the antimalarial activity ofA. annuaand explore its causes. The purpose of this study is to clarify scientific questions, such as “What ingredients are synergistic with artemisinin inA. annua?”, and “Are there non-artemisinin antimalarial ingredients inA. annua?”. In this paper, Beijing wildA. annuawas used as a control and two representative cultivation species ofA. annuawere selected to evaluate the antimalarial activity of the herbal medicine. The antimalarial activity of different extracts on mice was studied using the Peters’ four-day suppressive test. UPLC-Q-TOF-MS was used to obtain mass spectrum data for all samples, and a UNIFI platform was used for identification. A multivariate statistical method was used to screen the different compounds with positive correlations. The antimalarial activity of different components from the ether extract and alkali treatments was determined and antimalarial components other than artemisinin were obtained. A total of 24 flavonoids, 68 sesquiterpenoids and 21 other compounds were identified. Compounds associated with differential antimalarial activity were identified. The material basis for the antimalarial activity ofA. annuawas clarified. The antimalarial components ofA. annuainclude two categories: first, artemisinin and non-artemisinin antimalarial active components, of which the non-artemisinin antimalarial active components may include 5α-hydroperoxy-eudesma-4(15),11-diene; second, several antimalarial synergistic ingredients inA. annua, including arteanniun B, arteanniun B analogues and polymethoxy flavonoids.Keywords:Artemisia annuaL.;synergistic effect;antimalarial;UPLC-Q-TOF-MS;OPLS-DA
研究领域:
药理学
·
代谢组学
·
药物化学
·
植物科学
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DOI
PubMed
高影响因子
Foods
·
2023
·Vol. 12
·期 7
·1455
·
IF 5.2
Junting Yu,Zhilei Zhou,Xibiao Xu,Huan Ren,Min Gong,Zhongwei Ji,Shuangping Liu,Zhiming Hu,Jian Mao
Huangjiuis one of the oldest alcoholic beverages in the world. It is usually made by fermenting grains, and Qu is used as a saccharifying and fermenting agent. In this study, we identified differential carbonyl compounds inHuangjiuwith varying sugar contents from different regions. First, we developed and validated a detection method for volatile carbonyl compounds inHuangjiu, and for optimal extraction, 5 mL ofHuangjiuand 1.3 g/L of O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride (PFBHA) were incubated at 45 °C for 5 min before extracting the volatile carbonyl compounds at 45 °C for 35 min. Second, the targeted quantitative analysis of 50 carbonyl compounds inHuangjiushowed high levels of Strecker aldehydes and furans. Finally, orthogonal projections to latent structures discriminant analysis (OPLS-DA) was used to differentiate betweenHuangjiuwith different sugar contents, raw materials, and region of origin. A total of 19 differential carbonyl compounds (VIP > 1,p< 0.05) were found inHuangjiuwith different sugar contents (semidry and semisweetHuangjiu), and 20 differential carbonyl compounds (VIP > 1,p< 0.05) were found in different raw materials forHuangjiuproduction (rice and nonriceHuangjiu). A total of twenty-two and eight differential carbonyl compounds, with VIP > 1 andp< 0.05, were identified in semidry and semisweetHuangjiufrom different regions (Zhejiang, Jiangsu, Shanghai, and Fujian), respectively.Keywords:Huangjiu;carbonyl compounds;PFBHA;targeted metabolomics;OPLS-DA
研究领域:
食品科学
·
分析化学
·
代谢组学
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产品关联
DOI
PubMed
高影响因子
Foods
·
2025
·Vol. 14
·期 19
·3381
·
IF 5.1
Jiaqi Liu,Hao Duan,Li Wang,Rui Qin,Jiao Liu,Hong Liu,Shuyuan Bao,Wenjie Yan
This study aimed to systematically characterize the volatile organic compound (VOC) profiles of safflower (Carthamus tinctoriusL.) from eight major production regions, providing a scientific basis for quality evaluation and geographical traceability. VOC profiling was conducted using gas chromatography–ion mobility spectrometry (GC–IMS), and regional differences were assessed through multivariate statistical analyses, including Principal Component Analysis (PCA), Orthogonal Partial Least Squares Discriminant Analysis (OPLS–DA), Euclidean distance, and hierarchical clustering. Key differential compounds were identified by variable importance in projection (VIP) and relative odor activity value (ROAV) analyses, with aldehydes and esters emerging as the primary contributors to the discrimination of samples across regions. VOC fingerprints of safflower were further established, and a combined VIP–ROAV strategy was proposed for the screening of characteristic compounds. These findings provide a reliable reference for safflower quality control and offer practical guidance for its geographical authentication in the food industry.
