JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2021
·
IF 4.556
Ruixuan Zhao,Hui Zou,Renjie Zhao,Ningyang Li,Zhenjia Zheng,Xuguang Qiao
The formation of pigment precursors was investigated systematically using green models containing arginine, lysine, alanine, glycine, serine, tyrosine, glutamic acid, and aspartic acid, respectively. Pigment precursor and blue pigments during garlic greening were investigated using ultra-performance liquid chromatography and tandem high-resolution mass spectrometry with a quadrupole time-of-flight analyser (UPLC–ESI-Q-TOF-MS). The intermediate products during the formation of a pigment precursor with a 3-oxopropenyl side chain were tentatively identified. N -substituted 3,4-dimethylpyrrole pigment precursors were found to react with 2-propenesulfenic acid first, and the propenesulfenic acid side-chain decomposed to a 3-oxopropenyl side chain, which provided a hypothesis of the formation pathway. Density functional theory calculations combined with the experimental results led to the conclusion that the primary amino group located on the α-carbon reacted with 3,4-dimethylbutanedithial S -oxide to form pigment precursors. In contrast, the amino group in the amino acid R group did not participate in pigment precursors formation. The R -groups of amino acids containing hydroxyls or carboxyl groups have influential roles in the stability of N -substituted 3,4-dimethylpyrrole pigment precursors. In contrast to a previous report, larger R-groups made a more outstanding contribution to the production of blue pigments.
研究领域:
食品科学
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化学
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光谱学
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生物化学
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产品关联
DOI
高影响因子
PLANTA MEDICA
·
2022
·Vol. 88
·期 14
·1369-1383
·
IF 3.007
Song Mengmeng,Xu Zhuicheng,Han Sixuan,Sheng Xianjie,Chen Yan,Li Xinru,Su Yan,Li Qin,Shan Chenxiao,Xie Tong,Kang An
Agrimonia pilosa is a perennial herbaceous flowering plant, commonly known as agrimony or hairy agrimony. The dried aerial parts of this species have been widely used for the treatment of acute diarrhea, hemostasis, and other inflammation-related diseases. However, information on the in vivo metabolism of A. pilosa constituents is limited. In this study, the phytochemical profile of A. pilosa was investigated using HPLC-Q-TOF-MS/MS combined with a nontargeted diagnostic ion network analysis strategy. An information-dependent acquisition method with multiple filters was utilized to screen possible prototypes and metabolites in complex biological matrices. Furthermore, various data-processing techniques were applied to analyze possible prototypes and their metabolites in rat plasma, feces, and urine following oral administration of A. pilosa extract. A total of 62 compounds, which belonged to five main structural classes (21 phenols, 22 flavonoids, 6 coumarins, 3 triterpenes, and 10 organic acids), were tentatively identified in A. pilosa. In addition, using our proposed stepwise method, 32 prototypes and 69 metabolites were detected in rat plasma, feces, and urine. The main metabolic pathways after the oral administration of A. pilosa extract were revealed to include methylation, dihydroxylation, demethylation, hydrolysis, sulfation, and glucuronidation. This comprehensive in vivo and in vitro identification of the possible active components in A. pilosa could provide a basis for understanding its various pharmacological activities.
研究领域:
药理学
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分析化学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
FOOD CONTROL
·
2024
·
IF 5.6
Yuean Chu,Mingyue Yu,Yunxing Li,Suoxian Yang,Hongyan Bi
Tracement of the origin of seafoods and aquatic products is an important issue for avoiding the falsification of production regions of aquatic products. Herein, by analyzing black tiger shrimp ( Penaeus monodon ) as a model of aquatic products, we demonstrated a method to trace the origin of aquatic products by analyzing the gut microbiome of black tiger shrimp ( Penaeus monodon ) collected from three commercial farms in China, via matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS) analysis. Multivariate analysis was executed on the obtained mass spectrometric datasets of bacteria extracted and collected from shrimp samples with different production regions. The gut microorganisms of black tiger shrimps can be identified by scoring the gut microbiota of black tiger shrimps collected from three producing areas. The black tiger shrimp from three production regions were found with distinguished characteristics of bacterial prevalence in their digestive gland microbiota. The dominant bacteria genus in digestive gland microbiota from black tiger shrimp samples from the three production regions are completely different. Single-blind shrimp samples with unknown production region was successfully screened by comparing the detected MS data in different ways. This strategy can trace the production region of the analyzed shrimp samples in a quick and efficient mode. The application of the present protocol was further demonstrated by analyzing the biometric species from gill tissue of Chinese mitten crab ( Eriocheir sinensis ) samples collected from crab-producing areas in Jiangsu Province (China), that is, Taihu Lake, Gaoyou Lake, and Hongze Lake for tracing their production area. It is expected to extend the presently developed method to provide clues for the origin traceability of other aquatic products.
