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Foods · 2020 ·Vol. 9 ·期 6 ·770 · IF 4.092

Integrated Profiling of Fatty Acids, Sterols and Phenolic Compounds in Tree and Herbaceous Peony Seed Oils: Marker Screening for New Resources of Vegetable Oil

Xiaoqin Wang,Chunhuan Li,María del Mar Contreras,Vito Verardo,Ana María Gómez-Caravaca,Chen Xing

Tree peonies (Paeonia ostiiandPaeonia rockii) are popular ornamental plants. Moreover, these plants have become oil crops in recent years. However, there are limited compositional studies focused on fatty acids. Therefore, this work aims to reveal compositional characteristics, regarding fatty acids, sterols, γ-tocopherol and phenolic compounds, of tree peony seed oils from all major cultivation areas in China, and to compare with herbaceous peony seed oil. For that, an integrative analysis was performed by GC-FID, GC-MS and UHPLC-Q-TOF-MS technologies. The main fatty acid was α-linolenic acid (39.0–48.3%), while β-sitosterol (1802.5–2793.7 mg/kg) and fucosterol (682.2–1225.1 mg/kg) were the dominant phytosterols. Importantly, 34 phenolic compounds, including paeonol and “Paeoniaglycosides” (36.62–103.17 μg/g), were characterized in vegetable oils for the first time. Conclusively, this work gives new insights into the phytochemical composition of peony seed oil and reveals the presence of bioactive compounds, including “Paeoniaglycosides”.Keywords:tree peony seed oil;fatty acids;sterols;phenolic compounds;UHPLC-Q-TOF-MS/MS

研究领域: 植物化学 · 食品科学 · 分析化学
✓ 已验证 DOI PubMed 高影响因子
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FITOTERAPIA · 2025 · IF 2.6

Study on chemical composition, anti-inflammatory activity and quality control of the branch bark of Morus alba L.

Wenyuan Li,Lin Chen,Minpeng Li,Kaiye Peng,Xuemei Lin,Yifan Feng,Yun Zou,Xia Wu

In this study, the chemical constituents of branch bark and root bark of Morus alba L. were first qualitatively analyzed by UPLC-Q/TOF-MS. A total of 40 compounds were identified, including 20 flavonoids, 3 stilbenes, 1 phenolic acid, 1 alkaloid, 5 arylbenzofurans and 10 Diels-Alder adducts. Of these, 19 compounds were specific to the root bark, 10 to the branch bark, and 11 were common to both. Total phenolic and flavonoid contents were determined, and anti-inflammatory activities were evaluated. Ethyl acetate extracts of both significantly inhibited NO secretion, with the root bark showing a stronger effect than the branch bark. Chemical components of branch bark were further separated, and the anti-inflammatory activities of these isolated compounds were investigated. Eight compounds were isolated from the ethyl acetate extract of the branch bark of Morus alba L. . These compounds were able to inhibit the release of inflammatory factors, including NO, IL-6, and IL-1β, in a concentration-dependent manner. Among them, compounds SZP-1, SZP-6 and SZP-8 exhibited superior in vitro anti-inflammatory activity, comparable to the positive drug meloxicam at high concentrations. In addition, the quality standard of the branch bark of Morus alba L. was established for the first time according to the 2020 edition of the Chinese Pharmacopoeia. This study provides valuable insights into the medicinal value of the branch bark of Morus alba L. and promotes the comprehensive utilization of mulberry branch resources.

CAS / MDL: 71125-38-7
研究领域: 药理学 · 植物化学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2017 · IF 3.086

Profiling and quantification of phenolic compounds in Camellia seed oils: Natural tea polyphenols in vegetable oil

