MOLECULES
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2024
·Vol. 29
·期 8
·1733
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IF 4.2
Shuo Zhang,Ze Liu,Xinyu Xu,Ruihua Zhao,Shujiang Zhang,Rong Luo
In traditional Chinese medicine, Aurantii Fructus Immatures (AFIs) have been utilized for more than 2000 years. The proportions of different fruit parts are crucial for evaluating AFI quality in China. However, the basis for this statement’s substance is unclear. Differences in quality are intimately correlated with a plant’s metabolite composition. On the basis of a widely targeted metabolome, this study intended to investigate the metabolite composition and evaluate the antioxidant capacity of the peel and pulp of an AFI. Metabolites were identified and quantified by UHPLC-QqQ-MS. To assess their antioxidant ability, DPPH and ABTS assays were carried out. There were 1327 chemical compounds identified by UHPLC-QqQ-MS. After screening the differential metabolites using a multivariate statistical analysis, it was found that there were 695 significant differences in the metabolites between the peel and the pulp. Among them, it was discovered that the content of active ingredients in the peel group was higher than that in the pulp group. Furthermore, the aqueous extracts from the peel showed stronger antioxidant capacities than those from the pulp. The metabolites and antioxidant capacities were significantly different between the peel and the pulp. This study of different fruit parts might provide a guide for AFI quality assessments.
研究领域:
药理学
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中药学
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代谢组学
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植物科学
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DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2025
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IF 2.8
Yingfeng Gao,Ruiwei Xu,Huixia Liu,Shuyu Jia,Yi Zhang,Xin Meng,Jicheng Gong
Oxidative stress biomarkers have been associated with both acute and chronic health outcomes. However, traditional methods analyze different biomarkers separately, resulting in complex sample preparation, high sample consumption, lengthy processing time, and limited comparability. In this study, we presented a newly developed and validated method for the simultaneous determination of oxidative stress from multiple perspectives (DNA, lipids, and antioxidants). Using a one-step solid-phase extraction and ultra-high-performance liquid chromatography coupled with triple-quadrupole tandem mass spectrometry (UHPLC-QqQ-MS/MS), we measured four oxidative stress related biomarkers in urine simultaneously, within a run time of only 12 min. These biomarkers included 8-hydroxy-2′-deoxyguanosine (8-OHdG), 6-sulfatoxymelatonin (aMT6s), 8-isoprostaglandin-F 2α (8-isoPGF 2α ), and 11-dehydro thromboxane B 2 (11-DH-TXB 2 ). The calibration curves showed wide linear ranges (0.4–800 ng/mL for 8-OHdG, 0.2–600 ng/mL for aMT6s, 0.4–600 ng/mL for 8-isoPGF 2α , and 0.4–600 ng/mL for 11-DH-TXB 2 ), with r 2 values above 0.9932 for all analytes. The method demonstrated excellent sensitivity, with detection limits below 0.12 ng/mL, and good precision, with intra- and inter-day coefficients of variation ranging from 1.2 % to 14.4 %. We applied this method to urine samples from two populations living at different altitudes and found significantly higher levels of both 8-OHdG and 11-DH-TXB 2 in the high-altitude group, likely due to hypobaric hypoxia. In the future, this new method could be applied in large-scale epidemiological studies to investigate biological mechanisms of oxidative stress in health risks or for clinical diagnosis.
