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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8

Comparative analysis of sensory properties, chemical composition, and antioxidant activity in aqueous extracts from medicinal and edible citrus resources: Electronic tongue, UPLC-Q-TOF-MS/MS, antioxidant capacity, and molecular docking

Xiaomin Cao,Hanna Cai,Hongyan Zhang,Xianghao Yuan,Siyi Pan

Medicinal and edible citrus resources are widely utilized in traditional Chinese medicine and daily diets due to their abundant health-promoting properties. However, systematic comparative studies on their sensory characteristics, phytochemical profiles, and biological activities remain insufficient, particularly among different varieties. In this study, electronic tongue analysis, UPLC-Q-TOF-MS/MS, spectrophotometry, and molecular docking were employed to evaluate the sensory attributes, chemical composition, and antioxidant activity of five medicinal and edible citrus resources. Electronic tongue analysis indicated that the Citri sarcodactylis fruct (CSF) exhibits the strongest sourness and bitterness. Citri exocarpium rubrum (CER), Citri grandis exocarpium (CGE), and Guangchenpi (GCP) exhibited strong antioxidant activity, while CSF showed the lowest activity. The ethanol precipitation supernatant (HTAPS) fraction exhibited significantly stronger antioxidant activity than the ethanol precipitation (HTAP). Furthermore, a total of 75 compounds were tentatively identified from five citrus resources, and multivariate analysis revealed key differential metabolites, including polymethoxyflavones, flavanones, and limonoids. Limonin, naringin, hesperidin, hesperetin, apiin, and isosinensetin exhibited strong binding affinity with Keap1 (PDB ID: 4IQK ) protein. This study provides a multidimensional basis for the high-value utilization of medicinal and edible citrus resources in functional foods and health products.

CAS / MDL: 3682-35-7
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2023 · IF 3.4

Analysis of the permeable and retainable components of Cayratia japonica ointment through intact or broken skin after topical application by UPLC-Q-TOF-MS/MS combined with in vitro transdermal assay

Xuelong Zhao,Ruixue Dai,Jing Wang,Liangliang Cao,Peidong Chen,Weifeng Yao,Fangfang Cheng,Beihua Bao,Li Zhang

Cayratia japonica ointment has been used for many years to promote wound healing after perianal abscess surgery. This study aimed to determine the skin-permeable and skin-retainable components of Cayratia japonica ointment after topical application to intact or broken skin via UPLC-Q-TOF-MS/MS analysis and in vitro transdermal assay . Moreover, a combination of semi-quantitative and molecular docking analyses was performed to identify the main active components of the Cayratia japonica ointment and the probable phases of the wound healing process that they act on. Modified vertical Franz diffusion cells and abdominal skin of rats were selected for the in vitro transdermal study. Mass spectrometry data were collected in both positive and negative ion modes. A total of 7 flavonoids (schaftoside, luteolin-7-O-glucuronide, luteolin-7-O-glucoside, apigenin-7-O-glucuronide, luteolin, apigenin, and chrysin) and 1 coumarin (esculetin), were found to permeate and/or retained by intact or broken skin. Among them, the flavonoids were more permeable through intact/broken skin and exhibited stronger binding affinities for targets related to the inflammatory and proliferative phases of wound healing. This study suggests that the flavonoids in Cayratia japonica ointment are most likely the main active components and are crucial at the inflammatory and proliferative phases of wound healing.

CAS / MDL: 64-18-6
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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES · 2023 · IF 3

Combinatorics-based chemical characterization and bioactivity comparison of different parts of traditional Chinese medicinal plants through LC-Q-TOF-MS/MS, multivariate statistical analysis and bioassay: Marsdenia tenacissima as an example

Yue-Hua Chen,Si-Yu Li,Dan Wang,Wei Yuan,Kun Xu,Jia-Wei Wang,Ting-Guo Kang,Hui Zhang