研究领域:
水产养殖
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食品科学
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微生物学
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质谱分析
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产品关联
DOI
高影响因子
Revista Brasileira de Farmacognosia-Brazilian Journal of Pharmacognosy
·
2017
·
IF 1.059
Juan Wu,Xiao’ai Fang,Yan Yuan,Yanfen Dong,Yanling Liang,Qingchun Xie,Junfeng Ban,Yanzhong Chen,Zhufen Lv
Canarium pimela K.D. Koenig, Burseraceae, have a long history of use in the Chinese traditional medicine treatment of various ailments including hypertension, and our research team has reported the anti-hypertensive activity and delineated the mechanism involved in the action. The following research aims to evaluate the vasorelaxant and antioxidant activities of ethanol extract from C. pimela leaves and to analyze its chemical composition by ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC/Q-TOF-MS) that may correlate with their pharmacological activities. The results showed that pre-incubation of aortic rings with the extract (0.3, 1, 3, 10, 30 and 100 mg/l) significantly inhibited the contractile response of the rings to norepinephrine-induced contraction ( p < 0.01or p < 0.05). Crude ethanol extract and refined ethanol extract showed a highest inhibitory effect against 2,2dipheyl-2-picrylhydrazyl hydrate scavenging activity (IC 50 of crude ethanol extract = 15.42 ± 0.14 μg/ml and IC 50 of refined ethanol extract = 5.72 ± 0.31 μg/ml) and 2,2′-azinobis (3-ethyl-benzothiazoline-6-sulphonic acid ammonium salt) (ABTS (IC 50 of crude ethanol extract = 3.24 ± 0.18 μg/ml and IC 50 of refined ethanol extract = 1.88 ± 0.07 μg/ml) scavenging activity, which was considerably higher than that reported for butylated hydroxytoluene and lower of that measured for ascorbic acid. Moreover, its chemical composition was analyzed by UPLC/Q-TOF-MS. Sixteen compounds including nine flavonoids, four tannins, two phenolic acids and one dianthrone were identified for the first time as constituents of this species. And of this, six major phenolic components were simultaneous quantitative analysis by HPLC-UV, chlorogenic acid is the major compounds in C. pimela leaves. These results indicate that the phenolic-rich extract of C. pimela leaves is a promising natural pharmaceutical for combating hypertension and oxidative stress.
研究领域:
药理学
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分析化学
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传统中药
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产品关联
DOI
高影响因子
Journal of Functional Foods
·
2022
·
IF 5.223
Yuan Ma,Ailian Meng,Yemei Dai,Huanhuan Yang,Yongli Huang,Xiaocui Liu,Lirong Xian,Xue Yuan
The aim of this study was to investigate the hypoglycemic activity of phenols extracted from Pleioblastus amarus (Keng) shells (PASs), and to isolate and identify the possible components.of which o-coumaric acid, ferulic acid, quercetin-3-0-rhamnoside, and apigenin-7-0-glucoside exhibited a strong affinity with α-glucosidase and were identified as potential The results revealed that, Pleioblastus amarus (Keng) shell phenols (PASP) displayed hypoglycemic activity in vitro, inhibiting α-glucosidase (IC50 = 0.158 ± 0.002 mg/mL) while improving glucose consumption in insulin-resistant (IR) HepG2 cells, as well as the intracellular glycogen content and hexokinase (HK) and pyruvate kinase (PK) activity. Twelve phenolic compounds were detected by UHPLC-Q-TOF-MS, α-glucosidase inhibitors (AGIs). This study suggests that PASs, as a by-product, has the potential to become a new raw material source for hypoglycemic functional food, providing an application prospect for commonly considered waste product.
研究领域:
药理学
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生物化学
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食品科学
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植物化学
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产品关联
DOI
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
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2021
·
IF 10.588
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.