研究领域:
分析化学
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医学
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环境健康科学
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DOI
PubMed
高影响因子
Arabian Journal of Chemistry
·
2024
·
IF 5.3
Chuanxi Tian,Jinyue Zhao,Qian Wang,Keke Luo,Shuang Zhao,Li Wan,Jiarui Li,Kaile Ma,Yanyan Zhou,Min Li
Background Huashi Baidu granule (HSBD), an approved herbal formula for treating COVID-19, demonstrates safety and efficacy. Despite its market approval, the detailed methodology and identification of its active components remain unexplored, leaving its bioactive constituents and action mechanisms unclear. Methods This study investigated the potential mechanisms of HSBD’s active ingredient in treating COVID-19. Our approach integrated various techniques, including the UHPLC-QqQ-MS/MS method, analysis of the GEO database, network pharmacology, surface plasmon resonance, molecular docking and molecular dynamics simulations, to formulate a comprehensive research strategy. Results The UHPLC-QqQ-MS/MS method employed for HSBD analysis proved stable, reliable, and reproducible. We identified 25 principal components in HSBD, with 7 compounds detected in plasma, namely Pogostone, P-Hydroxybenzoic acid, Paeoniflorin, Rhein, Emodin, Ephedrine hydrochloride, and Pseudoephedrine hydrochloride. Protein-Protein Interaction (PPI) network analysis identified MMP9 as a pivotal target. Surface plasmon resonance analysis revealed that Paeoniflorin and Rhein exert their antiviral effects by interacting with RBD and ACE2. In contrast, Emodin’s antiviral mechanism predominantly involves binding to MMP9. Molecular docking results indicated strong binding affinities of Rhein and Paeoniflorin to the hACE2 protein, and high binding affinities of Emodin to the MMP9 protein, all of which were corroborated by molecular dynamics simulations. Conclusion We investigated the methodology and identified the active components of HSBD, focusing on those absorbed into the plasma, to elucidate the effective material basis of HSBD in the treatment of COVID-19, our research offered insightful exploration into its mechanisms of action against COVID-19.
研究领域:
药理学
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医学
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生物化学
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分子生物学
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DOI
高影响因子
Food Science and Human Wellness
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2024
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IF 5.6
Qiaozhi Zhang,Huatao Li,Ruixing Zheng,Lili Cao,Shufen Zhang,Shuifeng Zhang,Huadong Sheng,Yuhao Jiang,Yanbo Wang,Linglin Fu
Advanced glycation end-products (AGEs) are a group of heterogeneous compounds formed in heat-processed foods and are proven to be detrimental to human health. Currently, there is no comprehensive database for AGEs in foods that covers the entire range of food categories, which limits the accurate risk assessment of dietary AGEs in human diseases. In this study, we first established an isotope dilution UHPLC-QqQ-MS/MS-based method for simultaneous quantification of 10 major AGEs in foods. The contents of these AGEs were detected in 334 foods covering all main groups consumed in Western and Chinese populations. Nε -Carboxymethyllysine, methylglyoxal-derived hydroimidazolone isomers, and glyoxal-derived hydroimidazolone-1 are predominant AGEs found in most foodstuffs. Total amounts of AGEs were high in processed nuts, bakery products, and certain types of cereals and meats (> 150 mg/kg), while low in dairy products, vegetables, fruits, and beverages (< 40 mg/kg). Assessment of estimated daily intake implied that the contribution of food groups to daily AGE intake varied a lot under different eating patterns, and selection of high-AGE foods leads to up to a 2.7-fold higher intake of AGEs through daily meals. The presented AGE database allows accurate assessment of dietary exposure to these glycotoxins to explore their physiological impacts on human health.
研究领域:
营养学
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食品安全
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生物化学
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DOI
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2024
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IF 6
Yan Zhang,Yuyang Liu,Wannan Li,Weiwei Han
Antioxidant peptides can be obtained from diverse dietary protein sources with high safety. The Kelch-like ECH-associated protein 1(Keap1) is a key protein in the cellular oxidative stress signaling pathway and it plays an important role in the field of antioxidant. Soybeans are a vital source for the production of bioactive peptides. In this study, firstly, we screened 468 antioxidant peptides from soybean protein with low molecular weight, high hydrophobicity and non-toxicity. The top three antioxidant peptides were isolated and extracted from the fractions using UHPLC-QQQ/MS analysis. The free radical scavenging rate demonstrated significant antioxidant activity of PHHADS (EC 50 = 4.26 mmol/L). In addition, peptide PHHADS was demonstrated significantly protects HepG2 cells from oxidative stress-induced damage. Lastly, 200 ns molecular dynamics simulations were performed between the peptides and Keap1. The results revealed that PHHADS closely interacts with the active site of Keap1. Moreover, the interaction of the antioxidant peptides with Keap1 led to the disruption of the β-sheet structure of Keap1 in residues380-390, transforming into an irregularly curved structure. This particular region in Keap1 is crucial for substrates binding, suggesting a potential inhibitory mechanism by the peptides. These findings contribute to the understanding of antioxidant peptide interactions and their potential application in developing functional foods for health benefits.