Marsdenia tenacissima is a traditional Chinese medicinal plant used for treating cancer, and its main medicinal part is the stem. Considering the resource shortage of M. tenacissima , it is of great significance to improve its utilization efficiency. Steroids and caffeoylquinic acids, the two main components of M. tenacissima , are composed of several basic structures. Based on this rule, a novel strategy of combinatorics-based chemical characterization was proposed to analyze the constituents of roots, stems and leaves of M. tenacissima . Combinatorics was used to generate a compound library for structure alignment, which has the advantages of wide coverage and high specificity. Steroids are composed of four basic parts: core skeleton (C), substituent at position 11 (A), substituent at position 12 (B) and sugar moiety (S). Based on combinatorics, a compound library consisting of 1080 steroids was generated. Diagnostic neutral loss has been used to effectively predict the substituents at position 11 and 12 of steroids, including acetyl, 2-methylpropionyl, tigloyl, 2-methylbutyryl and benzoyl. As a result, 131, 131 and 99 components were detected from the roots, stems and leaves of M. tenacissima , respectively. Principal component analysis (PCA) was used to analyze the differences of roots, stems and leaves, and orthogonal partial least squares-discriminant analysis (OPLS-DA) was further applied to find differential components. Tenacissoside H, a critical indicator component for quality evaluation of the stem, has been proved to be a differential component between roots and stems. Notably, the relative content of tenacissoside H in the roots was significantly higher than that in the stems. The bioactivity comparison showed that roots, stems and leaves of M. tenacissima had similar scavenging activity on 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical. However, their α-glucosidase inhibitory activity was ranked as leaves > stems > roots. Therefore, besides stems, the other parts of M. tenacissima have potential medicinal value. This study not only helps to develop the resource of M. tenacissima , but also provides a paradigm for the research of other similar medicinal plants.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Bioscience · 2025 · IF 5.9

Dynamic changes in metabolic compounds and their effects on flavor quality of Fuliang black tea and green tea during processing

Fang Dong,Hongkun Lai,Qifang Sun,Wenjie Yu,Gaowei Zhang,Shijuan Du,Shuai Zhuang,Tao Liu,Yan Li,Xiaoqing Fan,Feng Xie,Liping Luo

Processing stages influence the flavor quality of tea by altering the metabolic compounds in fresh leaves. To investigate the effects of different processing stages on the quality compounds of Fuliang black tea (FLBT) and Fuliang green tea (FLGT), the same batch of fresh leaves was used in this study, and the dynamic changes and accumulation differences of volatile and non-volatile compounds throughout the whole processing were systematically explored by HS-SPME-GC/MS and UPLC-Q-TOF/MS. The results showed that withering and fixation processes played a major role in the changes of metabolic compounds of FLBT and FLGT, respectively. A total of 123 volatile compounds and 165 non-volatile compounds were identified in FLBT, and 114 volatile compounds and 142 non-volatile compounds were identified in FLGT. A total of 8 volatile compounds (e.g., linalool, dimethyl sulfide, β-ionone) with Relative Odor Activity Value (ROAV) > 1 were identified as key aroma-active compounds contributing to the floral and sweet aromas of FLBT. Meanwhile, 6 volatile compounds (e.g., dimethyl sulfide, β-ionone, β-ocimene) were considered crucial aroma-active substances responsible for the floral and delicate fragrance of FLGT. Additionally, the changes of some non-volatile compounds (e.g., amino acids) during processing enhanced the sweet or fresh taste quality of both teas. In particular, the generation of 3-methylbutanal in FLBT may be associated with the decrease in leucine content, implying a potential role of leucine degradation in rolling stage. These findings help improve the tea processing techniques to enhance the flavor quality of Fuliang tea.

研究领域: 食品科学 · 分析化学 · 植物生物化学 · 风味化学 · 农产品加工技术
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Food Bioscience · 2024 · IF 4.8

Targeted preparation of six rare ginsenosides using two β-glucosidases from Bifidobacterium adolescentis

Yanbo Hu,Yiming Li,Yuzhu Shen,Baochun Zhang,Jiaxin Liu,Yi Cao,Jun Zhao

In this study, six rare protopanaxadiol (PPD)-type ginsenosides, namely, F2, CK, C-Mc1, C-Mc, CO, and CY, were prepared using enzymatic hydrolysis. Firstly, major (PPD)-type ginsenosides, including Rb1, Rb2, Rc, and Rd, were biotransformed by employing single and combined β-glucosidases BaBgl1A and BaBgl3A. Thin-layer chromatography (TLC) and high-performance liquid chromatography (HPLC) analyses revealed that ginsenosides F2, CO, and C-Mc1 could be produced by BaBgl1A, while rare ginsenosides CK, CY, and C-Mc could be produced by the combined use of BaBgl1A and BaBgl3A. Furthermore, optimal preparation conditions for these rare ginsenosides were elucidated, with yields exceeding 76.34%. Additionally, large quantities of rare ginsenosides were prepared to determine their structures. Characteristic absorption peaks in 13 C NMR spectra and ion peaks in MALDI-TOF-MS suggested that the six high-purity rare ginsenosides (i.e., F2, CO and C-Mc1, CK, CY, and C-Mc) could be produced at high-efficiency. The findings of this study offer insights into novel enzymolysis methods for the targeted preparation of rare PPD-type ginsenosides, thus widening the range of raw materials that could be directed to in-depth biological activity research.

