JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2022
·
IF 5.895
Ziyan Wang,Heping Cui,Mengyu Ma,Khizar Hayat,Xiaoming Zhang,Chi-Tang Ho
The effect of ellagic acid on the formation of pyrazine, methylpyrazine, 2,3-methylpyrazine, 2,6-methylpyrazine, 2,5-methylpyrazine, and trimethylpyrazine in the xylose–glycine Maillard reaction model was researched. Ellagic acid could either inhibit or promote pyrazine formation, depending on its addition time point and the pH of the system. The addition of ellagic acid during the accumulation period of an Amadori compound inhibited pyrazine formation by capturing the Amadori compound in the xylose–glycine Maillard system and decreasing the pyrazine precursors. The inhibitory effect of ellagic acid on pyrazine formation got more obvious with an increase in the pH of the system. However, when ellagic acid was added at the beginning of the xylose and glycine Maillard system and when the oxidizing substances such as glyoxal and methylglyoxal were significantly formed in the Maillard system, its oxidation could promote the formation of pyrazines.
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Molecular Catalysis
·
2023
·
IF 4.6
Linghui Kong,Bo Fan,Yu-Cai He
( S )-2-Chloro-1-(3,4-difluorophenyl)-ethanol [( S )-CFPL] is a key chiral intermediate in the manufacture of Ticagrelor. In this study, deep eutectic solvent (DES) was used as the co-solvent, and several reaction parameters were investigated and characterized. It was observed that supplementary of DES could promote the asymmetric reduction of 2‑chloro-1-(3,4-difluorophenyl) ethanone (CFPO) to ( S )-CFPL through the biological reduction by recombinant E. coli containing a NADH-dependent reductase CmCR. The high pKa value of carboxylic acid in DES and low viscosity of DES were beneficial to increase cell membrane permeability and enhancement of biocatalytic efficiency. By supplementary of DES ChCl:LA (7.5 vol%) into the bioreaction system, the efficient bioreduction reaction of 100 mM CFPO was achieved via the biocatalysis with whole-cell at 30 °C and pH 7.0, affording ( S )-CFPL in 95.9 % yield and optical purity > 99 %. The process was environmentally friendly with high biocatalytic productivity and had potential practicability in the mass production of ( S )-CFPL.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Xiaomin Qiu,Bingjie Huo,Qi Wang,Jingwei Yang,Zhaoyou Zhu,Yinglong Wang,Jun Gao
In this work, the effects of N-methyl pyrrolidone, N,N-dimethylformamide, cyclohexanol, butyl butyrate, and N-formylmorpholine on the separation efficiency of a p-xylene and 1-pentanol azeotropic system are investigated, and the best solvent is selected from these solvents. The vapor–liquid equilibrium data of binary systems of 1-pentanol + butyl butyrate, 1-pentanol + N-formylmorpholine, and p-xylene + butyl butyrate are measured using a modified Rose-type circulating still under 101.3 kPa. In order to check the thermodynamic consistency of the experimental vapor–liquid equilibrium data, the Herington and Van Ness methods are used. In addition, the nonrandom two-liquid, universal quasichemical, and Wilson models are used to correlate the experimental data of binary systems, and the interaction parameters of binary systems are obtained.
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Green Energy & Environment
·
2020
·
IF 6.395
Zhaoning Song,Juncong Yuan,Zhenping Cai,Dong Lin,Xiang Feng,Nan Sheng,Yibin Liu,Xiaobo Chen,Xin Jin,De Chen,Chaohe Yang
The advocacy of green chemical industry has led to the development of highly efficient catalysts for direct gas-phase propene epoxidation with green, sustainable and simple essence. The S-1/TS-1@dendritic-SiO 2 material with three-layer core–shell structure was developed and used as the support for Au catalysts, which showed simultaneously fantastic PO formation rate, PO selectivity and stability (over 100 h) for propene epoxidation with H 2 and O 2 . It is found that silicalite-1 (S-1) core and the middle thin layer of TS-1 offer great mass transfer ability, which could be responsible for the excellent stability. The designed dendritic SiO 2 shell covers part of the acid sites on the external surface of TS-1, inhibiting the side reactions and improving the PO selectivity. Furthermore, three kinds of SiO 2 shell morphologies (i.e., dendritic, net, mesoporous shell) were designed, and relationship between shell morphology and catalytic performance was elucidated. The results in this paper harbour tremendous guiding significance for the design of highly efficient epoxidation catalysts.