研究领域:
食品科学
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生物化学
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分子生物学
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药理学
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DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2024
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IF 3.1
Chi Zhang,Haipiao Huang,Changhui Li,Lifang Wei,Jingru Wu,Rui Wang,Shiying Huang,Qiugu Chen,Pingli Mo,Yinghao Yin,Jianping Chen
The dysregulated levels of branched chain amino acids (BCAA) contribute to renal fibrosis in chronic kidney disease (CKD), yet specific analysis of BCAA contents and how they are regulated still remain unclear. It is therefore of great scientific interest to understand BCAA catabolism in CKD and develop a sensitive method for simultaneous determination of individual BCAA and their metabolites branched chain α-ketoacids (BCKA). In this work, the important role of BCAA metabolism that drives renal fibrosis in the process of CKD was first revealed by using transcriptomics. The key target genes controlling BCAA metabolism were then validated, that is, mRNA levels of BCKDHA and BCKDHB , the regulating rate-limiting enzymes during BCAA metabolism were abnormally reduced by quantitative PCR (qPCR), and a similar drop-off trend of protein expression of BCKDH, HIBCH and MCCC2 that are closely related to BCAA metabolism was also confirmed by western blotting. Furthermore, we established a novel strategy that simultaneously determines 6 individual BCAA and BCKA in serum and tissue. The method based on dansylhydrazine derivatization and ultra-high performance liquid chromatography-tandem triple quadrupole mass spectrometry (UHPLC-QQQ-MS) achieved to simultaneously determine the contents of BCAA and BCKA, which is efficient and stable. Compared with normal rats, levels of BCAA including leucine, isoleucine and valine in serum and kidney of CKD rats was decreased, while BCKA including α-ketoisocaproic acid, α-ketomethylvaleric acid and α-ketoisovaleric acid was increased. Together, these findings revealed the abnormality of BCAA metabolism in driving the course of kidney fibrosis and CKD. Our current study sheds new light on changes in BCAA metabolism during CKD, and may facilitate development of drugs to treat CKD and renal fibrosis.
研究领域:
肾病学
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代谢组学
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分子生物学
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DOI
PubMed
高影响因子
Chinese Medicine
·
2021
·Vol. 16
·期 1
·1-12
·
IF 5.455
Hu Yan,Wang Zhe,Xia Fangbo,Yang Wen,Liu Yuan-Cai,Wan Jian-Bo
Background The Chinese medicinal wine made from herbal medicines became prevalent among Chinese people. The Chinese herbal spirit is composed of several herbal extracts, and has the certain health functions, such as anti-fatigue and immune regulation. The quality evaluation of Chinese herbal spirit is greatly challenged by the enormous and complex components with great structural diversity and wide range of concentration distribution.Methods An ultra-high performance liquid chromatography coupled to triple quadrupole mass spectrometry (UHPLC-QQQ-MS/MS) with multiple reaction monitoring (MRM) method was developed to simultaneously determine forty-three bioactive components in the Chinese herbal spirits produced by year 2014 and 2018.Results Quantitative results showed that 11 components, i.e.., puerarin (5), purpureaside C (7), daidzin (8), echinacoside (9), acteoside (15), epimedin B (22), epimedin C (23), icariin (24), eugenol (27), chikusetsusaponin iva (30) and Z-ligustilide (40), significantly decreased along with the increasing years of storage, while 5 compounds, i.e.., geniposidic acid (1), protocatechuic acid (2), crustecdysone (14), daidzein (18) and icariside I (35), were basically stable in all samples across the years.ConcusionThe established method allowing to simultaneously determined 43 components with wide structural diversity and trace amounts will facilitate the quality control research of Chinese herbal spirits.
