ENVIRONMENTAL POLLUTION
·
2017
·
IF 5.099
Sisheng Wu,Cuiyuan Jin,Yueyi Wang,Zhengwei Fu,Yuanxiang Jin
Propamocarb (PM) is a widely used fungicide with property of affecting fatty acid and phospholipid biosynthesis in funguses. In this study, we explored its effects on mice gut microbiota and metabolism by exposing mice to 3, 30, and 300 mg/L PM through drinking water for a duration of 28 days. We observed that the transcription of hepatic genes related to regulate lipid metabolism were perturbed by PM exposure. The microbiota in the cecal contents and feces changed during or after PM exposure at phylum or genus levels. 16S rRNA gene sequencing for the cecal content revealed shifted in overall microbial structure after PM exposure, and operational taxonomic unit (OTU) analysis indicated that 32.2% of OTUs changed by 300 mg/mL PM exposure for 28 days. In addition, based on 1 H NMR analysis,a total of 20 fecal metabolites mainly including succinate, short chain fatty acids, bile acids and trimethylamine were found to be significantly influenced by exposure to 300 mg/L PM.,. These metabolites were tightly correlated to host metabolism. Our findings indicated that high doses of PM exposure could disturb mice metabolism through, or partly through, altering the gut microbiota and microbial metabolites.
研究领域:
毒理学
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微生物学
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代谢组学
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DOI
PubMed
高影响因子
APPLIED CATALYSIS A-GENERAL
·
2022
·
IF 5.723
Yi-Tian Wang,Si-Ming Wu,Guo-Qiang Luo,Ge Tian,Bo-Jun Zeng,Li-Ying Wang,Shi-Tian Xiao,Jing-Xian Wu,Ao Wu,Kang-Jun Wu,Silvia Lenaerts,Xiao-Yu Yang
Dual active sites from acidic zeolite and Pd are not only capable of catalyzing multiple type of reactions, but could also generate unique functions owing to the synergy between metals and acidic sites. However, there are only a few reports on the investigation of the synergy of acid/Pd dual sites in TS-1. Herein, TS-1 confined Pd catalyst with mesoporous silica shell (Pd@TS-1 @meso-SiO 2 ) has been successfully synthesized and its synergy effect contributes to the enhanced conversion rate (19.2%) and selectivity (74.7%) on styrene oxidation . The interaction between Pd and TS-1 has been investigated by EPR and 1 H NMR techniques, the experimental measurements show an obvious change in the signal distribution of weakly acidic terminal hydroxyls and hydrogen-bonding silanols. The schematic illustration of selective styrene oxidation in the model of Pd@TS-1 @meso-SiO 2 is proposed to clarify the synergistic effect on styrene oxidation between TS-1 and Pd nanoparticles at an atomic-/nanoscale.
研究领域:
催化化学
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材料科学
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DOI
高影响因子
Revista Brasileira de Farmacognosia-Brazilian Journal of Pharmacognosy
·
2022
·Vol. 32
·期 5
·812-818
·
IF 2.464
Zhou Meichen,Yin Shining,Yu Mingming,Wu Aiying,Wang Cong,Lu Jingguang
“Fufang huangliansu” prescription, as a Chinese patent herbal medicine, is widely applied in clinical practice, and its main physiologically active components are berberine hydrochloride and total glucosides of paeony. In this study, a rapid, simple, and accurate quantitative 1 H NMR method was developed and validated to determine the two main components of “fufang huangliansu” prescription, berberine hydrochloride and total glucosides of paeony. Dimethyl terephthalate was selected as an internal standard, and the signals for berberine hydrochloride at δ 8.94 ppm (H-13) and total glucosides of paeony at δ 7.55 ppm (H-3″, 5″) were selected for the construction of calibration curves. Method validation was performed in terms of specificity, precision, accuracy, repeatability, stability, and linearity. The results indicated that the assay was precise and in line with the China Food and Drug Administration guidance. The assay has been successfully applied to determine the content of berberine hydrochloride and total glucosides of paeony in “fufang huangliansu” obtained from two pharmaceutical companies. This finding indicates that this 1 H NMR method has the potential as a reliable method for quality control of Chinese patent medicines containing berberine. Graphical abstract
研究领域:
药学
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分析化学
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中医药
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DOI
高影响因子
JOURNAL OF PHARMACY AND PHARMACOLOGY
·
2024
·
IF 2.8
Lou Yutao,Zou Xiaozhou,Pan Zongfu,Huang Zhongjie,Zheng Shuilian,Zheng Xiaowei,Yang Xiuli,Bao Meihua,Zhang Yuan,Gu Jinping,Zhang Yiwen
ObjectivesThis study aimed to reveal the anti-fibrotic effects of Botrychium ternatum (Thunb.) Sw. (BT) against idiopathic pulmonary fibrosis (IPF) and to preliminarily analyze its potential mechanism on bleomycin-induced IPF rats.MethodsThe inhibition of fibrosis progression in vivo was assessed by histopathology combined with biochemical indicators. In addition, the metabolic regulatory mechanism was investigated using 1H-nuclear magnetic resonance-based metabolomics combined with multivariate statistical analysis.Key findingsFirstly, biochemical analysis revealed that BT notably suppressed the expression of hydroxyproline and transforming growth factor-β1 in the pulmonary tissue. Secondly, Masson’s trichrome staining and hematoxylin and eosin showed that BT substantially improved the structure of the damaged lung and significantly inhibited the proliferation of collagen fibers and the deposition of extracellular matrix. Finally, serum metabolomic analysis suggested that BT may exert anti-fibrotic effects by synergistically regulating tyrosine metabolism; phenylalanine, tyrosine and tryptophan biosynthesis; and synthesis and degradation of ketone bodies.ConclusionsOur study not only clarifies the potential anti-fibrotic mechanism of BT against IPF at the metabolic level but also provides a theoretical basis for developing BT as an effective anti-fibrotic agent.