研究领域:
分析化学
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材料科学
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生物医学
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产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2020
·Vol. 34
·期 10
·e4919
·
IF 1.728
Xinchi Feng,Kun Wang,Xintong Hu,Liwei Chai,Shijie Cao,Liqin Ding,Feng Qiu
Rhizoma coptidis has been used for a long time in China owing to its anti-bacterial, anti-diabetes, anti-hyperlipidemia and anti-obesity activities. However, the in vivo biotransformation of Rhizoma coptidis is still unclear to date. In this study, a three-step strategy using UPLC-Q-TOF/MS was applied to clarify the in vivo absorbed constituents and metabolites in rats after oral administration of Rhizoma coptidis. First, alkaloids in Rhizoma coptidis extract were identified. Second, six abundant alkaloids (berberine, palmatine, coptisine, epiberberine, jatrorrhizine, and columbamine) were selected as representative prototypes and the metabolic fates of them in rats were investigated to obtain a database of Rhizoma coptidis -derived metabolites. Finally, the metabolic profiles of Rhizoma coptidis were fully elucidated based on the above-mentioned results. In summary, 29 alkaloids were identified in Rhizoma coptidis , and a database of Rhizoma coptidis -derived metabolites was obtained with 144 characterized metabolites. A total of 89 xenobiotics including 12 absorbed constituents and 77 metabolites were identified in dosed rat biosamples. Major metabolic pathways of Rhizoma coptidis were hydroxylation, reduction, methylation, demethylation, demethylenation, desaturation, glucuronidation and sulfation. This is the first systematic study on the in vivo absorbed constituents and metabolic profiling of Rhizoma coptidis and will be beneficial for its further studies.
研究领域:
药理学
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分析化学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
·
2021
·
IF 3.205
Hua Guo,Yue-Hua Chen,Tian-Min Wang,Ting-Guo Kang,Hui-Yang Sun,Wen-Han Pei,Hui-Peng Song,Hui Zhang
The lack of direct connection between traditional herbal medicines and multiple biological targets is a bottleneck in herbal research and quality evaluation. To solve this problem, a strategy for the discovery of active ingredients from function-similar herbal medicines based on multiple biological targets was proposed in this article. The technical route includes chromatographic separation, mass spectrometry analysis, enzymatic activity detection, pharmacophore analysis and molecular docking. Five citrus herbs of Citri Reticulatae Pericarpium (CRP), Citri Exocarpium Rubrum (CER), Citri Grandis Exocarpium (CGE), Aurantii Fructus Immaturus (AFI) and Aurantii Fructus (AF) were used as the research objects. A total of 136 chemical components were identified from above five herbs based on LC-Q-TOF-MS/MS and database matching. The extracts of the five herbs showed obvious inhibitory effects on α-glucosidase and acetylcholinesterase in a concentration-dependent manner. Interestingly, the different types of components in the herbs exhibited selectivity for different targets: flavanone glycosides are effective on α-glucosidase but ineffective on acetylcholinesterase; polymethoxyflavonoids are effective on acetylcholinesterase but ineffective on α-glucosidase. Furthermore, we found for the first time that the components in citrus herbs exhibit opposite structure-activity relationships on the above two targets. For example, the methoxy group can enhance the activity of compounds on acetylcholinesterase but weaken the activity of compounds on α-glucosidase. The selective action is a supplement to the “multi-components, multi-targets” system of herbal medicines. Pharmacophore analysis and molecular docking were applied to explore the interaction between active ingredients and biological targets from the perspective of ligands and receptors, respectively. By combining the above multiple technologies, a strong connection among herbal medicines, chemical components and multiple biological targets was established. This work not only helps to understand the similar function of citrus herbs for the treatment of diabetes and Alzheimer's disease, but also provides selective lead compounds for the development of related drugs. This strategy is also helpful to improve the quality evaluation of citrus herbs from the perspective of biological activity.
研究领域:
药理学
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分析化学
·
中药学
·
分子生物学
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药物发现
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产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2023
·
IF 6
Li Wan,Hong Wang,Xinyuan Mo,Yueping Wang,Lianping Song,Liangyan Liu,Wenjuan Liang
Primary processing treatments are crucial to the flavor profile of coffee beans, which create the flavor precursors basis in coffee husks and diffuse into the beans, with satisfying outcomes. In this study, eleven coffee husks of Coffea arabica with different primary processing treatments (sun exposure, washing and honey treatment) from three latitudes of Yunnan were investigated by the combination of HS-SPME-GC-MS and PTR-TOF-MS. A total of 114 volatile organic compounds (VOCs) and 77 masses were identified. The characteristic compounds octanoic acid ( S1 ) and methyl linoleate ( S11 ) in sun-exposed, phenethyl alcohol ( F4 ), methyl salicylate ( F7 ), 3,5-dimethylbenzaldehyde ( F9 ) and phytone ( T9 ) in washed and n -hexadecanoic acid ( S9 ) of honey-treated husks were recognized by the ions at m/z 33.032, m/z 68.049, m/z 83.049, m/z 67.054, m/z 57.034, m/z 41.030 and m/z 49.010, respectively. This study demonstrated the feasibility and complementarity of HS-SPME-GC-MS and PTR-TOF-MS in the rapid identification of VOCs in coffee husks. Meanwhile, the antioxidant capacities of the 11 husks were evaluated in vitro , and the sun-exposed samples exhibited most promising potency, in which methyl salicylate ( F7 ), methyl linoleate ( S11 ), methyl linolenate ( S13 ), ethyl linoleate ( S14 ), ethyl linolenate ( S16 ), linalool ( T1 ), citronellol ( T2 ) and caffeine ( J3 ) contributed mainly to the antioxidant capacities.
