INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2022
·Vol. 23
·期 23
·14903
·
IF 6.208
Henan Shi,Zhuqing Wang,Fujie Xu,Jialin Li,Jing Li,Manyuan Wang
In 1972, Nobel laureate Youyou Tu’s research team conducted clinical trials on the dried material ofArtemisia annuaL. from Beijing extracted by ether and then treated with alkali (called “ether neutral dry”), which showed that artemisinin was not the only antimalarial component contained. The biosynthesis of sesquiterpenoids inA. annuahas increased exponentially after unremitting cultivation efforts, and the plant resources are now quite different from those in the 1970s. In consideration of emerging artemisinin resistance, it is of great theoretical and practical value to further study the antimalarial activity ofA. annuaand explore its causes. The purpose of this study is to clarify scientific questions, such as “What ingredients are synergistic with artemisinin inA. annua?”, and “Are there non-artemisinin antimalarial ingredients inA. annua?”. In this paper, Beijing wildA. annuawas used as a control and two representative cultivation species ofA. annuawere selected to evaluate the antimalarial activity of the herbal medicine. The antimalarial activity of different extracts on mice was studied using the Peters’ four-day suppressive test. UPLC-Q-TOF-MS was used to obtain mass spectrum data for all samples, and a UNIFI platform was used for identification. A multivariate statistical method was used to screen the different compounds with positive correlations. The antimalarial activity of different components from the ether extract and alkali treatments was determined and antimalarial components other than artemisinin were obtained. A total of 24 flavonoids, 68 sesquiterpenoids and 21 other compounds were identified. Compounds associated with differential antimalarial activity were identified. The material basis for the antimalarial activity ofA. annuawas clarified. The antimalarial components ofA. annuainclude two categories: first, artemisinin and non-artemisinin antimalarial active components, of which the non-artemisinin antimalarial active components may include 5α-hydroperoxy-eudesma-4(15),11-diene; second, several antimalarial synergistic ingredients inA. annua, including arteanniun B, arteanniun B analogues and polymethoxy flavonoids.Keywords:Artemisia annuaL.;synergistic effect;antimalarial;UPLC-Q-TOF-MS;OPLS-DA
研究领域:
药理学
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代谢组学
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药物化学
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植物科学
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DOI
PubMed
高影响因子
CHEMISTRY AND PHYSICS OF LIPIDS
·
2019
·
IF 2.536
Yuan Gao,Shimin Wu,Renhuai Cong,Junyong Xiao,Fangli Ma
Schisandra chinensis is a medicinal and edible plant that contains various bioactive compounds. Among these, lignans are the major functional compounds. Nevertheless, detailed information about lignans in Schisandra chinensis oil remains scarce. A powerful UPLC-Q/TOF-MS method was established for the rapid identification of the lignan constituents of Schisandra chinensis oils. The results showed that 21 lignans have been unambiguously identified, and four lignans have been tentatively identified in the Schisandra chinensis oils. In addition, semi-quantitative analysis indicated that the total lignan content in the Schisandra chinensis oils was distributed from 67.73 ± 0.06 to 87.61 ± 1.83 mg/g. Schisandrin and schisandrin B were the most abundant lignans in the Schisandra chinensis oils, their content ranging from 15.85 ± 0.09 to 20.57 ± 0.38 mg/g. Additionally, this study provided a systematic characterization of lignans in Schisandra chinensis oil and indicated that the oil might be used as lignan-related functional foods.
