FOOD CHEMISTRY
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2025
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IF 9.8
Shenxiong Chen,Yi Yuan,Fan Zhang,Shiye Lin,Pengren Zou,Mohamed A. Farag,Jesus Simal-Gandara,Hui Cao,Jianbo Xiao
Grape seed wastes are a rich source of bioactive polyphenols. This study compares the recovery efficiency of traditional maceration extraction (ME) with modern extraction techniques (ultrasound-assisted extraction (UAE), microwave-assisted extraction (MAE), and accelerated solvent extraction (ASE)), revealing the selective extraction of polyphenolic compounds by different methods. UPLC-ESI-MS/MS analysis was used to identify and quantify 24 polyphenols. ASE showed the highest efficiency for phenolic acids (e.g., gallic acid, 231.75 μg/g) and proanthocyanidins (e.g., procyanidin B1, 126.18 μg/g), while MAE was optimal for flavonoids recovery (e.g., myricetin, 41.52 μg/g). Multivariate chemometric analysis revealed co-extraction patterns among structurally related compounds (e.g., flavan-3-ols with galloylated derivatives), linking extraction parameters to the selectivity of polyphenols. Integrating UPLC-ESI-MS/MS profiling of 24 polyphenols, we suggest that MAE/ASE is most suitable for antioxidant-rich nutraceuticals, while ME is optimal for thermally labile pharmaceuticals. This study provides practical strategies for the sustainable utilization of grape seed by-products, offering industry-specific solutions to reduce waste and improve the recovery of bioactive compounds.
研究领域:
食品科学
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分析化学
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植物化学
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DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2024
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IF 6
Wen Ouyang,Jingming Ning,Xizhe Zhu,Yongwen Jiang,Jinjin Wang,Haibo Yuan,Jinjie Hua
Fixation is crucial for green tea quality; previous studies were conducted on finished teas and focused on the volatile metabolites of green tea. However, non-volatile metabolites’ (NVMs) evolution and formation mechanisms during fixation remain unclear. Here, fixated tea samples were collected at seven different time points during the green tea fixation stage, the dynamic changes and formation mechanisms of NVMs investigated via ultra-performance liquid chromatography-tandem mass spectrometry and enzymatic activity analyses. The results showed that fixation contained enzymatic activity thermal and non-enzymatic thermal stages. Moreover, 1196 NVMs (10 classes) were detected, and significant NVM variations were observed during the "enzymatic activity thermal" fixation stages, with increasing trends in lipids and amino acids, except alkaloids. Furthermore, 160 common differential NVMs were identified. KEGG analysis revealed that unsaturated fatty acid, linoleic acid phenylpropanoid, and flavonoid metabolism pathways were essential during fixation and influenced green tea aroma, taste, and color formation. These results provide a theoretical basis to regulate green tea fixation technology and enrich the chemical theory of green tea processing.
研究领域:
食品科学
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分析化学
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植物代谢
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茶叶加工
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DOI
高影响因子
Food & Function
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2022
·Vol. 13
·期 11
·6419-6432
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IF 6.317
Furong Wang,Pengze Rong,Juan Wang,Xiao Yu,Na Wang,Shengyu Wang,Zikai Xue,Junnan Chen,Wenlong Meng,Xin Peng
Osteoporosis (OP) is characterized by the flaccidity of bones or bone bi-disease caused by kidney deficiency. Lindera aggregate has been used to strengthen kidney function in China for thousands of years. It has been approved by Chinese Pharmacopoeia that the root of Lindera aggregata (RLA) can replenish and tonify the kidney, which is thought to be an effective way to alleviate OP. In this study, a network pharmacology approach was applied to explore the active components and potential mechanisms of RLA in osteoporosis treatment. Then, the ethanolic extract of the root of L. aggregata (EERL) was prepared and these predicted results were validated by prednisone-induced zebrafish embryos model. Moreover, the candidate compounds were identified by UPLC-ESI-MS/MS. The anti-OP results showed that EERL could significantly reverse the bone loss of zebrafish induced by prednisone. The mRNA expressions results showed that EERL decreased osteoclast bone resorption by regulating the RANK/RANKL/OPG system. Also, it increased bone formation by regulating the gene expressions of spp1, mmp2, mmp9, runx2b, alp, and entpd5a. Our results demonstrated the reliability of the network pharmacology method, and also revealed the anti-OP effect and potential mechanism of RLA.