研究领域:
药理学
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代谢组学
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呼吸病学
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DOI
PubMed
高影响因子
Polymer Chemistry
·
2022
·Vol. 13
·期 8
·1098-1106
·
IF 5.364
Junjin Duan,Yi Gong,Dong Chen,Yuhong Ma,Changtong Song,Wantai Yang
In this study, we develop a direct, thermally initiated radical homopolymerization of vinyl ethers mediated by lithium salts CH3OLi and LiI. In the case of vinyl ether monomers having a hydroxyl group, for example, diethyleneglycol monovinyl ether (DEGV), a high molecular weight poly(DEGV) (Mn = 18 700) is produced in a high yield (≥68%) with negligible acetal formation. Most importantly, this method further enables the radical polymerization of alkyl vinyl ether (IBVE) which has no hydroxyl group to form hydrogen bonds to facilitate the radical polymerization. There are no evident structural defects caused by side reactions such as β-scission and hydrogen abstraction as the poly(IBVE) yield is up to about 50% and Mn = 8500. Under similar conditions, the poly(IBVE) yield of the control run is only 16.2%. Density functional theory calculations suggest that the interaction between Li+ and CC–O of IBVE significantly reduces the HOMO–LUMO energy gap from 6.83 eV to 4.61 eV. In addition, the changes in 1H-NMR chemical shifts of CH2CH–O– further support the existence of interaction between Li+ and CC–O. This cation-π complexation between Li+ and vinyl ether can effectively reduce the electron density of the vinyl group and as a result increases the stability of σ-radicals and suppresses unfavorable side reactions.
研究领域:
高分子化学
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材料科学
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物理化学
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DOI
高影响因子
CARBOHYDRATE POLYMERS
·
2023
·
IF 11.2
Fuyue Dong,Wei Gao,Pengfei Liu,Xuemin Kang,Bin Yu,Bo Cui
In this study, microcrystalline butyrylated pea starch (MBPS) with higher contents of resistant starch (RS) was synthesized via esterification with butyric anhydride (BA) using microcrystalline pea starch (MPS) as the raw material. With the addition of BA, the new characteristic peaks appeared at 1739 cm −1 and 0.85 ppm obtained from FTIR and 1 H NMR, respectively, and increased with the higher degree of BA substitution. Moreover, an irregular shape of MBPS, such as condensed particles and more cracks or fragments, had been observed by SEM. Further, the relative crystallinity of MPS increased then native pea starch and decreased with the reaction of esterification. MBPS had higher decomposition onset temperature (T o ) and temperature of maximum decomposition (T max ) with increasing DS values. Simultaneously, an increasing trend RS content from 63.04 % to 94.11 % and a decreasing trends in rapidly digestible starch (RDS) and slowly digestible starch (SDS) contents of MBPS were recorded with increasing DS values. MBPS samples showed higher production capacity of butyric acid ranging from 553.82 μmol/L to 892.64 μmol/L during the fermentation process . Compared with MPS, the functional properties of MBPS were significantly improved.