研究领域:
分析化学
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中药学
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食品科学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2022
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IF 9.231
Lukai Ma,Yun Cui,Feng Wang,Huifan Liu,Weiwei Cheng,Lianxin Peng,Charles Brennan,Soottawat Benjakul,Gengsheng Xiao
This study aimed to develop and evaluate a method for simultaneously analyzing malondialdehyde (MDA) and two typical toxic α,β-unsaturated aldehydes, 4-hydroxy-2-hexenal (HHE), and 4-hydroxy-2-nonenal (HNE), using ultra-high-performance liquid chromatography with triple quadrupole mass spectrometry (UHPLC-QqQ-MS/MS). The method possessed widely linear range (10–1000 ng/mL). The limit of detection (LOD) and limit of quantitation (LOQ) of MDA, HHE, and HNE were 2.0 and 5.0 ng/g, 2.0 and 5.0 ng/g, and 0.1 and 0.3 ng/g, respectively; the recovery rates all fall into 95.56–104.22 %. The method was sufficiently precise (<5%), and not affected by the analysis matrix. Application to 17 food products revealed total MDA, HHE, and HNE contents were 0.11–3.56, 0.05–3.32, and 0.09–3.70 μg/g, respectively. It will be useful in future research on the influence of food composition and main substrate structure on the generation and distribution of these three aldehydes and the implementation of corresponding control methods.
研究领域:
食品科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2026
·
IF 10.4
Jiajun Chen,Nan Zhu,Feixuan Wang
A simultaneous detection of MDA/4-HHE/4-HNE method is developed by UHPLC-QqQ-MS/MS. • Optimized derivatization and purification reduced interference from lipid impurities. • This validated method showed high sensitivity/precision with low LOD/LOQ. • Micrograms per kilogram level sensitivity capably monitors lipid peroxidation in oily food. A novel and sensitive method using ultra-high performance liquid chromatography-tandem triple quadrupole mass spectrometry (UHPLC-QqQ-MS/MS) was developed for the simultaneous determination of three lipid oxidation markers: malondialdehyde (MDA), 4-hydroxy-2-hexenal (4-HHE), and 4-hydroxy-2-nonenal (4-HNE) in edible oils and nuts. Optimization of 2,4-dinitrophenylhydrazine (DNPH) derivatization and solid-phase extraction (SPE), combined with isotope compensation to ensure high analytical performance: linearity ( R ≥ 0.9990), precision (RSD ≤ 18.75%), accuracy (SD ≤ 19.24%), recovery (80.34–119.78%). Limit of detection (LOD) and limit of quantification (LOQ) ranged from 0.25 to 0.50 μg/kg and 0.50–2.50 μg/kg, respectively. This validated method was further applied to monitor lipid peroxidation levels, revealed that thermal processing significantly increases MDA/4-HHE/4-HNE contents, which reached 7.80 mg/kg from 26.50 μg/kg in oils and 0.98 mg/kg from 8.27 μg/kg in nuts. Notably, the accumulation of MDA and 4-HHE in edible oils was approximately tenfold higher than in nuts. A novel and sensitive method using UHPLC-QqQ-MS/MS was developed for the simultaneous determination of three lipid oxidation markers: MDA, 4-HHE and 4-HNE in edible oils and nuts. Optimization of DNPH derivatization and SPE, combined with isotope compensation to ensure high analytical performance. Download: Download high-res image (119KB) Download: Download full-size image
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DOI
PubMed
高影响因子
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