研究领域: 生物化学 · 药理学 · 生物技术
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PHYCOLOGICAL RESEARCH · 2018 ·Vol. 66 ·期 2 ·89-99 · IF 1.275

Heat shock-induced metabolic conversion of membrane lipids, fatty acids and volatile organic compounds of Pyropia haitanensis under different heat shock time

Yue Song,Jiali Zhao,Juanjuan Chen,Qijun Luo,Rui Yang,Jilin Xu,Haimin Chen,Xiaojun Yan

SUMMARY Lipid metabolites play an important role in understanding the stress physiology of Pyropia haitanensis , and can be used to facilitate development of stress-resistant Pyropia cultivars. Therefore, in this study ultra performance liquid chromatography coupled with quadrupole time of flight mass spectrometry (UPLC-Q-TOF-MS) and gas chromatography–mass spectrometry (GC–MS) based metabolomics approaches were developed to screen the responses of lipid metabolites such as phospholipids, glycolipids, fatty acids and volatile organic compounds (VOCs) to different heat shock times. A total of 26 potential lipid biomarkers including Lyso-monogalactosyldiacylglycerol (Lyso-MGDG), Lyso-digalactosyldiacylglycerol (Lyso-DGDG), sulfoquinovosylmonoacylglycerols (SQMG), sulfoquinovosyldiacylglycerol (SQDG), diacylglyceryltrimethylhomoserine (DGTS), triacylglycerol (TAG), Lyso-phosphatidicacid (Lyso-PA), Lyso-phosphatidylcholine (Lyso-PC), Lyso-phosphatidylethanolamine (Lyso-PE), Lyso-phosphatidylglycerol (Lyso-PG), phosphatidylglycerol (PG), phosphatidylinositol (PI), and phosphatidylinositol phosphate (PIP) were identified, most of which responded to high temperature by reducing or increasing levels after stimulation for 1 h or 6 h. After times longer than 6 h, the levels of most lipids gradually recovered to the control group levels. Moreover, the balance of lipids and fatty acids transformation was disrupted. Overall, 11 total fatty acids (TFAs), 13 free fatty acids (FFAs) and 29 VOCs were identified during 0–72 h of high temperature stress. The FFAs, especially polyunsaturated C 20 fatty acids and VOCs, showed opposing change trends, indicating the transformation between C 20 fatty acids and VOCs. Overall, this study provides important insights into the metabolic variations of P. haitanensis under different heat shock time and the relationship between the conversion of lipids, fatty acids, and VOCs. The information provided herein will facilitate efficient development and improvement of Pyropia quality by producing cultivars resistant to high temperature.

CAS / MDL: 75-36-5
研究领域: 植物学 · 代谢组学 · 应激生理 · 海洋生物学
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FOOD RESEARCH INTERNATIONAL · 2020 · IF 4.972

Screening of key flavonoids and monoterpenoids for xanthine oxidase inhibitory activity-oriented quality control of Chrysanthemum morifolium Ramat. ‘Boju’ based on spectrum-effect relationship coupled with UPLC-TOF-MS and HS-SPME-GC/MS

An Peng,Lianzhu Lin,Mouming Zhao

This study aimed at obtaining precise quality control standards to efficiently screen Chrysanthemum morifolium Ramat. ‘ Boju ’ with strong xanthine oxidase (XO) inhibitory activity for developing C. morifolium ‘ Boju ’ extract based-hypouricemic functional food. The results indicated significant differences in volatile and phenolic profiles and XO inhibitory (XOI) activities of 31 batches of C. morifolium ‘ Boju ’ collected in herb/tea market. The minority of C. morifolium ‘ Boju ’ having abundant characteristic monoterpenoids and flavonoid aglycones showed strong XOI activities, while the majority of C. morifolium ‘ Boju ’ possessing few corresponding monoterpenoids and flavonoid aglycones exhibited moderate XOI activities. Seven XOI activity-directly related phenolics and ten XOI activity-indirectly related volatiles were identified by UPLC-ESI-QTOF/MS-based and HS-SPME-GC/MS-based spectrum-effect relationships, respectively. Three flavonoids (luteolin, apigenin and acacetin) identified as key XO inhibitors and four monoterpenoids (filifolone, α-terpineol, thymol and piperitenone) closely related to key XO inhibitors were screened for XOI activity-oriented quality control of C. morifolium ‘ Boju ’.

