FOOD CHEMISTRY
·
2024
·
IF 8.5
Jiabao Chen,Xiufang Wang,Xiaodong Xin,Yuguang Zheng,Fangjie Hou,Chunhua Li,Long Guo,Lei Wang
Perillae Folium (PF), the leaf of Perilla frutescens (L.) Britt is extensively used as culinary vegetable and medicinal herb in many countries. Purple PF ( P. frutescens var. arguta ) and green PF ( P. frutescens var. frutescens ) are two of the main varieties. In this study, UHPLC-Q-TOF/MS assisted with feature-based molecular networking (FBMN) was applied for chemical characterization. In total, 82 metabolites, mainly phenolic acid derivatives were identified from PF. With the help of FBMN, five organic acid glucosides together with three N -phenylpropenoyl-L-amino acids (NPAs) were identified in PF using FBMN for the first time. Multivariate statistical methods were utilized for comprehensive comparison of purple and green PF profiles. 12 compounds with their relative contents varied significantly between purple and green PF were screened out. Overall, the present study offers valuable insights for chemical elucidation of PF which would be helpful for comprehensive utilization of a PF resource.
研究领域:
药用植物学
·
分析化学
·
植物科学
✓ 已验证
DOI
PubMed
高影响因子
Arabian Journal of Chemistry
·
2024
·
IF 5.3
Dong Xie,Guangfu Lv,Yuchen Wang,Wenjing Zhang,Nian Li,Yao Duan,Qing Huang,Ge Chen,Zifeng Pi,Hao Yue
Tenghuang Jiangu Wan (THJGW) is a commonly utilized treatment for osteoarthritis (OA), yet its pharmacodynamic material basis and molecular mechanism remain inadequately understood. This study systematically characterized the in vitro and in vivo chemical components of THJGW using ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). The pharmacodynamic material basis of THJGW in the treatment of OA was explored through a target network pharmacology approach and molecular docking technology. Cellular experiments were subsequently employed to validate the molecular mechanisms. Consequently, a total of 134 components from THJGW were identified in vitro , comprising 45 flavonoids, 10 iridoid glycosides, 39 phenylethanoid glycosides, 9 phenylpropanoids, 11 organic acids, 4 phenolics, and 16 other compounds. Additionally, 38 prototype absorbed components in serum were characterized for the purpose of network construction. 11 key components and 10 core targets (VEGFA, STAT3, RELA/NF-κB p65, PIK3R1, PIK3CA, MMP9, MMP1, IL-6, HDAC1, and FGF2) were determined by the target network pharmacology. Through Gene Ontology (GO) enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis, it was found that these intersection targets are associated with various signaling pathways such as pathways in cancer, lipid and atherosclerosis, and prostate cancer. Notably, the lipid and atherosclerosis pathway was closely linked to OA. The molecular docking results demonstrated strong binding affinities of the three core targets: IL-6, STAT3, and RELA/NF-κB p65. These results suggest that these targets may play a significant role for THJGW in treating OA. In vitro experiments showed that THJGW had notable protective effects on LPS-induced RAW264.7 macrophages by reducing levels of TNF-α and IL-6, and inhibiting phosphorylation expression of STAT3 and NF-κB p65 proteins related to the lipid and atherosclerosis pathway. This study provides insight into the pharmacodynamic material basis and mechanism of action for THJGW in the treatment of OA, which provide scientific evidence for the scientific application and improvement of quality standards for THJGW.
研究领域:
药理学
·
生物化学
·
分子生物学
·
中医药
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Chenyu Jiang,Xinghe Zhang,Jiahui Yu,Ling-zhi Cheong,Xingguo Wang,Wei Wei
Herein, polar lipids, including glycerophospholipid, lysophospholipid, cholesterol (CHOL), sphingomyelin (SM), and ceramide (Cer), in human breast milk were subjected to lipidomic analysis via UPSFC-Q-TOF-MS. A total of 11 lipid classes and 195 molecular species were identified and quantified in human breast milk samples ( n = 126) from three lactational stages across three regions in China. CHOL and SM together account for more than 50 % of the total polar lipids. The total polar lipids, SM, and phosphatidylethanolamine (PE) were ∼ 54.5, ∼17.8, and ∼ 3.5 mg/100 mL, respectively, which both significantly ( P < 0.05) increased from colostrum to later lactational stages. DHA is highly enriched (68 % of the total DHA) in PE molecules. SM and Cer contain high ratios of nervonic acid (24:1 n-9), ∼35 % and ∼ 23 %, respectively. General patterns exist in the variation of polar lipid molecular species in human breast milk across different regions throughout the lactational stages.