研究领域:
药理学
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分子生物学
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中医药学
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斑马鱼研究
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DOI
PubMed
高影响因子
eFood
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2025
·Vol. 6
·期 2
·e70046
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IF 5.7
Yi Wang,Sheng Zhou,Chenlei Li,Yuyi Shen,Zhenjiang Wang,Xiaojie Yan,Wenkui Dai
In traditional Chinese medicine, Ramulus mori (Sangzhi) is used to lower blood sugar and treat diseases such as diabetes, and its therapeutic effects are attributed to an abundance of bioactive compounds. This study employed a comparative analysis of Ramulus mori (Sangzhi) from three geographical regions within China. The samples included Morus atropurpurea Roxb from Guangdong (GDS), Morus australis Poir from Jiangsu (JS), and Morus nigra Linn, which is native to Xinjiang (XJYS). The study discovered significant differences in total polyphenol and flavonoid content among various Ramulus mori (Sangzhi), with those from XJYS showing the highest levels. Utilizing UPLC-ESI-MS/MS technology, a total of 128 phenolic metabolites were identified, from which 17 differential metabolites were screened. In Comparison to GDS, JS, and XJYS exhibited 12 and 10 different metabolites, respectively, with 8 differential metabolites observed between JS and XJYS. Furthermore, XJYS exhibited a higher polyphenol and flavonoid content than the other two varieties. Additionally, some of the upregulated differential metabolites have been confirmed to possess a variety of pharmacological effects and health benefits. Kyoto Encyclopedia of Genes and Genomes analysis linked these to flavonoid biosynthesis, and qRT-PCR confirmed corresponding gene expression patterns. These findings provided a theoretical basis for the use of Ramulus mori (Sangzhi) in the pharmaceutical and food industries.
研究领域:
植物化学
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代谢组学
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中医药
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天然产物化学
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植物生物化学
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DOI
高影响因子
WATER RESEARCH
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2022
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IF 13.4
Fuwei Sun,Tianhu Chen,Ziyang Chu,Peixun Zhai,Haibo Liu,Qiang Wang,Xuehua Zou,Dong Chen
A system of Cu 2+ /calcite/PDS was constructed to degrade sulfadiazine (SDZ). Different from the traditional Cu-mediated activation, a low concentration of Cu 2+ that met drinking water standards (≤ 1 mg/L) transformed into Cu(Ⅱ) solid in the presence of calcite, and then enhanced the degradation of SDZ via PDS activation over a pH range from 3 to 9. According to scavenger and chemical probe experiments, Cu(Ⅲ), rather than radicals (hydroxyl radicals and sulfate radicals) and singlet oxygen, was the predominant reactive species, which was responsible for the degradation of SDZ. Based on the results of XRD, ATR-FTIR, and CV curves et al., CuCO 3 was the main complex with high reactivity for PDS activation to form Cu(Ⅲ). Moreover, detailed degradation pathways of sulfadiazine were proposed according to the UPLC-ESI-MS/MS and their toxicity was predicted by ECOSAR. Besides, the real water matrix would not seriously affect the degradation of SDZ in the Cu 2+ /calcite/PDS system. In summary, this study reveals a new insight into the synergistic effect of Cu 2+ and calcite on the SDZ degradation, and promotes an understanding of the environmental benefits of natural calcite.
研究领域:
环境科学
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化学工程
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分析化学
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水处理
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DOI
PubMed
高影响因子
Journal of Functional Foods
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2020
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IF 3.701
Xiao Guo,Kaikai Li,Ailing Guo,Erhu Li
In this study, an in vivo animal experiment was performed, to investigate the intestinal absorption and distribution of naringin, hesperidin, and their metabolites by using UPLC-ESI-MS/MS and HPLC-PDA analysis. The bioavailability of naringin or hesperidin in duodenum, jejunum, ileum, cecum, and colon was calculated. A total of 7 and 13 metabolites were found and tentatively identified in intestinal tissue after orally administered naringin and hesperidin in mice, respectively. Sulfates of naringin could be absorbed by ileum and cecum, de-glycosylation metabolites could be absorbed by duodenum, and phenolic acids could be absorbed by the cecum and colon. Sulfates of hesperidin could be absorbed by duodenum and ileum, de-glycosylation metabolites could be absorbed by cecum, and phenolic acids could be absorbed by ileum, cecum and colon. Jejunum did not absorb metabolites of naringin or hesperidin. Results could be beneficial for understanding the intestinal bioactivities of naringin and hesperidin.