Xiaoqin Wang,Qiumei Zeng,María del Mar Contreras,Lijuan Wang

In Asia, tea seed oils (seed oils from Camellia oleifera , C. chekiangoleosa , and C. sinensis ) are used in edible, medicinal, and cosmetic applications. However, these oils differ in their fatty acid contents, and there is little known about their phenolic compounds . Here we analyzed the phenolic compounds of seed oils from three species gathered from 15 regions of China. Twenty-four phenolic compounds were characterized by HPLC-Q-TOF-MS, including benzoic acids (6), cinnamic acids (6), a hydroxyphenylacetic acid, flavanols (4), flavonols (3), flavones (2), and dihydroflavonoids (2). Some of these phenolic compounds had not previously been reported from C. sinensis (20), C. oleifera (15), and C. chekiangoleosa (24) seed oils. Quantification was done by HPLC-QqQ-MS using 24 chemical standards. The total concentrations in the studied samples ranged from 20.56 to 88.56   μg/g. Phenolic acids were the most abundant class, accounting for 76.2–90.4%, with benzoic acid, found at up to 18.87   μg/g. The concentration of catechins, typical of tea polyphenols, ranged between 2.1% and 9.7%, while the other flavonoids varied from 4.2% to 17.8%. Although the cultivation region affected the phenolic composition of the Camellia seed oils, in our hierarchical clustering analysis, the samples clustered according to species. The phenolic composition of the seed oils from C. oleifera and C. chekiangoelosa were similar. We found that the phenolic categories in Camellia seed oils were similar to tea polyphenols, thereby identifying a source of liposoluble tea polyphenols and potentially accounting for some of the reported activities of these oils. In addition, this work provides basic data that allows distinction of various Camellia seed oils, as well as improvements to be made in their quality standards.

研究领域: 植物化学 · 食品科学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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MOLECULES · 2022 ·Vol. 27 ·期 9 ·2865 · IF 4.927

Effect of Natural Antioxidants from Marigolds (Tagetes erecta L.) on the Oxidative Stability of Soybean Oil

Xiuqiong Huang,Wei Gao,Xuan Yun,Zhixing Qing,Jianguo Zeng

In recent years, synthetic antioxidants that are widely used in foods have been shown to cause detrimental health effects, and there has been growing interest in antioxidants realised from natural plant extracts. In this study, we investigate the potential effects of natural antioxidant components extracted from the forage plant marigold on the oxidative stability of soybean oil. First, HPLC-Q-TOF-MS/MS was used with 1,1-diphenyl-2-picrylhydrazyl (DPPH) to screen and identify potential antioxidant components in marigold. Four main antioxidant components were identified, including quercetagetin-7-O-glucoside (1), quercetagetin (2), quercetin (3) and patuletin (4). Among them, quercetagetin (QG) exhibited the highest content and the strongest DPPH radical scavenging activity and effectively inhibited the production of oxidation products in soybean oil during accelerated oxidation, as indicated by reductions in the peroxide value (PV) and acid value (AV). Then, the fatty acids and volatile compounds of soybean oil were determined with gas chromatography–mass spectrometry (GC-MS) and headspace solid-phase microextraction–gas chromatography–mass spectrometry (HS-SPME-GC-MS). A total of 108 volatile components, including 16 alcohols, 23 aldehydes, 25 ketones, 4 acids, 15 esters, 18 hydrocarbons, and 7 other compounds, were identified. QG significantly reduced the content and number of aldehydes and ketones, whereas the formation of acids and hydrocarbons was completely prevented. In addition, the fatty acid analysis demonstrated that QG significantly inhibited oxidation of unsaturated fatty acids. Consequently, QG was identified as a potential, new natural antioxidant that is believed to be safe, effective and economical, and it may have potential for use in plant extracts feed additives.Keywords:Tagetes erectaL.;quercetagetin;DPPH-HPLC-Q-TOF/MS;HS-SPME-GC-MS;oxidative stability

研究领域: 植物学 · 食品科学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF MASS SPECTROMETRY · 2021 ·Vol. 57 ·期 1 ·e4795 · IF 1.982