研究领域:
营养学
·
脂质组学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
PLANT CELL TISSUE AND ORGAN CULTURE
·
2024
·Vol. 156
·期 2
·1-11
·
IF 2.3
Zhang Gaowei,Luo Liping,Tian Kaili,Ning Fangjian,Wu Dong,Sun Qifang,Yu Wenjie,Yi Shengxiang,Hao Yingbin
Dendrobium officinale is a perennial herb with medicinal and edible qualities. The growth and nutritional properties of this plant are significantly affected by the light quality. However, the impact of varying light quality on the phytochemical characteristics of tissue-cultured seedlings of D. officinale is still unknown. In this study, tissue-cultured seedlings of D. officinale were grown for ninety days under six LED lights, including white light (W), blue LED (B), red LED (R), and three composite light environments with varying quantities of red and blue light: 1:2 (R1B2), 1:1 (R1B1), and 2:1 (R2B1). The growth status and physiological signs of the seedlings were analyzed and we used high-performance liquid chromatography (HPLC), ultra-performance liquid chromatography/time-of-flight mass spectrometry (UPLC-Q/TOF-MS), and pathway enrichment analysis to thoroughly examine the metabolomic changes, with a focus on phenolic compounds. Our results indicated that R2B1 illumination led to the best growth of D. officinale seedlings, with maximal energy absorption, and phenolic contents. In conclusion, R2B1 was considered the most profitable for tissue-culture production of D. officinale .
研究领域:
植物学
·
药用植物学
·
代谢组学
✓ 已验证
DOI
高影响因子
RSC Advances
·
2026
·Vol. 16
·期 15
·13572-13584
·
IF 6.1
Yirang Wang,Zhongquan Li,Jiahui Cheng,Tingyuan Zheng,Peijie Chen,Xiaojun Deng,Pei-chao Zhang,Bing Liu
5α Reductase inhibitors (finasteride and dutasteride) have been classified as monitored substances by the World Anti-Doping Agency (WADA) due to their potential abuse as masking agents for anabolic-androgenic steroids. As a member of the same class of inhibitors, epristeride shares a similar pharmacological mechanism of action and thus poses an inherent risk of abuse. However, current research on the metabolic characteristics of epristeride remains limited, which hinders its effective monitoring in anti-doping practices. In this study, a zebrafish model combined with liquid chromatography-quadrupole-time-of-flight mass spectrometry (LC-Q-TOF MS) was employed to systematically investigate the metabolic transformation of epristeride in vivo. Additionally, omics analysis was utilized to elucidate the effects of epristeride administration on endogenous metabolic pathways. A total of 11 epristeride metabolites were successfully identified, including 4 phase I metabolites and 7 phase II metabolites, primarily involving metabolic reactions such as oxidation, methylation, and glucuronide conjugation. Omics analysis revealed that N,N-dimethyldecylamine oxide (DDAO) with an AUC value of 0.80 could serve as a potential biomarker. Pathway enrichment analysis indicated that epristeride significantly perturbed purine metabolism and aromatic amino acid biosynthesis. These findings provide a more precise understanding of the metabolic fate of epristeride in organisms, offering a scientific basis for the development of accurate detection methods.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
·
2019
·
IF 3.414
Xia Gao,Chaojie Huang,Ting Geng,Xialin Chen,Jiajia Wang,Jingying Liu,Kun Duan,Liang Cao,Zhenzhong Wang,Wei Xiao
Ethnopharmacological relevance Reduning injection (RDN), a patented traditional Chinese medicine , has the obvious antipyretic effect and has been widely used in China. Although some previous studies proved its antipyretic effect by animal efficacy experiment or clinical observation, its holistic mechanism in vivo was still unclear. Aim of the study To comprehensively elucidate the antipyretic mechanism of RDN, the investigation of fever-related potential biomarkers and metabolic pathways in the rat fever model is described in this paper. Materials and methods Rat fever model was established by dry yeast. A large number of endogenous metabolites in serum and urine were detected by UPLC-Q-TOF/MS, and fever-related potential biomarkers were screened and identified by multivariate analysis and metabolite databases. The reliability and biological significance of the largely disturbed biomarkers was verified by the metabolic network and the correlation with pharmacodynamic indicators, which contained IL-1β, IL-6, TNF-α, PGE 2 and cAMP. Results The established UPLC-Q-TOF/MS analytical method afforded satisfactory results in terms of precision, repeatability and stability, which met the requirements of biological sample determination. A total of 32 potential biomarkers associated with fever were screened and identified, among which 22 species could be adjusted by RDN. The metabolism pathway analysis revealed that valine , leucine and isoleucine biosynthesis, and sphingolipid metabolism were greatly disturbed. Their biomarkers involved L-leucine, L-valine, sphinganine and phytosphingosine , all of which showed a callback trend after RDN was given. These 4 biomarkers had a certain correlation with some known fever-related small molecules and pharmacodynamic indicators, which indicated that the selected fever-related biomarkers had certain reliability and biological significance. Conclusions RDN has a good regulation of the metabolic disorder of endogenous components in dry yeast-induced fever rats. Its antipyretic mechanism is mainly related to the regulation of amino acid, lipid and energy metabolism. The study is useful to better understand and analyze the pharmacodynamic mechanism of complex systems, such as traditional Chinese medicine.