研究领域:
药理学
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生物化学
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营养学
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产品关联
DOI
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
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2026
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IF 6.4
Lili Yu,Zhonghua Li,Huawei Xin,Na Shen,Tao Yan,Yulei Cui
Euphorbia helioscopia L. is a traditional medicinal plant, whose seeds (EHS) are often discarded as agricultural waste. This study aimed to explore the metabolic profile and anti-epithelial-mesenchymal transition (EMT) potential of EHS compared with the conventional whole herb (EHQ). Using UPLC-ESI-MS/MS-based widely targeted metabolomics, 2178 metabolites were identified, with 1423 showing differential accumulation between EHQ and EHS. EHQ was rich in flavonoids, while EHS relatively enriched in lipids compared to EHQ metabolome, enriched in fatty acids such as octanoic, stearic, and octadecenoic acids. Pathway analysis highlighted disparities in lipid and flavonoid biosynthesis. In vitro assays on A549 lung cancer cells revealed that EHS extract possessed stronger cytotoxicity (IC 50 = 0.80 mg/mL) and more potently inhibited cell migration and EMT progression, evidenced by upregulated E-cadherin and downregulated N-cadherin and α-SMA. These findings position EHS as a promising candidate contributors’ lipid-rich resource for anti-EMT drug development, advocating for the valorization of underutilized plant parts in sustainable bioproduct pipelines.
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DOI
高影响因子
MICROCHEMICAL JOURNAL
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2026
·
IF 5.2
Long Xu,Xiang Liang,Mengqing Xiao,Walter Vetter,Shuaishuai Yang,Kai Chen,Fashan Wei,Xiaoling Yu,Xia Shen,Mingjiang Zhu
A 3-tier screening strategy-based LC-MS/MS profiles FAHFAs in fruit seeds and pits. • Fruit seed oils contain significantly higher total FAHFA levels than pit oils. • Bayberry seed oil is the richest FAHFA source (168 ng/g) among all samples. • OAHOA and PAHOA are identified as predominant FAHFA species in fruit seeds. Fatty acid esters of hydroxy fatty acids (FAHFAs) are bioactive lipids with anti-inflammatory and antidiabetic properties, but their occurrence in fruit seeds and pits remain largely unexplored. Here, untargeted lipidomics and fatty acid profiling were firstly employed to characterize the overall lipid landscape and precursor pools. Subsequently, a targeted platform was established by integrating solid-phase extraction (SPE) enrichment, N , N -dimethylethylenediamine (DMED) derivatization, and UPLC-ESI-MS/MS in multiple reaction monitoring (MRM) mode. Using a predictive MRM database covering 2116 theoretical FAHFA species and a three-tier screening strategy (two MRM filtering rounds followed by retention time and signal-to-noise evaluation), 49 endogenous species were identified in 17 fruit seeds and 4 fruit pits. It was found that fruit seed oils contained significantly higher total FAHFA levels than pit oils (3–168 vs. 1–35 ng/g), with bayberry seed oil showing the highest content (168 ng/g). Predominant species included OAHOA, LAHLA, PAHOA, and OAHSA. This first comprehensive FAHFA profile, achieved via the three-tier strategy, establishes seed oils as notable dietary sources of these lipids and offers a robust platform for discovering bioactive lipids in complex plant matrices. Download: Download high-res image (113KB) Download: Download full-size image
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DOI
高影响因子
Biomed Research International
·
2021
·
IF 3.411
Guiqin Shi,Jiaxin Shen,Tao Wei,Fei Ren,Famou Guo,Yuan Zhou
In this study, the ultrasound-assisted extraction (UAE) of flavonoid from Paeonia lactiflora seed peel was optimized by response surface methodology (RSM). Single-factor experiments and a three-factor three-level Box-Behnken design (BBD) were performed to explore the effects of the following parameters on flavonoid extraction: ethanol concentration (), liquid-solid ratio (), and ultrasonic time (). The results showed that the optimal flavonoid yield (10.9045 mg RE/g) was as follows: ethanol concentration 62.93%, ultrasonic time 64.56 min, and liquid-solid ratio 24.86 mL/g. The optimized extract of P. lactiflora seed shell was further analyzed by UPLC-ESI-MS/MS, and 20 main flavonoids were identified and quantified, among which protocatechuic acid, vanillic acid, 4-hydroxybenzoic acid, and 3,4-dihydroxybenzaldehyde had the highest content. Furthermore, the results of the antioxidant test showed that the P. lactiflora seed peel extract obtained under optimized UAE conditions exhibited good antioxidant activity. The experimental results showed that ultrasound-assisted extraction was a fast, efficient, and simple method for extracting active ingredients from P. lactiflora seed peel, thereby making this byproduct a promising source of compounds in food and healthcare sectors.