研究领域:
植物化学
·
代谢组学
·
食品科学
·
分析化学
·
天然产物化学
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质量控制
·
地理标志产品
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产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2023
·
IF 6
Zhichao Xiong,Wanzhen Feng,Dongzhou Xia,Jixin Zhang,Yuming Wei,Tiehan Li,Junlan Huang,Yujie Wang,Jingming Ning
The authenticity of the geographical origin of agricultural products has received widespread attention. Tea tree varieties, processing processes and origins influence the quality and price of raw pu-erh tea (RPT). This study distinguished RPT from 10 different production areas through headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) combined with orthogonal partial least squares–discriminant analysis (OPLS-DA) model and machine learning algorithms. Among the thirty-five types of common volatiles identified, pentanal, heptanal, naphthalene, cedrol, and 2,6-di- tert -butylbenzoquinone were considered the key differential compounds distinguishing the 10 different production areas of the RPT samples through the screening of variable importance in projection values of the OPLS-DA and coefficient weights of the linear discriminant analysis function. Among them, heptanal and 2,6-di- tert -butylbenzoquinone had the highest content in West of Bingdao and the lowest content in Nannuoshan. The random forest algorithm achieved a discrimination accuracy of 98.4% based on the discrimination of five key compounds in 63 RPT samples. The random forest model was demonstrated to be reliable and valid by using receiver operating characteristic curves (area under the curve = 0.7603). The study results serve as a reference for the differentiation of 10 production areas of RPT.
研究领域:
食品科学
·
分析化学
·
机器学习
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产品关联
DOI
高影响因子
MOLECULES
·
2024
·Vol. 29
·期 3
·567
·
IF 4.2
Yayun Guo,Zhe Wang,Yi He,Huanhuan Gao,Hongmei Shi
Aspergillus carbonariusis known to produce the carcinogenic ochratoxin A (OTA) in grapes. The metabolism process before OTA biosynthesis influences the content and composition of the volatile compounds in grapes. In this study, a self-established method based on QuEChERS coupled with high-performance liquid chromatography–fluorescence detection (HPLC-FLD) was used to determine the OTA levels during a seven-day contamination period. The results showed that OTA was detected on the second day after contamination withA. carbonarius. Thus, the first day was considered as the critical sampling timepoint for analyzing the volatiles in grapes before OTA biosynthesis. Additionally, the volatile compounds in grapes were analyzed using headspace solid-phase microextraction gas chromatography–mass spectrometry (HS-SPME-GC-MS) and dispersive liquid–liquid microextraction gas chromatography–mass spectrometry (DLLME-GC-MS). The corresponding data were evaluated via multivariate data analysis using projection methods, including PCA and OPLS-DA. The results indicated significant differences in the nine volatile compounds in grapes contaminated withA. carbonariusbefore OTA biosynthesis. The results of the Pearson correlation analysis showed positive correlations between ethyl acetate, styrene, 1-hexanol and OTA; (E)-2-hexenal and nerolic acid were negatively correlated with OTA. Overall, these findings provide a theoretical basis for the early prediction of OTA formation in grape and grape products using GC-MS technology.Keywords:volatile compounds;Ochratoxin A;QuEChERS-HPLC-FLD;HS-SPME-GC-MS;DLLME-GC-MS;OPLS-DA