Metabolism of Du Zhong Formula in rats using UPLC-Q-TOF/MS

Lili Song,Hongqing Yin,Rui Han,Jingfang Li,Ningning Ma,Yan Wang,Hong Guo

Du Zhong Formula (DZF), a traditional Chinese medicine formula derived from BeiJiQianJinYaoFang, is used to treat kidney deficiency and lumbago. In this study, ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometer (UPLC-Q-TOF/MS) technique combined with pattern recognition analysis was applied for analysis of metabolic profiles of the bioactive components of the DZF in rat biological samples. In this experiment, a total of 73 compounds, including 53 prototype components and 20 metabolites, were identified tentatively in vivo compared with blank urine, plasma, feces, and cerebrospinal fluid (CSF). The prototype ingredients in DZF include terpenoids, gingerols, phenylpropanoids, alkaloids, phenanthrenes, bibenzyls, organic acids, and other ingredients. The metabolic pathways of DZF involved reduction, demethylation, hydroxylation, desugarization, deoxygenation, glucuronidation, sulfation, and methylation. The proposed method could develop an integrated template approach to analyze screening and identification of the bioactive components in plasma, urine, feces, and CSF after oral administration of herb medicines. Additionally, this investigation might provide helpful chemical information for further pharmacology and activity mechanism of DZF.

研究领域: 药理学 · 中医药 · 分析化学 · 代谢组学
✓ 已验证 DOI PubMed 高影响因子
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2014 · IF 3.107

Ionic Liquid-Based One-Step Micellar Extraction of Multiclass Polar Compounds from Hawthorn Fruits by Ultrahigh-Performance Liquid Chromatography Coupled with Quadrupole Time-of-Flight Tandem Mass Spectrometry

Shuai-Shuai Hu,Ling Yi,Xing-Ying Li,Jun Cao,Li-Hong Ye,Wan Cao,Jian-Hua Da,Han-Bin Dai,Xiao-Juan Liu

An ionic liquid (IL)-based one-step micellar extraction procedure was developed for the extraction of multiclass polar analytes (protocatechuic acid, chlorogenic acid, epicatechin, hyperoside, isoquercitrin, quercetin) from hawthorn fruits and their determination using ultrahigh-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UHPLC-Q-TOF/MS). Compared to conventional organic solvent extractions, this newly proposed method was much easier, more sensitive, environmentally friendly, and effective as well. Several important parameters influencing the micellar extraction efficiency are discussed, such as selection of ILs, surfactant concentration, and extraction time. Under the optimal conditions, good linearity was achieved for each analyte with correlation coefficients (r2) ranging from 0.9934 to 0.9999, and the recovery values ranged from 89.3 to 106% with relative standard deviations lower than 5.5%. Results suggest that the IL-based one-step micellar extraction could be an alternative and promising means in future food analysis.

研究领域: 分析化学 · 食品科学
✓ 已验证 DOI PubMed 高影响因子
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JOURNAL OF FOOD QUALITY · 2024 · IF 2.6

Characterization of the Universal Flavor in Chinese Butter Hotpot by Multiple Mass Spectrometry Detection Technology

Menglu Yang,Yuan Mei,Haimei Lai,Yali Wang,Yuli Huang,Xueqing Zeng,Lihong Ge,Nan Zhao

Hotpot provides a multilevel unique flavor experience and is preferred by consumers who value various taste preferences. In the present study, results showed that alcohols, phenols, hydrocarbons, and others were the commonly predominant volatiles in all butter hotpot samples (74.43%∼92.92%). However, there were merely 25 codetected compounds determined among a total of 318 aroma compounds because of the discrepant ingredients and processing technique of hotpot samples, which were sampled from several representative manufacturers. Therefore, for the first time, multiple GC-Q-TOF/MS and GC-Orbitrap-MS methods were performed to explore the more 44 potential aroma compounds of butter hotpot, in which alpha-terpinyl, acetate, nonanal, piperitone, and (E)-lignstilde could further cause the differences in flavor intensity of spices aroma, smell of grease, and roasted, charred, and nutty (). Linalool and nerol were the critical flavor precursors associated with ingredients and processing technic. Therefore, these results provide guidance for improving the butter hotpot formula and process technique.