研究领域:
药理学
·
民族药理学
·
代谢组学
·
中药
✓ 已验证
产品关联
DOI
PubMed
高影响因子
TALANTA
·
2018
·
IF 4.244
Chan Gao,Deshuai Zhen,Ni He,Zhengbin An,Qiulan Zhou,Chenyi Li,Craig A. Grimes,Qingyun Cai
High surface area (136 m 2 g −1 ) nanoporous two-dimensional TiO 2 nanoflakes are applied as an adsorbent and meanwhile a matrix for toxic small molecule analysis using positive-ion surface-assisted laser desorption/ionization time-of-flight mass spectrometry (SALDI-TOF MS). The TiO 2 nanoflakes enable one-step enrichment and analysis, greatly simplifying the analysis technique. Due to the high enrichment efficiency and low background noise, small molecule organic contaminants at ppt or even sub-ppt concentrations such as malachite green (10 pg/mL), leucomalachite green (10 pg/mL), cetyltrimethylammonium bromide (0.001 pg/mL), rhodamine B (0.001 pg/mL), and crystal violet (0.1 pg/mL) were detected. In addition, malachite green and its metabolite leucomalachite green at ng/mL concentrations were successfully detected from fish blood and fish extracts, and crystal violet and its homologues at ng/cm 2 concentrations were detected from inks on thermal receipt papers obtained from local supermarket.
研究领域:
分析化学
·
环境科学
·
毒理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2015
·
IF 2.979
Yang Li,Guisheng Zhou,Ying Peng,Pengfei Tu,Xiaobo Li
Acteoside, isoacteoside, and 2′-acetylacteoside are three representative phenylethanoid glycosides (PhGs), which are widely distributed in many plants and also known as the active components of Cistanches Herba . However, the extremely low oral bioavailability of acteoside in rats implies that these structural similar components may go through multiple sequential routes of hydrolysis in gastrointestinal tract before they are absorbed into blood. Therefore, the metabolites of these three components and other PhGs from gastrointestinal tract such as echinacoside, are supposed to be the bioactive elements. In this study, we established an approach combining ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UPLC/Q-TOF-MS) with MS E technology and MetaboLynx™ software for the rapid metabolic profiling of acteoside, isoacteoside, and 2′-acetylacteoside by human intestinal bacteria. As a result, 11 metabolites of acteoside, 7 metabolites of isoacteoside, and 11 metabolites of 2′-acetylacteoside were identified respectively. 8 metabolic pathways including deglycosylation, de-rhamnose, de-hydroxytyrosol, de-caffeoyl, deacetylation, reduction, acetylation, and sulfate conjugation were proposed to involve in the generation of these metabolites. Furthermore, we found that the degraded metabolites hydroxytyrosol (HT) and 3-hydroxyphenylpropionic (3-HPP) were transformed from acteoside, isoacteoside, and 2′-acetylacteoside by human intestinal bacteria and demonstrated similar bioactivities to their precursors. These findings are significant for our understanding of the metabolism of PhGs and the proposed metabolic pathways of bioactive components might be crucial for further pharmacokinetic evaluations of Cistanches Herba .
研究领域:
药理学
·
微生物学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2014
·Vol. 28
·期 10
·1325-1334
·
IF 1.662
Zhangxiao Peng,Yan Wang,Xue Gu,Xiaojie Guo,Chao Yan
A method based on high-performance liquid chromatography coupled with ultraviolet detection was developed for studying the pharmacokinetics of costunolide (Cos) and dehydrocostus lactone (Dehy) in rats after intravenous (i.v.) administration. Following i.v. administration, the maximum plasma concentrations of Cos and Dehy were observed to be 12.29 ± 1.47 and 5.79 ± 0.13 µg/mL, respectively. The bioavailability of Cos was larger than that of Dehy; however, the clearance and the volume of distribution of Dehy were much larger than those of Cos. An ultraperformance liquid chromatography/quadrupole time-of-flight mass spectrometry system with automated MS E (E represents collision energy) data analysis software (MetaboLynx TM ) was used to analyze and identify the metabolites of Cos and Dehy in vivo . Four metabolites of Cos and six metabolites of Dehy were discovered from the plasma, urine and feces of rats. The main metabolic pathway of Cos was phase II biotransformation, but the main metabolic pathways of Dehy was phase І biotransformation. Two sequential desaturations and N -acetylcysteine conjugation were the common metabolic pathways of Cos and Dehy in rats. This information may be useful for the further development of the two drug candidates. Copyright © 2014 John Wiley & Sons, Ltd.