研究领域:
食品科学
·
真菌学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
Frontiers in Plant Science
·
2025
·
IF 4.8
Xiaowei Zhang,Tianyu Dong,Dan Chen,Haowei Sun,Anchuan Xu,Chunqiong Wang,Dan Li,Jieyun Cai,Lingduo Bu,Ke Zhang,Haitao Chen
The flavor of cigar smoke directly influences the consumer’s willingness to purchase. However, the analysis of cigar smoke was lack. In this research, a total of 235 volatile compounds were identified by GC×GC-TOFMS in cigar smoke from Yuxi, Dehong and Pu’er regions of Yunnan, including 72 alkenes, 47 aromatic hydrocarbons, 42 heterocyclics, 28 ketones, 8 alcohols, 4 aldehydes, 3 esters, 13 phenols, 5 acetonitrile and 13 others. ROAV analysis indicated that o-cresol, guaiacol, 2,6-dimethyl-phenol, 4-hydroxy-3-methoxystyrene, (E,E)-2,4-hexadienal, butylbenzene, naphthalene, nicotine and D-limonene might be the key flavor compounds. By OPLS-DA, 2-methyl-pyridine, 2,4-dimethylfuran, 2-carene, 13-heptadecyn-1-ol, 1-ethyl-2-methyl-benzene, 2,3,5,8-tetramethyl-1,5,9-decatrien, 1-ethyl-4-methyl-benzene, β-elemene, methyl isobutyl ketone and 3-methylcyclopentanone were found to be the differential volatiles distinguishing samples from different areas. Eventually, 5 groups of potential flavor precursors were summarized and identified (cembranoid, phenylalanine, chlorophyll, carotenoid and reducing sugar). This research has provided theoretical guidance for the improvement of flavor quality of cigar smoke in Yunnan.
研究领域:
分析化学
·
食品科学
·
烟草化学
·
代谢组学
·
风味化学
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产品关联
DOI
PubMed
高影响因子
Foods
·
2025
·Vol. 14
·期 11
·1966
·
IF 5.1
Yu Zhao,Rui Yang,Wei Wang,Tongle Sun,Xinyao Han,Mingxun Ai,Shihao Huang
The fermentation of prune juice significantly enhances its nutritional profile, antioxidant capacity, and flavor characteristics. In this study,Non-Saccharomyces cerevisiaeandLactiplantibacillus plantarumwere used to co-ferment prune juice to systematically investigate the dynamic changes in physicochemical properties and antioxidant activity during fermentation. The evolution of volatile compounds across fermentation stages was analyzed using gas chromatography–ion mobility spectroscopy (GC-IMS) combined with chemometric methods, including principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). The results showed that after fermentation, the total acidity (TA), total phenolic content (TPC), and total flavonoid content (TFC) increased by 37.35%, 20.28%, and 28.95%, respectively. Meanwhile, the pH, total soluble solids (TSS), and reducing sugars (RS) decreased by 16.87%, 23.36%, and 39.94%, respectively. Additionally, the DPPH radical scavenging capacity and ABTS radical scavenging capacity improved by 76.16% and 57.25% during fermentation process. A total of 37 volatile compounds were identified across the four fermentation stages of prune juice (PJ). These compounds included 14 esters, 8 alcohols, 7 aldehydes, 4 terpenoids, 3 ketones, and 1 amine. Considerable quantities of organic acids and free amino acids were detected in samples from all fermentation phases. Among these, lactic acid, citric acid, and D-glucuronic acid exhibited significant increases in their concentration (p< 0.05). In the free amino acid profile of fermented prune juice (FPJ), asparagine was the most abundant component, followed by glutamine and proline.