研究领域:
食品科学
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化学
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营养学
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DOI
PubMed
高影响因子
JOURNAL OF ANALYTICAL CHEMISTRY
·
2024
·Vol. 79
·期 2
·233-240
·
IF 1
Wai Phyu Thin,Jiang Pingping,Lu Minjia,Cui Zhixuan,Feng Shan,Zhang Pingbo
High-resolution 1 H nuclear magnetic resonance ( 1 H NMR ) was advanced to determine both epoxy value and iodine value ( IV ) of vegetable oils that occur during their epoxidation. For calibration, rather than using a series of diluted stock samples, epoxidized soybean oils with a range of IV and epoxy value synthesized using entrapped peroxophosphotungstate as the catalyst under different reaction conditions were used. During the epoxidation reaction, IV and epoxy value were tracked with respect to time using 1 H NMR and conventional volumetric methods. The integrated peak area of the olefinic hydrogens (5.3–5.5 ppm) was used to calculate the absolute number of double-bonded protons. By comparison of IV obtained by 1 H NMR and the traditional Wijs-cyclohexane methods, the correlation coefficient was R 2 = 0.9997 for the regression equation y = 1.1314 x + 1.0035, where x was the result given by 1 H NMR. The average integrated peak areas related to the hydrogens of the epoxide groups located at chemical shifts of 2.9 ppm (monoepoxide) and 3.1 ppm (diepoxide) were used to determine the epoxy value. The quantification of the number of epoxides was carried out by 1 H NMR and the values obtained were correlated with epoxide content determined by the hydrochloric acid/acetone method. As a consequence, the correlation coefficient was R 2 = 0.9991 for the regression equation y = 0.0052 x + 1.7258, where x was the average integrated peak areas related to the hydrogens of the epoxide groups by 1 H NMR. The novelty of our study lies in the simultaneous correlation between IV and epoxy value obtained from conventional titrations, the integrated peak area related to olefinic protons, and the average integrated peak area located at the hydrogen of epoxide group, calculated using 1 H NMR. This approach is used to monitor and optimize the epoxidation reaction.
研究领域:
分析化学
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高分子科学
·
有机化学
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光谱学
·
化学反应工程
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DOI
高影响因子
Materials Today Chemistry
·
2026
·
IF 7.4
Mengnan Yin,Huang Zhang,Di Zhang,Lin Shi,Fangfang Li,Baoshan Xing
During the self-assembly of graphene oxide (GO) into three-dimensional graphene-based materials (3D GMs), close-cell structures are formed. However, the specific effects of these structures on the adsorption of 3D GMs remain unclear. To address this, we synthesized a series of 3D GMs with varying proportion of close-cell structures to systematically investigate their impact on Bisphenol A (BPA) adsorption. Prolonged ultrasonic treatment for GO suspension reduced GO sheet size and increased the abundance of close-cell structures in 3D GMs. Raman spectroscopy, isotope tracing, thermogravimetric analysis, and 1 H NMR measurements revealed that freeze-thawing converts confined water into free water, suggesting the destruction of close-cell structures. The freeze-thawing treatment enhanced the BPA adsorption capacity of graphene hydrogel (GH), and this enhancement was more pronounced with the decreased size of GO nanosheets. This result demonstrated that GH samples with a higher abundance of close-cell structures generated more newly exposed adsorption sites for BPA during freeze-thawing. Furthermore, adsorption experiments in real environmental water (Dianchi Lake) demonstrated that although the BPA adsorption on freeze-thawing graphene hydrogel (FGH-60 m) decreased by 43% compared to in pure water, it still exhibited higher BPA adsorption than that of GH-60 m in lake water. This indicates that the close-cell structures retain significant potential for pollutants adsorption in practical environmental applications.
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DOI
高影响因子
CARBOHYDRATE POLYMERS
·
2021
·
IF 9.381
Pengbo Wang,Xingshuang Lv,Bingqian Zhang,Tengbin Wang,Chenbo Wang,Jiaxi Sun,Kun Zhang,Ya’nan Wu,Jian Zhao,Yongqin Zhang
Under the assistance of 13 C NMR and 1 H- 13 C HSQC, we develop a novel 1 H NMR assay for the substitution sites and degrees in hydroxypropyl chitosan (HPCS) by optimizing sample preparation and measurement method. We find that the chemical shift of HOD peak increases linearly with the increase of DCl concentration but declines with the rise of measurement temperature. According to the regression line, the HOD peak could be moved to a desired position of non-interference with other peaks by changing DCl concentration. Other DCl-responsive peaks are found and elucidated. Accordingly, the substitution fraction (NH 2 -substitution and OH-substitution) and the degree of acetylation are well discriminated and determined. The total molar degree of substitution (MS) obtained is basically consistent with those of elemental analysis and the existing NMR methods. This structural analysis is extendable to other amino-containing saccharides. The 1 H NMR method could be used widely in acid-soluble polysaccharides and their derivatives.