研究领域:
药学
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分析化学
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食品科学
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植物科学
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DOI
PubMed
高影响因子
CLINICA CHIMICA ACTA
·
2023
·
IF 5
Jing Li,Xin Zhou,Morotomi Takashi,Kenichiro Todoroki,Toshimasa Toyo'oka,Qing Shi,Toufeng Jin,Jun Zhe Min
Background Recent research has been reported that N -acetyl-leucine content is significantly reduced in the saliva of diabetic patients, but no reports of detection in human nails have been found. This study aims to develop a novel method for the chiral separation of N -acetyl-DL-leucine (Ac-DL-Leu) in human fingernails to investigate the differences between healthy volunteers (HVs), prediabetes (PDs) and diabetic patients (DPs), and to verify its effectiveness in early warning of diabetes. Method Chiral resolution was performed using DBD-Apy pre-column derivatization on a C18 column (2.1 × 150 mm, 1.9 μm) at 40 °C, and detected by UPLC-ESI-MS/MS. Results The resolution and the limit of detection (LOD) of Ac-DL-Leu were 1.75 and 1.50 fmol, respectively. The linear range of Ac-DL-Leu was 10–2000 fmol and the determination coefficient (R 2 ) was above 0.9997. The recovery of Ac-DL-Leu in human nails was 96.92–105.69 %. The contents of Ac-D-Leu and Ac-L-Leu were analyzed in 18 HVs, 13 PDs and 16 DPs fingernails. The results showed that their contents were significantly lower in DPs than in PDs and HVs ( p < 0.0001). Conclusions A method for evaluating the effectiveness of Ac-DL-Leu enantiomers in human fingernails as a biomarker for diabetes was firstly developed.
研究领域:
分析化学
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医学
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药理学
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产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2019
·Vol. 34
·期 1
·e4703
·
IF 1.748
Shuangshuang Sun,Dongfang Cheng,Shumeng Kong,Xiangping Li,Tongfang Li,Qinglong Yu,Lin Wang
Ibrutinib has an excellent effect in the treatment of mantle cell lymphoma so it has attracted much attention. A novel ibrutinib nanocrystalline was exploited in our study to improve the bioavailability. A fast and reliable UPLC–MS/MS method was established for the accurate quantification of ibrutinib in rat plasma. The chromatographic separation was achieved by an Agilent zorbax SB-C 18 rapid solution HD column (2.1 × 50 mm, 1.8 μm). The mobile phase consisted of deionized water (containing 10 m m ammonium acetate and 0.1% formic acid) and pure acetonitrile. Isocratic elution (water–acetonitrile 10:90, v/v) was adopted and the flow rate was 0.4 mL/min. Column temperature was set to 40°C. Vilazodone was used as the internal standard in this analytical method. Multiple reaction monitoring mode with positive electrospray ionization was selected to detect ibrutinib and vilazodone. Acetonitrile was used to precipitate protein to extract plasma samples. There was no endogenous interference for both ibrutinib and vilazodone and the linear range of this method was 1–2000 ng/mL. The recoveries were 98.4, 97.4 and 102.7% at low, medium and high concentrations. Accordingly, the matrix effect was 96.6, 111.1 and 99.6%. The pharmacokinetic difference between ibrutinib crude and a novel ibrutinib nanocrystalline in rats was investigated by this validated method successfully. The peak concentration and area under the concentration–time curve showed significant differences in gender and the bioavailability was improved after oral administration of ibrutinib nanocrystalline.
研究领域:
药物分析
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药理学
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生物医学工程
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DOI
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2022
·
IF 4.52
Shi Shen,Xi Chen,Qin Zhuo,Yan Ma,Jingbo Wang,Liyuan Wang,Zhaolong Gong,Junsheng Huo
To investigate the differences among kiwifruits from six different cultivars ( Actinidia chinensis , Actinidia delicosa and Actinidia arguta ), UPLC-QTOF-MS and UPLC-ESI-MS/MS coupled to multivariate statistical analysis were applied to untargeted metabolites and targeted analysis of kiwifruit samples for the first time. In untargeted analysis, the metabolome of kiwifruits was exhibited by principal component analysis (PCA), a total of 44 up-regulated feature compounds were screened based on the orthogonal partial least squares-discriminant analysis (OPLS-DA) and identified as glycosyl compounds , hydrocinnamic acids and various flavonoids . Furthermore, the contents of 27 targeted procyanidins , flavonoids and hydrocinnamic acids were analyzed by a UPLC-ESI-MS/MS method. It was indicated that phenol glycosides were much higher in A. arguta , responsible for the aroma of kiwifruits, various quercetin glycosides were higher in A. arguta , and much higher flavan-3-ols and hydrocinnamic acids were rich in A. Chinensis cv. Hongyang (red) kiwifruits. In addition, the results of chemometric analysis showed the untargeted metabolites and targeted compounds were responsible for the classification on the kiwifruits, which can benefit the scientific understanding of chemical diversity for kiwifruits, and improve the investigation of new wild kiwifruit cultivars, especially red kiwifruit and A. arguta .
研究领域:
植物科学
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分析化学
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食品科学
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DOI
高影响因子
危险品化学品经营许可证（带存储）