CAS / MDL: 64-18-6
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EUROPEAN FOOD RESEARCH AND TECHNOLOGY · 2021 ·Vol. 247 ·期 10 ·2591-2608 · IF 2.998

Application of GC × GC coupled with TOF–MS for the trace analysis of chemical components and exploration the characteristic aroma profile of essential oils obtained from two tree peony species (Paeonia rockii and Paeonia ostii)

Wu Yi,Li LinZhu,Yuan WeiQiong,Hu JianZhong,Lv ZhaoLin

Tree peony essential oil (EO) is a critical material for flavor and function in the industrial fields of perfume, medicine and food. To conduct an overall analysis of different varieties of tree peony EOs, the composition, aroma characteristics and antioxidant activity of ZiBan and FengDan EOs were analyzed by two-dimensional gas chromatography and time-of-flight mass spectrometry (GC × GC-TOF/MS) and the odor activity value (OAV). A total of 151 and 123 compounds were identified in ZiBan and FengDan EOs, respectively, in which ZiBan EO was characterized by alcohol, alkane and acid, and FengDan EO was represented by aldehyde, alcohol and terpene. Nevertheless, there were great differences in the content of coexisting substances in the two kinds of EOs. The aroma result indicated that the characteristic aroma and intensity of the two kinds of tree peony EOs were completely different; the aroma of ZiBan EO was mainly composed of fruity and floral aromas, whereas that of FengDan EO primarily consisted of fruity, fatty, grass and floral odors. The antioxidant activities of ZiBan EO was better than that of FengDan EO. The total antioxidant activities of ZiBan and FengDan EOs were found to be 0.020 mg Vc/mL EO and 0.003 mg Vc/mL EO, while the DPPH radical scavenging abilities of ZiBan and FengDan EOs were 24.77% and 21.60%, respectively.

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CARBOHYDRATE POLYMERS · 2024 · IF 10.7

A novel strategy with in vivo characterization, extraction, isolation and activity evaluation for discovery of absorbed anti-inflammatory oligosaccharides from Zhu-Ling decoction

Xi-yang Tang,Zhi-heng Shu,Peng-cheng Zhao,Wen Wei,Cai-lian Fan,Zhi-hong Yao,Xin-sheng Yao,Yi Dai

Zhu-Ling decoction (ZLD), a classical traditional Chinese medicine (TCM) formula, is used for the treatment of chronic kidney diseases. However, the structure and activity of absorbed oligosaccharides (OSs) in ZLD are not clear. In this study, a novel strategy with in vivo characterization, extraction, isolation, activity evaluation was established and applied to identify absorbed anti-inflammatory OSs in ZLD. The results revealed that 30 OSs (22 reducing and 8 non-reducing OSs) and 11 OSs (7 reducing and 4 non-reducing OS) were characterized from ZLD in vitro and in vivo by using UPLC/Q-TOF-MS with PMP derivatization, respectively. Among them, a series of −1 → 3- β -D-Glcp-OSs were isolated and identified by HPLC-HILIC-UVD-ELSD, SPHPLC-HILIC-RID, monosaccharide composition, MS and 1D/2D-NMR spectroscopy, including laminaritriose, laminaritetraose, laminaripentaose, laminarihexaose, laminariheptaose, laminarioctaose and laminarinonaose. Moreover, the 4 non-reducing absorbed OSs were identified by comparison with reference standards, including sucrose, trehalose, raffinose and stachyose. Among them, laminaritriose, laminaritetraose and laminaripentaose significantly inhibited TNF-α and IL-6 levels in LPS-induced HK-2 cell and exerted significant anti-inflammatory effects via the NF-κB and Akt/mTOR signaling pathways. Together, our work provides a novel strategy for discovery of absorbed anti-inflammatory OSs and broadens new horizons for the discovery of in vivo pharmacodynamic substances in TCM formulas.

研究领域: 药理学 · 中药学 · 生物化学 · 分子生物学
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JOURNAL OF HAZARDOUS MATERIALS · 2021 · IF 10.588

Nanocomposites of boronic acid-functionalized magnetic multi-walled carbon nanotubes with flexible branched polymers as a novel desorption/ionization matrix for the capture and direct detection of cis-diol-flavonoid compounds coupled with MALDI-TOF-MS