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JOURNAL OF MOLECULAR STRUCTURE
·
2021
·
IF 3.196
Meng Ding,Lei Xu,Yumeng Zhang,Wei Li,Yuqing Zhao
20( R )-25-methoxyl-dammarane-3 β ,12 β ,20-triol (CN Patent: 201,010,107,476.7, AD-1) is a promising antitumor compound, was isolated from total hydrolyzed saponins extracted from Panax notoginseng leaves. A sensitive and rapid method for the simultaneous detection of AD-1 and its 8 major metabolites in rat feces was developed in this study. AD-1 (20 mg/kg) was orally administered to male rats by gastric intubation. Then, the feces samples were collected. After addition of internal standard (Mifepristone), feces samples were pretreated by protein precipitation followed by liquid-liquid extraction. Chromatographic separation was performed on an Angela C 18 column with gradient elution using a mobile phase composed of acetonitrile and water (containing 5 mM ammonium acetate) at a flow rate of 0.3 mL/min. The analytes were detected without any interference from the multiple reaction monitoring (MRM) mode using positive electrospray ionization. Calibration curves offered satisfactory linearity ( r > 0.995) within the determined ranges. Both intra-day and inter-day variances were lower than 15%, and the accuracy was within 85–115%. The fecal excretion recoveries of AD-1 (M0), metabolite 1 (M1), M2, M3, M4, M5, M6, M7 and M8 were 41.36%, 0.62%, 6.20%, 0.50%, 6.99%, 2.07%, 1.86%, 0.41% and 0.29%, respectively. The observed excretion profiles for AD-1 and its metabolites after oral administration are helpful to understand the poor oral bioavailability of AD-1, and will aid further investigations of AD-1 as a pharmacologically active component. Moreover, the in silico ADME (Absorption, Distribution, Metabolism, Excretion) predictions indicated that the metabolites were nontoxic and present passive gastrointestinal absorption. In previous studies, we found that M5, a metabolite of AD-1, has strong cytotoxicity against ovarian cancer cells. Further molecular docking studies showed that the most potent metabolite, M5, effectively binds to poly ADP-ribose polymerase-1 (PARP-1), which may provide novel solutions for treating ovarian cancer.
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CRYSTENGCOMM
·
2014
·Vol. 16
·期 28
·6450-6458
·
IF 3.858
Song Li,Jia-Mei Chen,Tong-Bu Lu
Although polymorphism is a common phenomenon, the polymorphism of co-crystals is not studied extensively as compared to single-component molecules. Herein we report polymorphism in a co-crystal system comprising 5-fluorouracil, and 4-hydroxybenzoic acid with a 1 : 1 stoichiometry. The polymorphs were characterized by single-crystal and powder X-ray diffraction, differential scanning calorimetry and thermogravimetric analysis. Crystal structure analysis revealed different synthons of 5-fluorouracil and 4-hydroxybenzoic acid in two forms. The solvent-drop grinding experiments show a high degree of solvent polarity specificity. The theoretical and experimental methods suggest an enantiotropic relationship between the polymorphs.