研究领域:
植物化学
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分析化学
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药理学
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产品关联
DOI
PubMed
高影响因子
FUEL
·
2022
·
IF 8.035
Wei Feng,Mo Zheng,Lijun Jin,Jin Bai,Lingxue Kong,Huaizhu Li,Zongqing Bai,Wen Li
Co-pyrolysis of waste plastics and low-rank coal is a promising approach to deal with the serious waste crisis and improve the clean utilization of low-rank coal. In this work, the comprehensive co-pyrolysis behaviors of low-rank coal and polyethylene plastics were explored systematically by combining TG experiment, in-situ Py-TOF-MS technique, and ReaxFF MD simulation. The consistent results were obtained among three approaches to demonstrate the positive interaction exists between coal and PE during the co-pyrolysis process, which leads to volatile yield increasing with PE addition. TG experimental results showed that the blending ratio of 7:3 for coal and PE has the strongest synergy during the co-pyrolysis process, while Py-TOF-MS experimental results unraveled that the synergistic effect of coal and PE was determined by changing the content of pyrolysis products rather than by producing cross-reaction products. The PE addition significantly reduced the yield of MAHs and normal alkyl-substituted monophenols and increased the yield of olefins, alkanes, and aromatic derivatives. ReaxFF MD simulation results complement the experimental observation to obtain similar weight loss profiles with TG experiments and consistent identification of major representative tar pyrolyzates with Py-TOF-MS experiments. Particularly, the detailed gas evolving trends and the underlying bond-breaking reactions of C C, C O, and C H bonds were revealed by ReaxFF MD, which indicates PE addition promotes bond breaking of C C and C H to enhance more tar generation. The combination of experiments and ReaxFF MD simulations can capture the comprehension of the co-pyrolysis process between low-rank coal and PE, which can be extended to other co-pyrolysis applications for related solid fuels.
研究领域:
能源与燃料化学
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材料科学
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环境科学
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产品关联
DOI
高影响因子
JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY
·
2017
·Vol. 55
·期 15
·2537-2543
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IF 2.952
Jiatao Wu,Chunyan Tan,Xinwen Zhou,Ying Tan,Pengyuan Yang,Yuyang Jiang
Molecular weights of seven poly(phenylene ethynylene)-based water-soluble conjugated polyelectrolytes (CPEs) obtained through Sonogashira coupling are determined by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS). A standard sample preparation protocol is developed to characterize the seven CPEs using 2,5-dihydroxybenzoic acid as the matrix (M) and AgTFA as the cationization reagent (CR). High-quality MALDI mass spectra are obtained at volume mixing ratios (CPE/M/CR) of 5/5/1 for anionic polymers (P1–P4) and 5/50/1 for cationic polymers (P5–P7). Molecular weight, molecular weight distribution, and end-group information are analyzed. The effects of molecular weight of CPEs on optical and quenching properties are also studied. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55 , 2537–2543
研究领域:
材料科学
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化学
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产品关联
DOI
高影响因子
PLoS One
·
2015
·Vol. 10
·期 3
·e0120480
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IF 3.234
Qiang Lv,Fenglei Luo,Xiaoyong Zhao,Yu Liu,Guibing Hu,Chongde Sun,Xian Li,Kunsong Chen
Content of total proanthocyanidins as well as total phenolics, flavonoids, antioxidant activities were evaluated for litchi ( Litchi chinensis Sonn.) pulp of 32 cultivars. One cultivar, Hemaoli, showed the highest total proanthocyanidins and total phenolics, and DPPH or ABTS radical scavenging activities. ESI-MS and NMR analysis of the Hemaoli pulp crude extracts (HPCE) showed that procyandins composed of ( epi )catechin unites with degree of polymerization (DP) of 2–6 were dominant proanthocyanidins in HPCE. After the HPCE was fractionated by a Sephadex LH-20 column, 32 procyanidins were identified by LC-ESI-Q-TOF-MS in litchi pulp for the first time. Quantification of individual procyanidin in HPCE indicated that epicatechin, procyanidin B2, procyanidin C1 and A-type procyanidin trimer were the main procyanidins. The radical scavenging activities of different fractions of HPCE as well as six procyanidins standards were evaluated by both DPPH and ABTS assays. HPCE fractions showed similar antioxidant activities with those of Vc and six individual procyanidins, the IC 50 of which ranged from 1.88 ± 0.01 to 2.82 ± 0.10 μg/ml for DPPH assay, and from 1.52 ± 0.17 to 2.71 ± 0.15 μg/ml for ABTS assay. Such results indicate that litchi cultivars rich in proanthocyanidins are good resources of dietary antioxidants and have the potential to contribute to human health.
研究领域:
食品科学
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植物化学
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营养学
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产品关联
DOI
PubMed
高影响因子
CHINESE CHEMICAL LETTERS
·
2018
·
IF 2.631
Zengnan Wu,Ning Xu,Weiwei Li,Jin-Ming Lin
The performance of matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) is frequently compromised by the high limited of detection, heterogeneous distribution of matrix and analyte deposits and time-consuming drying time during the conventional drop drying procedure. Here, we describe a method based on membrane separation technology to assist in the drying of nanomaterials to rapidly make homogeneous sample spots and to enhance the mass signal. We demonstrate that the sample can be dried evenly in a few seconds and MS signal can be greatly optimized by using membrane separation technology. Enrichment with nanomaterials greatly enhances analyte signal strength while membrane separation method avoids the time-consuming requirements of searching for “sweet spots”.