研究领域:
食品科学
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分析化学
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农业科学
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产品关联
DOI
高影响因子
JOURNAL OF FOOD AND DRUG ANALYSIS
·
2020
·
IF 4.727
Li Li,Meng-Lin Fan,Ya-Nan Li,Ya-Xuan Huang,Xiu-Feng Liu,Ji-Hua Liu
Proprotein convertase subtilisin/kexin type 9 (PCSK9) is an attractive target for new cholesterol-lowering drug development. Here, we developed a method integrating ligand fishing, HPLC-Q-TOF-MS and interdisciplinary assay, aiming to explore potential PCSK9 inhibitors from mixtures rapidly and accurately. PCSK9 was expressed and purified firstly, and then the recombined PCSK9 was coated on the surface of magnetic beads (MBs). The PCSK9-immobilized MBs (PCSK9-MBs) were used for ligand fishing combined with HPLC and Q-TOF-MS/MS. Ginkgo biloba leaves (GBL), an herbal medicine widely used in Asia and Europe with good efficacy in treatment of hypercholesterolemia, were chosen as an illustration for ligand fishing. Two PCSK9 ligands were discovered from GBL and identified as kaempferol-3-O-rutinoside (1) and kaempferol 3-O-26″-(6‴-p-coumaroyl) glucosylrhamnoside (KCGR) (2). In order to verify fishing results and pick out more powerful PCSK9 inhibitors, molecular docking assay was further performed and KCGR was optimized to be an excellent PCSK9 inhibitor by the confirmation of affinity and activity bioassay. These results suggested that the developed approach could be applied to screen and analysis potential bioactive constituents from mixtures, which may improve the efficiency of drug discovery. Moreover, KCGR separated from GBL was expected to be a potential candidate of PCSK9 inhibitors.
研究领域:
药理学
·
分析化学
·
分子生物学
·
药物发现
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2021
·
IF 7.514
Xizhe Fu,Tarun Belwal,Yihan He,Yanqun Xu,Li Li,Zisheng Luo
Natural deep eutectic solvent (NADES) has received increasing interest as a green alternative to traditional organic solvents for efficient extraction of bioactive compounds from natural sources. In this study, phytochemicals in Carya cathayensis Sarg. peels extracted with Choline chloride-Malic acid (ChCl-MA) were identified using UPLC-Triple-TOF/MS. Effect of NADES on phenolic composition, antioxidant properties and inhibition of α-glucosidase and α-amylase were evaluated. Furthermore, extraction mechanism caused by different solvents were investigated by quantum chemical calculation combined with molecular dynamic simulation. A total of 29 phytochemicals were identified, and catechin, procyanidin B1, 2,3-dihydroxybenzoic acid, pinocembrin, procyanidin B3, myricetrin were the most abundant compounds. The extract using ChCl-MA exhibited the highest phenolic compounds content, antioxidant capacity, and α-glucosidase and α-amylase inhibition activities. Larger solvent accessible surface area, more hydrogen bonds between ChCl-MA and extract, longer lifetime of the hydrogen bonds, and lower intermolecular interaction energy account for higher extraction efficiency of ChCl-MA.
研究领域:
植物化学
·
食品科学
·
分析化学
✓ 已验证
DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2018
·
IF 2.831
Yi Tao,Surun Huang,Xianghui Gu,Weidong Li,Baochang Cai
Alkaline phosphatase conjugated magnetic microspheres were synthesized via amide reaction, and employed as an effective adsorbent in affinity selection of binding ligands followed by UHPLC-Q-TOF/MS analysis. The analytical validity of the developed approach was evaluated under optimized conditions and the following figures of merit were obtained: linearity, 0.01–0.5 g L −1 with good determination coefficients (R 2 = 0.9992); limits of detection (LODs), 0.003 g L −1 ; and limits of quantitation (LOQ), 0.01 g L −1 . The precision (RSD%) of the proposed affinity selection approach was studied based on intra-day (0.8%) and inter-day (1.3%) precisions. Finally, the adsorbent was successfully applied to identification of binding ligands in Li-Dan-Hua-Shi pills and good recoveries were obtained in the range from 96.9 to 99.4% (RSDs 1.6–3.0%).
研究领域:
药学
·
分析化学
·
中药学
✓ 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）