CAS / MDL: 67-56-1
研究领域: 食品科学 · 分析化学
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MOLECULES · 2023 ·Vol. 28 ·期 5 ·2415 · IF 4.6

Isolation and Characterization of an Unknown Process-Related Impurity in Furosemide and Validation of a New HPLC Method

Ao Xu,Yunlin Xue,Yuyu Zeng,Jing Li,Huiling Zhou,Zhen Wang,Yin Chen,Hui Chen,Jian Jin,Tao Zhuang

Furosemide is a widely used loop diuretic in the treatment of congestive heart failure and edema. During the preparation of furosemide, a new process-related impurity G in the levels ranging from 0.08% to 0.13% was detected in pilot batches by a new high performance liquid chromatography (HPLC) method. The new impurity was isolated and characterized by comprehensive analysis of FT-IR, Q-TOF/LC-MS, 1D-NMR (1H,13C, and DEPT), and 2D-NMR (1H-1H-COSY, HSQC, and HMBC) spectroscopy data. The possible formation pathway of impurity G was also discussed in detail. Moreover, a novel HPLC method was developed and validated for the determination of impurity G and the other six known impurities registered in the European Pharmacopoeia as per ICH guidelines. The HPLC method was validated with respect to system suitability, linearity, the limit of quantitation, the limit of detection, precision, accuracy, and robustness. The characterization of impurity G and the validation of its quantitative HPLC method were reported for the first time in this paper. Finally, the toxicological properties of impurity G were predicted by the in silico webserver ProTox-II.Keywords:furosemide;process-related impurity;characterization;Q-TOF/LC–MS and NMR;method validation

研究领域: 药物化学 · 分析化学
✓ 已验证 DOI PubMed 高影响因子
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MOLECULES · 2023 ·Vol. 28 ·期 21 ·7320 · IF 4.6

Hydroxyethyl Cellulose-Based Hydrogels as Controlled Release Carriers for Amorphous Solid Dispersion of Bioactive Components of Radix Paeonia Alba

Abid Naeem,Chengqun Yu,Xiaoli Wang,Mingyan Peng,Yi Liu,Yali Liu

Radix Paeoniae Alba(RPA) has been used extensively in Chinese traditional medicine to treat gastrointestinal disorders, immune-modulating diseases, cancers, and numerous other conditions. A few of its active components include paeoniflorin, albiflorin, lactiflorin, and catechin. However, their therapeutic effectiveness is compromised by poor pharmacokinetic profiles, low oral bioavailability, short half-lives, and poor aqueous solubility. In this study, hydroxyethyl cellulose-grafted-2-acrylamido-2-methylpropane sulfonic acid (HEC-g-AMPS) hydrogels were successfully prepared for the controlled release ofRadix Paeonia Alba-solid dispersion (RPA-SD). A total of 43 compounds were identified in RPA-SD using UHPLC-Q-TOF-MS analysis. The hydrogel network formation was confirmed by FTIR, TGA, DSC, XRD, and SEM. Hydrogels’ swelling and drug release were slightly higher at pH 1.2 (43.31% swelling, 81.70% drug release) than at pH 7.4 (27.73% swelling, 72.46% drug release) after 48 h. The gel fraction, drug release time and mechanical strength of the hydrogels increased with increased polymer and monomer concentration. Furthermore, the hydrogels were porous (84.15% porosity) and biodegradable (8.9% weight loss per week). Moreover, the synthesized hydrogels exhibited excellent antimicrobial and antioxidative properties.Keywords:hydrogels;phytoconstituents;UHPLC-Q-TOF-MS;solid dispersion;traditional Chinese medicine;antimicrobial agents

CAS / MDL: 7631-90-5
研究领域: 药学 · 材料科学 · 传统医学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2024 · IF 6

Chemosensory analysis of condensed tannins and their astringency perception in Marselan, Cabernet Sauvignon and Merlot red wine during winemaking