研究领域:
药理学
·
分析化学
·
药物代谢
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2018
·
IF 2.831
Meimei Cheng,Huan Wu,Hongfei Wu,Xiaochuang Liu,An Zhou
The direct cause of hepatolenticular degeneration (HLD) is copper metabolic disorder caused by autosomal recessive inheritance. Gandou decoction (GDD), a classical traditional Chinese medicine formula, exhibits unambiguous therapeutic effect on HLD in China for decades. However, the mechanism of effect on HLD is not clear. With this purpose, the effects of copper content and histopathology inspection on the HLD rat model were investigated. Then, metabolomics study based on ultra-performance liquid chromatography quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF/MS E ) analysis and multivariate statistical analysis was adopted to further reveal the mechanism of action of GDD against HLD. The results showed that the characteristics of liver tissues after GDD treatment were significantly reversed, close to the control group, suggesting that GDD has a therapeutic effect on HLD. Furthermore, HLD interferes with 2 metabolites of the metabolic pathway in rats. Among them, up-regulation of Lactic acid, Tryptophan, Phenylalanine, Triacylglycerol and down-regulation of Linoleic acid, Alpha Linolenic acid, Phosphatidylcholine, Taurine is particularly significant. Analysis of metabolic pathways by a unique pathway analysis revealed significant changes in several pathways including lipid metabolism, amino metabolism and glucose metabolism in HLD. This study showed that GDD could provide satisfactory therapeutic effects on HLD and metabolomics study can be utilized to further understand the molecular mechanisms.
研究领域:
医学
·
药理学
·
代谢组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
RSC Advances
·
2022
·Vol. 12
·期 24
·15215-15221
·
IF 4.036
Xiu-Ying Chen,Yong-hui Wang,Shu-Yue Ren,Shuang Li,Yu Wang,Kang Qin,Sen Li,Dian-Peng Han,Yuan Peng,Tie Han,Zhi-Xian Gao,Bao-Xiang Gao,Huan-ying Zhou
Traditional matrices for matrix-assisted laser desorption/ionization mass spectrometry (MALDI-TOF MS) are usually crystalline small molecules. The heterogeneous co-crystallization of the analyte and the matrix creates a sweet spot effect and reduces point-to-point reproducibility. In this study, an amorphous poly-N-vinylcarbazole polymer (PVK) was studied as a novel matrix for MALDI-TOF MS to detect various low molecular weight compounds (LMWCs) in the negative ion mode. The PVK achieved excellent matrix action and showed high sensitivity, good salt tolerance, and reproducibility. These results significantly broaden the design rules for new and efficient polymeric MALDI matrices.
研究领域:
分析化学
·
质谱学
·
高分子科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Foods
·
2023
·Vol. 12
·期 7
·1519
·
IF 5.2
Yan Lu,Jinxia Dai,Sen Zhang,Junqin Qiao,Hongzhen Lian,Li Mao
It is widely acknowledged that casein is an important allergenic protein in milk which may cause danger to customers. The identification and confirmation of caseins through mass spectrometry requires the selection of suitable characteristic peptides. In this study, by means of matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS), the three most representative specific peptides of caseins in cow milk were screened out with mass-to-charge ratios (m/z) of 830, 1195, and 1759, respectively. By comparing 2,5-dihydroxybenzoic acid (DHB) andα-cyano-4-hydroxycinnamic acid (CHCA) MALDI matrices, it was found that DHB was more suitable for peptide detection with the limits of detection (LODs) of 0.1 mg/L forα,β-casein. Furthermore, on the basis of verifying the characteristic peptides of casein from cow milk, this protocol was applied to goat milk authentication. Cow milk addition in goat milk was investigated by using the screened specific peptides. The results showed that the adulteration could be identified when the proportion of cow milk was 1% or more. When applied to inspect adulteration in five brands of commercial goat milk, specific peptides of bovine casein were detected in four of them. The method has the advantages of strong reliability, high throughput, simple preprocessing, and fast speed, which can provide powerful help for prewarning dairy allergen.Keywords:goat milk authentication;allergen;bovine casein;specific peptide;matrix-assisted laser desorption ionization time-of-flight mass spectrometry
研究领域:
食品科学
·
分析化学
·
质谱分析
✓ 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）