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INORGANIC CHEMISTRY
·
2013
·
IF 4.593
Lingyun Dong,Shilie Pan,Ying Wang,Hongwei Yu,Xiaoyu Dong,Shujuan Han,Min Zhang
The structures of two new lead-containing oxyborate bromines, Pb2(O4Pb8)(BO3)3Br3 (1) and Pb2(O8Pb12)(BO3)2Br6 (2), are determined by single-crystal X-ray diffraction for the first time. Both of them crystallize in the space group C2/c of the monoclinic crystal system. Although the two compounds have the same type of fundmental building units (FBUs), the OPb4 anion-centered tetrahedra and BO3 triangles, they exhibit different connection modes. Compound 1 consists of single ∞1[OPb2] chains, while compound 2 possesses ∞1[O2Pb3] ribbons. Interestingly, large Br atoms profoundly influence the conformation of polyions based on the OPb4 anion-centered tetrahedra, resulting in single ∞1[OPb2] chains linked up by finite zweier chains with four OPb4 tetrahedra via the opposite edges in compound 1 and ∞1[O2Pb3] ribbons with sequential condensation of OPb2 chains in compound 2. A detailed description of the effect of large Br atoms on the conformation of polyions is discussed. IR spectroscopy, UV–vis–NIR diffuse reflectance spectroscopy, and thermal analysis are also performed on the reported materials.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2024
·
IF 2
Feihu Li,Yidong Gu,Yanli Sun,Dahaun Liu,Qunsheng Li
In the esterification reaction of n-propanol and acetic acid to produce n-propyl acetate, the presence of a mixture of n-propanol and n-propyl acetate is inevitable. However, the system of n-propanol and n-propyl acetate has an azeotropic point, which makes it impossible for conventional distillation to separate the two substances completely. Therefore, 1-ethyl-3-methylimidazolium acetate ([EMIM][OAC]) and 1-hexyl-3-methylimidazolium acetate ([HMIM][OAC]) were selected as entrainers to conduct the vapor–liquid equilibrium experiment of n-propanol + n-propyl acetate + [EMIM][OAC] and n-propanol + n-propyl acetate + [HMIM][OAC] at atmospheric pressure in this study. The experimental data were regressed by the NRTL model and UNIFAC-Lei model. NRTL model was in better agreement with the experimental data. The results showed that both [EMIM][OAC] and [HMIM][OAC] could separate the n-propanol + n-propyl acetate system, and [EMIM][OAC] showed the enormous separation potential of ionic liquids based on [OAC]− as anions for the azeotropic system.
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Heliyon
·
2024
·Vol. 10
·期 2
·e24339
·
IF 3.4
Suqin Yang,Gang Liu,Xiankun Xia,Dali Gan,Shijian Xiang,Meixian Xiang
α-Mangostin is a natural xanthone derivative isolated from Camellia atrophy (CA), commonly known as Lichuan black tea (LBT). The present study investigated the ameliorating effect and mechanism of α-mangostin on alcoholic gastric ulcers (GU) in rats. In vivo , α-mangostin relieved pathological symptoms. Moreover, α-mangostin regulated the activation of the nuclear factor (erythroid-derived 2)-like 2 (Nrf2)/heme oxygenase 1 (HO-1) and nuclear factor κB (NF-κB)/NLR family pyrin domain containing 3 (NLRP3)/caspase-1 pathways. Reactive oxygen species (ROS), tumor necrosis factor-α (TNF-α), and interleukin-1β (IL-1β) were significantly decreased and IL-10 were increased, the microtubule-associated protein light chain 3 (LC3)-II/LC3-I ratio was increased, p62 protein expression was decreased, and inducible nitric oxide synthase (iNOS) and cyclooxygenase 2 (COX-2) protein expression was down-regulated. The relevant mechanisms were validated using GSE-1 and RAW264.7 cells in an in vitro model. Furthermore, α-mangostin increased Ligilactobacillus and Muribaculum abundance as well as propionic acid and butyric acid contents. Therefore, α-mangostin possesses antioxidant and anti-inflammatory properties, and remodels intestinal flora dysbiosis through mechanisms that may involve regulation of the Nrf2/HO-1 pathway and NF-κB/NLRP3/caspase-1 pathway. It also increases propionic acid and butyric acid contents. This study provides novel evidence regarding the use of α-mangostin for treating GU.