研究领域:
食品科学
·
微生物学
·
生物化学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
Foods
·
2025
·Vol. 14
·期 14
·2441
·
IF 5.1
Erlin Zhai,Jing Zhang,Jiancai Zhu,Rujuan Zhou,Yunwei Niu,Zuobing Xiao
Lard imparts unique organoleptic properties that underpin its essential role in Chinese gastronomy; however, the specific lipid precursors contributing to its aroma remain unclear. This study explores the flavor formation mechanism of lard by comparing its texture and aroma at two preparation temperatures, 130 °C and 100 °C. We identified a total of 256 and 253 lipids at these temperatures, respectively, with triacylglycerols (TGs) and diacylglycerols (DGs) being the predominant lipid species. An HS-GC-IMS analysis detected 67 volatile compounds, predominantly aldehydes, acids, and alcohols. A subsequent Orthogonal Partial Least Squares-Discriminant Analysis (OPLS-DA) identified 49 discriminatory lipids and 20 differential volatiles. A correlation analysis showed a positive relationship between aldehydes and unsaturated triglycerides in lard, with TG (16:1-16:1-18:0), TG (17:2-18:1-18:1), TG (16:1-17:1-18:1), and TG (18:1-18:1-20:1) identified as characteristic markers at both temperatures. Furthermore, there was a positive correlation between ketones and alcohols and phospholipids and sphingolipids containing unsaturated fatty acid chains. TGs and glycerophospholipids (GPs), rich in polyunsaturated fatty acids, are likely key precursors driving the formation of distinct flavors during lard processing. This study elucidates the mechanistic interactions between lipids and volatile organic compounds, providing a framework for optimizing lard processing protocols and flavor modulation.
研究领域:
食品化学
·
脂质科学
·
风味化学
·
分析化学
·
食品加工
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产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2023
·
IF 8.1
Xiao-Li Yin,Zhi-Xin Peng,Yuan Pan,Yi Lv,Wanjun Long,Hui-Wen Gu,Haiyan Fu,Yuanbin She
Wine is a very popular alcoholic drink owing to its health benefits of antioxidant effects. However, profits-driven frauds of wine especially false declarations of variety frequently occurred in markets. In this work, an UHPLC-QTOF-MS-based untargeted metabolomics method was developed for metabolite profiling of 119 bottles of Chinese red wines from four varieties (Cabernet Sauvignon, Merlot, Cabernet Gernischt, and Pinot Noir). The metabolites of red wines from different varieties were assessed using orthogonal partial least-squares discriminant analysis (OPLS-DA) and analyzed using KEGG metabolic pathway analysis. Results showed that the differential compounds among different varieties of red wines are mainly flavonoids, phenols, indoles and amino acids. The KEGG metabolic pathway analysis showed that indoles metabolism and flavonoids metabolism are closely related to wine varieties. Based on the differential compounds, OPLS-DA models could identify external validation wine samples with a total correct rate of 90.9% in positive ionization mode and 100% in negative ionization mode. This study indicated that the developed untargeted metabolomics method based on UHPLC-QTOF-MS is a potential tool to identify the varieties of Chinese red wines.
研究领域:
食品科学
·
分析化学
·
代谢组学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2024
·
IF 5.7
Jia-Nuo Zhang,Zhi-Dong Pei,Wen-Yu Wang,Ming-Yue Zhao,Wen-Han Pei,Hui Zhang,Hai-Bo Yin,Tian-Min Wang,Gui-Zhong Xin,Ming Xie,Ting-Guo Kang,Yue-Hua Chen,Hui-Peng Song
Zanthoxyli radix is a popular tea among the elderly, and it is believed to have a positive effect on Alzheimer’s disease. In this study, a highly effective three-step strategy was proposed for comprehensive analysis of the active components and biological functions of Zanthoxylum nitidum (ZN), including high-resolution LC-Q-TOF mass spectrometry (HRMS), multivariate statistical analysis for heterogeneity (MSAH), and experimental and virtual screening for bioactivity analysis (EVBA). A total of 117 compounds were identified from the root, stem, and leaf of ZN through HRMS. Bioactivity assays showed that the order of acetylcholinesterase (AChE) inhibitory activity from strong to weak was root > stem > leaf. Nitidine, chelerythrine, and sanguinarine were found to be the main differential components of root, stem, and leaf by OPLS-DA. The IC50 values of the three compounds are 0.81 ± 0.02, 0.14 ± 0.01, and 0.48 ± 0.01 μM respectively, indicating that they are potent and high-quality AChE inhibitors. Molecular docking showed that pi-pi T-shaped interactions and pi-lone pairs played important roles in AChE inhibition. This study not only explains the biological function of Zanthoxyli radix in alleviating Alzheimer’s disease to some extent, but also lays the foundation for the development of stem and leaf of ZN.
研究领域:
药理学
·
分析化学
·
神经科学
·
植物科学
✓ 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）