研究领域:
分析化学
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质谱技术
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纳米技术
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产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Huijuan Gao,Qian Wang,Qiangli Qi,Wenjing He,Wen Li
Hops , extensively cultivated in China for their food and medicinal applications, currently lack well-defined chemical markers to evaluate variations in their quality. The study aimed to explore variations in the quality of Chinese hops by the chemical characteristics of hops, employing UPLC-Q-TOF/MS, integrated with chemical fingerprinting and chemometrics. The results indicated that Chinese hops are abundant in polyphenols and bitter acids. The integration of UPLC-Q-TOF/MS, Chemical fingerprinting, and chemometrics revealed to be an accurate and effective approach for assessing the quality of Chinese hops. In this study, ten important chemical markers were found to be useful in differentiating various hop varieties. Moreover, the support vector machine showed a prediction accuracy of 92.3077% in identifying Chinese hop varieties. The strategy of the study lays the groundwork for classifying Chinese hop varieties and serves as a prerequisite for future quality control studies, particularly focusing on chemical compositions.
研究领域:
植物化学
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分析化学
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药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Chemistry
·
2021
·
IF 2.506
Xinxin Chen,Junmao Li,Renyikun Yuan,Youqiong Zhuo,Yangling Chen,Chenwei Zhang,Ming Chen,Hong-Wei Gao,Zhenjie Liu,Yulin Feng,Zheng-Tao Wang,Shilin Yang
Ilicis Rotundae Cortex (IRC) consists of the bark of Ilex rotunda Thunb, and its chemical constituents mainly include flavonoid glycosides, phenols, and triterpenoid saponins. In this study, a preliminary analysis was performed to identify and obtain the chemical components from IRC to better control the quality of the medicinal materials and provide a chemical basis for the study of the efficacy of the active components. Simple and efficient sample pretreatment and ultrasonic-assisted extraction methods were used to analyze the mass spectrum fragments and fracture modes in the anion mode by UPLC-Q-TOF-MS/MS. Using a two-step strategy, the neutral loss, diagnostic ions, and characteristic fragments were studied to screen diverse skeletons and substitutions, and the possible compounds were identified by comparison with databases. The representative compounds were compared with the standard, and the mass spectrogram was found to match perfectly. Thus, our findings reveal that this method is feasible and reliable and can be used to analyze the chemical components of IRC. We identified 105 compounds, including 22 triterpenoid saponins, 15 chlorogenic acids, 33 phenylpropanoids and phenylpropanosides, 3 iridoids, 1 flavonoid, 10 lignans, 12 glycosides, and 9 other compounds. This method lays the foundation for further elucidating the pharmacodynamics of IRC and provides a practical method for the identification of IRC.