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LWT-FOOD SCIENCE AND TECHNOLOGY
·
2022
·
IF 6.056
Renjie Zhou,Cheng Yang,Ting Xie,Jian Zhang,Chenqiang Wang,Ziqiang Ma,Lianfu Zhang
Amadori compounds (ACs) are the first stable product formed in the initial stage of the Maillard reaction and are widely present in processed foods. In addition to being widely known as the flavor precursors, ACs have attracted attention in recent years because many functions have been revealed, including ACE inhibition. In this work, we synthesized four ACs ( N -(1-Deoxy-D-fructos-1-yl)-glycine (Fru-Gly), N -(1-Deoxy-D-fructos-1-yl)-proline (Fru-Pro), N -(1-Deoxy-D-fructos-1-yl)-serine (Fru-Ser) and N -(1-Deoxy-D-fructos-1-yl)-threonine (Fru-Thr)) and characterized them using UPLC-Q-TOF-MS spectra. The four ACs’ angiotensin-converting enzyme (ACE) inhibitory activities were verified for the first time, the IC 50 value range was 1.447–4.204 mmol/L, the Fru-Gly has the best effect. And all the four ACs showed good digestion stability, the content remained above 70% after 5 h of continuous digestion simulation. In order to reveal the mechanism of ACs inhibiting ACE, we selected Fru-Gly, beacuse of the best inhibitory effect, to carried out enzyme kinetics, circular dichroism spectroscopy, fluorescence spectroscopy, thermodynamics and molecular docking analysis. The results showed that Fru-Gly was a noncompetitive inhibitor, it spontaneously binds to the inactive site of ACE by hydrogen bond and causes the conformation change of ACE to inactivate it. The reaction is easier to proceed at low temperatures.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2017
·
IF 2.323
Huanxin Li,Junwei Zhang,Yonghui Dou,Li Xu,Guoji Liu
Data of liquid–liquid equilibria (LLE) for water + 1,6-hexanediamine + 1-butanol and water + 1,6-hexanediamine + 1-pentanol ternary systems were determined at T = 298.2, 308.2, and 318.2 K under atmospheric pressure. The distribution coefficients and selectivity factors calculated from LLE data were applied to evaluate the feasibility and effectiveness of extracting 1,6-hexanediamine from the aqueous solution. The results showed that the selectivity factors decrease with the amount of 1,6-hexanediamine increasing in the aqueous phase, and the effect of temperature is insignificant in this study. The nonrandom two-liquid and universal quasichemical activity coefficient models were also applied to regress the experimental equilibrium data of the two ternary systems and the root mean square deviation values between the correlated and experimental results were lower than 0.7%. It turned out that these phase equilibrium behaviors can be described by the two models. Meanwhile, the binary model parameters were acquired from the relevant process simulations.
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INTERNATIONAL IMMUNOPHARMACOLOGY
·
2013
·
IF 2.417
Jian Xu,Yan-Yan Jia,Shao-Rui Chen,Jian-Tao Ye,Xian-Zhang Bu,Yun Hu,Yun-Zi Ma,Jin-Lei Guo,Pei-Qing Liu
Flavonoids are a class of compounds that exist in nature with the structure of 2-phenyl-chromone. In Chinese traditional medicine , herbal drugs containing flavonoids are widely used for the treatment of inflammation, cardiovascular disease, tumor and so on. In this study, we investigated the anti-inflammatory effect and related mechanisms of a novel synthetic flavonoid, (E)-1-(4-ethoxyphenyl)-3-(4-nitrophenyl)-prop-2-en-1-one (ETH) in lipopolysaccharide (LPS) stimulated macrophages. Our results showed that ETH inhibited LPS-induced TNF-α and IL-6 release in a dose-dependent manner, and decreased TNF-α, IL-1β, IL-6 and iNOS mRNA production. LPS-induced expression of cyclooxygenase-2 (COX-2) was also significantly attenuated by ETH. Pretreatment with ETH reduced the I-κBα phosphorylation, p65 nuclear translocation as well as NF-κB-dependent transcriptional activity. In addition, ETH exhibited a significant protection against LPS-induced inflammatory mortality in mice. Taken together, these findings suggest that ETH can inhibit LPS-induced inflammation via suppressing NF-κB signaling pathway , indicating that ETH may be a potential anti-inflammatory agent.
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