研究领域:
生物化学
·
分析化学
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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
·
2020
·
IF 3.004
Youzhen Tan,Biying Chen,Cui Ren,Mingxin Guo,Juanxia Wang,Kexing Shi,Xia Wu,Yifan Feng
Sandalwood is one of the most valuable woods in the world. However, today's counterfeits are widespread, it is difficult to distinguish authenticity. In this paper, similar genus ( Dalbergia and Pterocarpus ) and confused species ( Gluta sp .) of sandalwood were quickly and efficiently identified. Rapid identification model based on 1 H NMR and decision tree (DT) algorithm was firstly developed for the identification of sandalwood, and the accuracy was improved by introducing the AdaBoost algorithm. The accuracy of the final model was above 95%. And the feature components between different species of sandalwood were further explored using UHPLC-QTOFMS and NMR spectrometry. The results showed that 183 compounds were identified, among which 99 were known components, 84 were unknown components. The 1 H NMR and 13 C NMR signals of 505 samples were assigned, among them, 14 compounds were attributed, characteristic chemical shift intervals with great differences in the model were analysed. Furthermore, the fragmentation pattern of different compounds from sandalwood, in both positive and negative ion ESI modes, was summarized. The results showed a potential and rapid tool based on DT, NMR spectroscopy and UHPLC-QTOFMS, which had performed great potential for rapid identification and feature analysis of sandalwood.
研究领域:
植物学
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分析化学
·
药用植物研究
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产品关联
DOI
PubMed
高影响因子
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
·
2023
·
IF 5.8
Meng Hui-Hui,Liu Wen-Ya,Zhao Wen-Long,Zheng Qi,Wang Jun-Song
Trichlorfon, one of the most widely used organophosphate insecticides, is commonly employed in aquaculture and agriculture to combat parasitic infestations. However, its inherent instability leads to rapid decomposition into dichlorvos (DDVP), increasing its toxicity by eightfold. Therefore, the environmental effects of trichlorfon in real-world scenarios involve the combined effects of trichlorfon and its degradation product, DDVP. In this study, we systematically investigated the degradation of trichlorfon in tap water over time using HPLC and LC–MS/MS analysis. Subsequently, an experiment was conducted to assess the acute toxicity of trichlorfon and DDVP on goldfish ( Carassius auratus ), employing a 1 H NMR-based metabolic approach in conjunction with serum biochemistry, histopathological inspection, and correlation network analysis. Exposure to trichlorfon and its degradation product DDVP leads to increased lipid peroxidation, reduced antioxidant activity, and severe hepatotoxicity and nephrotoxicity in goldfish. Based on the observed pathological changes and metabolite alterations, short-term exposure to trichlorfon significantly affected the liver and kidney functions of goldfish, while exerting minimal influence on the brain, potentially due to the presence of the blood–brain barrier. The changes in the metabolic profile indicated that trichlorfon and DDVP influenced several pathways, including oxidative stress, protein synthesis, energy metabolism, and nucleic acid metabolism. This study demonstrated the applicability and potential of 1 H NMR-based metabonomics in pesticide environmental risk assessment, providing a feasible method for the comprehensive study of pesticide toxicity in water environments. Graphical abstract
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DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
·
2026
·
IF 5.2
Mengjiao Wang,Haoyu Li,Lu Bai,Quan Guo,Jiayuan Wu,Chi-Tang Ho,Naisheng Bai,Sen Guo
The rapid and targeted identification of bioactive constituents from complex natural product matrices remains a significant challenge in natural product research. This study employs an integrated biochemometrics workflow combining 1 H Nuclear Magnetic Resonance ( 1 H NMR) and mass spectrometry (MS) to efficiently pinpoint antioxidant components from Aganosma cymosa . Systematic separation of the crude extract yielded 37 microfractions (MFs), which were subjected to both antioxidant activity evaluation and UHPLC-MS/MS profiling. An active molecular network was constructed by calculating Spearman rank correlation coefficients between MS feature abundances and the corresponding antioxidant activity data, enabling visualization of activity-correlated features within the GNPS platform. To address the limitation of MS-based annotation in distinguishing structural isomers, feature-based GNPS analysis was integrated with 1 H NMR heterospectral covariance analysis (HetCA). The HetCA pseudo-spectra provided orthogonal validation and precise spectroscopic targets for subsequent isolation. Through this combined strategy, the main antioxidant constituents were successfully predicted, isolated, and structurally verified by NMR data. In conclusion, this study demonstrates that the synergistic integration of Spearman rank correlation-based active molecular networking, a multi-level prioritization strategy, and 1 H NMR HetCA orthogonal validation provides a powerful paradigm for the precise identification of bioactive components in complex plant matrices.
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DOI
高影响因子
危险品化学品经营许可证（带存储）