FuKai Li,Min Wang,Jian Zhou,MengRui Yang,TongTong Wang

Novel boronic acid-functionalized magnetic multi-walled carbon nanotubes with flexible branched polymer (Fe 3 O 4 @MWCNTs@ε-PL@BA) nanocomposites were fabricated and applied as the desorption/ionization matrix for the MALDI-TOF-MS determination of low molecular weight flavonoids . The prepared nanocomposite was systematically characterized by various techniques. Compared to the traditional organic matrix, the proposed Fe 3 O 4 @MWCNTs@ε-PL@BA matrix has excellent ionization efficiency and low-background noise interference due to the MWCNTs unique electron-phonon interaction and the high introduction density of boronic acid functional groups. Good sensitivity and ultra-high salt tolerance of the Fe 3 O 4 @MWCNTs@ε-PL@BA-assisted MALDI-TOF-MS were permitted for the determination and quantification of flavonoids in actual samples. Noticeably, the limits of detection (LODs) for the target flavonoids were in the range 17–33 nM. The relative standard deviations (RSDs) of spot-to-spot and sample-to-sample (n = 10) were ≤ 9.8% and ≤ 10.1%, respectively. Furthermore, the wide linear ranges (0.1 – 500 µg/mL) and satisfactory calibration plot coefficients (R 2 > 0.99) of flavonoids were achieved by MALDI-TOF-MS with the Fe 3 O 4 @MWCNTs@ε-PL@BA matrix. Good recoveries (92–105.5%) were achieved for the target flavonoids in practical food samples. Hence, the prepared Fe 3 O 4 @MWCNTs@ε-PL@BA nanocomposites have applications in the selective and efficient capture of target flavonoids active biomolecules coupled with MALDI-TOF-MS determination in actual samples.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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ENVIRONMENT INTERNATIONAL · 2022 · IF 13.352

Synchronous removal of pharmaceutical contaminants and inactivation of pathogenic microorganisms in real hospital wastewater by electro-peroxone process

Yahan Yu,Zhaokun Xiong,Bingkun Huang,Xinhao Wang,Ye Du,Chuanshu He,Yang Liu,Gang Yao,Bo Lai

Herein, a highly efficient electro-peroxone (E-peroxone) process with graphite felt as ozone diffusion electrode (ODE) was developed for the synchronous removal of pharmaceutical contaminants and inactivation of pathogenic microorganisms in real hospital wastewater. Under optimal conditions, the total organic carbon (TOC) removal rate of real hospital wastewater could reach 93.9%. Importantly, 126 pharmaceutical compounds (antibiotics, antivirals, analgesics, antiepileptics, hormones, and others) were determined in hospital wastewater by using ultra performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS). 110 pharmaceutical compounds could be efficiently degraded in E-peroxone system. Concurrently, the microbial community analysis through high-throughput sequencing showed that E-peroxone process exhibited an excellent disinfection effect in real hospital wastewater. Escherichia coli as a bacterial indicator could be completely inactivated in E-peroxone process·H 2 O 2 and hydroxyl radical ( OH) were found in E-peroxone system based on the results of chemical probe experiments and electron paramagnetic resonance (EPR) analysis. The in-situ generation of H 2 O 2 from cathodic oxygen reduction in ODE can react with ozone to produce OH, and realize high efficiencies for the elimination of pharmaceutical and sterilization. This work established a green and effective way without extra addition of chemical reagents for high-efficiency treatment of real hospital wastewater.

研究领域: 环境工程 · 水处理 · 化学工程 · 微生物学
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Oncotarget · 2017 · IF 5.168

Mass spectral analysis of the multikinase inhibitor BZG and its metabolites and analysis of their binding to vascular endothelial growth factor receptor-2

Yan Lou,Wenqi Qiu,Zhe Wu,Qian Wang,Yunqing Qiu,Su Zeng

We previously showed that BZG is a novel multitarget kinase inhibitor, which inhibited hepatocellular carcinoma in vivo and in vitro . In the present study, we used ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC/Q-TOF MS) to characterize BZG and its metabolites generated in vivo . The probable metabolic mechanism was further confirmed by analysis of Phase I and Phase II metabolism in liver microsomes and with recombinant enzymes. In addition, the binding affinities of BZG metabolites to vascular endothelial growth factor receptor 2 (VEGFR2) were predicted using electronic high throughput screening (eHiTS). The results showed that BZG underwent phase I and phase II metabolism. We detected 11 BZG metabolites and identified hydroxylation, glucuronation, acetylation, sulfonation and degradation as the major metabolic processes in vivo and in vitro . Five of the eleven metabolites showed highly favorable eHiTS energy scores that were lower than sorafenib. Knowledge of the in vivo metabolic pathways of BZG and its binding affinities to VEGFR2 will be beneficial for further clinical development of BZG.

研究领域: 药理学 · 癌症研究 · 药物代谢
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