Linna Song,Xiaohan Sun,Baohui Shi,Weiming Yang,Wen Ma

Condensed tannins are essential components in red wines, which not only contribute to their astringency effect but also determine wine quality. However, the evolution of tannins during vinification and wine aging remains unclear. Hence, this investigation analyzed the chemosensory characteristics of condensed tannins and their astringency perception in Marselan, Cabernet Sauvignon and MerlotCanalysis of condensed tannins and their astringency perception in Marselan, Cabernet Sauvignon and Merlotred wine during an industrial-scale winemaking procedure, via both non-targeted UPLC–Q-ToF and QDA techniques. The results indicated that Marselan exhibited the highest total tannins content, galloylation, prodelphinidins and astringency intensity among the three studied varieties. 13 tannins molecules were found to be the key molecule tannins (VIP>1) during Marselan aging evolution, whereas 14 and 15 molecule tannins were revealed as the key (VIP>1) in Cabernet Sauvignon and Merlot wines, respectively. Furthermore, the sensory results demonstrated that, after aging for 9 months, the astringency sub-quality of Merlot wine evolved at a slower rate than the other two. Additionally, astringency intensity was significantly positively ( p  < 0.001) correlated with total tannins, mDP, and (E)G% for all three varieties, while astringency sub-quality was significantly negatively ( p  < 0.001) correlated with total tannins and (E)G%, according to a correlation analysis of chemosensory metabolomic results. For Marselan, Cabernet Sauvignon, and Merlot, respectively, DP5-C, DP1-C, and the majority of key tannins (VIP>1) significantly adversely correlate with astringency sub-quality.

研究领域: 食品科学 · 感官分析 · 葡萄栽培学
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Metabolomics · 2022 ·Vol. 18 ·期 11 ·1-12 · IF 4.747

A metabolic biomarker panel of restless legs syndrome in peritoneal dialysis patients

Yang Bo,Yin Hongqing,Wang Jianwei,Gan Jiali,Li Jingfang,Han Rui,Pei Ming,Song Lili,Yang Hongtao

Background Restless legs syndrome (RLS) is a neuromotor disorder, and dialysis patients are more likely to develop RLS. RLS often causes sleep disorders, anxiety and depression in patients. It will increase the risk of death and severely affect the life of patients. At present, RLS has not received enough recognition and attention, and the misdiagnosis rate can reach more than 10%. Methods The discovery set selected 30 peritoneal dialysis (PD) patients and 27 peritoneal dialysis patients with RLS (PD-RLS). A metabolomics method based on ultra performance liquid chromatography tandem quadrupole time-of-flight mass spectrometric method (UPLC-Q-TOF/MS) was used to analyze the differential metabolites of the two groups. 51 PD patients and 51 PD-RLS patients were included in the validation set. The receiver operating characteristic (ROC) analysis was used to evaluate the early diagnostic biomarkers, and the correlation between the differential metabolites and laboratory test indexes was analyzed to explore the biological function of the differential metabolites. Results Through the integrated analysis, four metabolites can be used as markers for the diagnosis of PD-RLS, including Hippuric acid, Phenylacetylglutamine, N,N,N-Trimethyl-L-alanyl-L-proline betaine and Threonic acid. Through ROC analysis, it is found that they can be used as a metabolic biomarker panel, and the area under the curve of this combination is more than 0.9, indicating that the panel has good diagnostic and predictive ability. Conclusion Metabolomics based on UPLC-Q-TOF/MS technology can effectively identify the potential biomarkers, and provide a theoretical basis for the early diagnosis, prevention and treatment on PD-RLS.

研究领域: 医学 · 代谢组学
✓ 已验证 DOI PubMed 高影响因子
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Separations · 2022 ·Vol. 9 ·期 6 ·140 · IF 3.344

Quantitative Analysis of Anthocyanins in Grapes by UPLC-Q-TOF MS Combined with QAMS

Xue Li,Wei Wang,Suling Sun,Junhong Wang,Jiahong Zhu,Feng Liang,Yu Zhang,Guixian Hu

A method for quantifying the anthocyanins in grapes was firstly developed by ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-Q-TOFMS) combined with quantitative analysis of multi-components by single marker (QAMS). A total of 10 main anthocyanins were analyzed by using peonidin 3-O-glucoside as the reference standard. The accuracy of this method was evaluated by an established and validated external standard quantification method with 10 reference compounds. The standard method difference (SMDs) of the quantification results between QAMS and the external standard methodwasless than 15%. Furthermore, the QAMS method was used to analyzefour batches of grapes and the data was compared with those obtained using the external standard method. No significant difference wasobtained in the results obtained by both methods. These results indicated that the QAMS method could accurately determine the anthocyanins in grapes. This method can provide a basis to address the absence of reference standards for analyzing anthocyanins in other foods.

研究领域: 食品科学 · 分析化学 · 植物学
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