研究领域:
中药学
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分析化学
✓ 已验证
产品关联
DOI
高影响因子
MOLECULES
·
2018
·Vol. 23
·期 7
·1650
·
IF 3.098
Jing Tan,Cuizhu Wang,Hailin Zhu,Baisong Zhou,Lingxin Xiong,Fang Wang,Pingya Li,Jinping Liu
Blood stasis syndrome (BSS) is one of the most common Chinese medicine patterns in coronary heart disease. Our previous work proved that Xueshuan Xinmaining Tablet (XXT) could treat blood stasis through regulating the expression of F13a1, Car1 and Tbxa2r. In the current study, the effect and mechanism of XXT on BSS was comprehensively and holistically investigated based on a metabolomics approach. Urine and plasma samples of 10 BBS rats treated with XXT (XT), 9 BSS model rats (BM) and 11 normal control (NC) rats were collected and then determined by UPLC-Q/TOP-MS. Multivariate analyses were applied to distinguish differentiate urinary and plasma metabolite patterns between three groups. Results showed that a clear separation of three groups was achieved. XT group was located between BM group and NC group, and showing a tendency of recovering to NC group, which was consistent with the results of hemorheological studies. Some significantly changed metabolites like cortexolone, 3α,21-dihydroxy-5β-pregnane-11,20-dione and 19S-hete and leukotriene A4, chiefly involved in steroid hormone biosynthesis, arachidonic acid metabolism and lipid metabolism, were found and identified to explain the mechanism. These potential markers and their corresponding pathways will help explain the mechanism of BSS and XXT treatment. This work also proves that metabolomics is effective in traditional Chinese medicinal research.Keywords:blood stasis syndrome;Xueshuan Xinmaining tablet;UPLC-Q/TOF-MS;rats;metabolomics
研究领域:
中医药学
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代谢组学
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生物化学
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产品关联
DOI
PubMed
高影响因子
ANALYST
·
2023
·Vol. 148
·期 22
·5650-5657
·
IF 4.2
Wenjing Gao,Ying Han,Liangqiang Chen,Xue Tan,Jieyou Liu,Jinghang Xie,Bin Li,Huilin Zhao,Shaoning Yu,Huabin Tu,Bin Feng,Fan Yang
Microbes are usually present as a specific microbiota, and their classification remains a challenge. MALDI-TOF MS is particularly successful in library-based microbial identification at the species level as it analyzes the molecular weight of peptides and ribosomal proteins. FT-IR allows more accurate classification of bacteria at the subspecies level due to the high sensitivity, specificity and repeatability of FT-IR signals from bacteria, which is not achievable with MALDI-TOF MS. Previous studies have shown that more accurate identification results can be obtained by the fusion of FT-IR and MALDI-TOF MS spectral data. Here, we constructed 20 groups of model microbiota samples and used FT-IR, MALDI-TOF MS, and their fusion data to classify them. Hierarchical clustering analysis (HCA) showed that the classification accuracy of FT-IR, MALDI-TOF MS, and the fusion data was 85%, 90%, and 100%, respectively. These results indicate that both FT-IR and MALDI-TOF MS can effectively classify specific microbiota, and the fusion of their spectral data could improve the classification accuracy. The FT-IR and MALDI-TOF MS data fusion strategy may be a promising technology for specific microbiota classification.
研究领域:
微生物学
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光谱学
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生物信息学
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DOI
PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2011
·
IF 5.874
Hongqiang Qin,Liang Zhao,Ruibin Li,Ren’an Wu,Hanfa Zou
Many diseases are characterized by the changes of either glycan structure or glycosylation site of glycoproteins. The glycan profiling can provide the overview of glycosylation in despite of the absence of the glycosylation sites, which in turn simplifies the complexity of disease diagnosis. Herein, we describe a simple method to profile the N-linked glycans by MALDI-TOF MS with the enrichment using oxidized ordered mesoporous carbon, taking advantages of the size-exclusive effect of mesopore against proteins as well as the interaction between glycans and carbon. Twenty four N-linked glycans derived from ovalbumin could be efficiently detected with high signal-to-noise (S/N) ratios and sufficient peak intensities. In the analysis of complex serum samples, 32 N-linked glycans could be profiled, and 5 (4 core-fucosylated glycans) of them were distinguished from liver cancer and healthy samples.
研究领域:
分析化学
·
生物医学
·
蛋白质组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2017
·Vol. 22
·期 11
·1927
·
IF 2.861
Yanni Cao,Shengzuo Fang,Zhiqi Yin,Xiangxiang Fu,Xulan Shang,Wanxia Yang,Huimin Yang
Cyclocarya paliurusis an edible and medicinal plant containing various bioactive components with significant health benefits. A combinative method using high-performance liquid chromatography (HPLC) fingerprint and quantitative analysis was developed and successfully applied for characterization and quality evaluation ofC. paliurusleaves collected from 18 geographical locations of China. For the fingerprint analysis, 21 common peaks were observed among the 18 samples, and these peaks were identified by high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC–Q–TOF–MS), while a simultaneous quantification of 16 markers was conducted to interpret the variations of contents of these bioactive compounds among theC. paliurusleaves from different geographical locations. Quantification results showed that the contents of these sixteen investigated compounds varied greatly among the leaves from different locations. The developed new method would be a valuable reference for further study and development of this bioactive plant.Keywords:Cyclocarya paliurus;fingerprint;HPLC–Q–TOF–MS;quantitative analysis;quality evaluation
研究领域:
生药学
·
分析化学
·
植物科学
✓ 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）