JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Lingli Zhang,Chunjuan Huang
The equilibrium solubility of 6-bromo-2-methylquinoline in various binary blends [ethanol/isopropanol/N,N-dimethylformamide (DMF)/methanol + water] and ten monosolvents (methanol, ethanol, n-propanol, isopropanol, ethyl acetate, toluene, acetone, acetonitrile, DMF, and water) was studied by the isothermal method at 278.15–323.15 K under 101.2 kPa. Among the ten pure solvents, the maximum solubility in mole fraction was obtained in toluene (3.318 × 10–2), followed by ethyl acetate (2.991 × 10–2), acetone (2.764 × 10–2), acetonitrile (2.528 × 10–2), DMF (2.220 × 10–2), n-propanol (9.141 × 10–3), isopropanol (8.123 × 10–3), ethanol (3.896 × 10–3), methanol (9.981 × 10–4), and water (2.888 × 10–5) at 323.15 K. In four solvent mixtures, the maximum and minimum solubilities were obtained in the (DMF + water) and (methanol + water) blends. The solubility of 6-bromo-2-methylquinoline in pure solvents was only affected by temperature and calculated by the Apelblat, van’t Hoff, and NRTL models. The Jouyban–Acree (J–A), van’t Hoff–Jouyban–Acree (V–J–A), and modified Apelblat–Jouyban–Acree (A–J–A) models were used to evaluate the solubility data in mixed systems. The calculation of solvent effect deeply explored the dissolution behavior of 6-bromo-2-methylquinoline from the molecular point of view, and the results showed that the interaction between the solute and solvent was dominant. The apparent thermodynamic properties of 6-bromo-2-methylquinoline in pure solvents were obtained by van’t Hoff plots.
研究领域:
化学
·
物理化学
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DOI
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
·
2022
·Vol. 52
·期 1
·91-104
·
IF 2
Yu Yingmin,Yi Lingxiao,Wei Jiajun,Guo Hongyue,Li Min
The liquid–liquid equilibrium (LLE) data for ethylene glycol + 2-ethyl-1-hexanol + { n -hexane, 1-hexene, 2-propyl-1-heptanol, and isopropyl ether} were measured at 298.2 K under 101.3 kPa. The distribution constant ( D ) and selectivity ( S ) of 2-ethyl-1-hexanol in the systems were calculated to analyze the extraction ability of the four extractants. The Bachman and Othmer–Tobias equations were chosen to examine the experimental LLE data. The linear correlation coefficient R 2 is greater than 0.98, indicating that the linear fitting of the experimental data is good. The data were regressed by thermodynamic models NRTL and UNIQUAC. The deviation between experimental data and simulated data was calculated by the root mean square deviation (RMSD) and the absolute average deviation (AAD). The RMSD is less than 0.79% and the AAD is less than 0.46%. It indicates that the two models are suitable for the regression of the system.
研究领域:
化学工程
·
热力学
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DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2023
·
IF 6.1
Li-Xia Zhao,Wei Hu,Zi-Bin Jiang,Jia-Yu Wang,Kui Wang,Shuang Gao,Ying Fu,Fei Ye
4-Hydroxyphenylpyruvate dioxygenase inhibitors (Echinochloa crus-galli 1.13.11.27, HPPD) have gained significant popularity as one of the best-selling herbicides worldwide. To identify highly effective HPPD inhibitors, a rational design approach utilizing bioisosterism was employed to create a series of 2-(arylformyl)cyclohexane-1,3-dione derivatives. A total of 29 novel compounds were synthesized and characterized through various techniques, including IR, 1H NMR, 13C NMR, and HRMS. Evaluation of their inhibitory activity against Arabidopsis thaliana HPPD (AtHPPD) revealed that certain derivatives exhibited superior potency compared to mesotrione (IC50 = 0.204 μM). Initial herbicidal activity tests demonstrated that compounds 27 and 28 were comparable to mesotrione in terms of weed control and crop safety, with compound 28 exhibiting enhanced safety in canola crops. Molecular docking analyses indicated that the quinoline rings of compounds 27 and 28 formed more stable π–π interactions with the amino acid residues Phe-360 and Phe-403 in the active cavity of AtHPPD, surpassing the benzene ring of mesotrione. Molecular dynamics simulations and molecular structure comparisons confirmed the robust binding capabilities of compounds 27 and 28 to AtHPPD. This study provides a valuable reference for the development of novel triketone herbicide structures, serving as a blueprint for future advancements in this field.
研究领域:
植物学
·
药理学
·
农业科学
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DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2014
·
IF 2.468
Wei Wei,Yongfang Feng,Xi Zhang,Xi Cao,Fengqin Feng
To obtain high purity of 1,3-Dioleoyl-2-palmitoylglycerol (OPO), an important structured triglyceride for infant formula, a facile method was established. Tripalmitin (PPP) was firstly synthesized, and then OA was incorporated into the sn -1 and 3 position of the PPP glycerol backbone by acidolysis catalyzed using sn -1,3 regiospecific lipases. Two kinds of widely used immobilized sn -1,3 regiospecific lipases, Lipozyme TL IM and Lipozyme RM IM, were investigated in both solvent ( n -hexane) and solvent-free system. The results showed that Lipozyme TL IM and Lipozyme RM IM were suitable for solvent system and solvent-free system respectively. Other reaction conditions (enzyme load, substrate molar ratio, temperature, reaction time) were optimized. The palmitic acid (PA) at the sn -2 position of the obtained triacylglycerols (TAGs) under optimized conditions were 92.92% and 86.62%, and OPO contents in the final products were 32.34% and 40.23% in the solvent and solvent-free system respectively. Special emphasis was given to test the reusability of the two immobilized lipases, results showed that Lipozyme TL IM was almost non-reusable, while Lipozyme RM IM could keep its activity for at least 15 times (about 60 h). These results provide a guide for the industrial production of high purity OPO by facile method.
研究领域:
食品科学
·
生物化学
·
酶工程
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DOI
高影响因子
JOURNAL OF CHEMICAL RESEARCH
·
2018
·
IF 0.668
Xiaoyun Ma,Daqin He,Zhengjian Chen
A simple method for the preparation of nitriles in moderate to good yield has been achieved by treatment of aromatic and heterocyclic aldoximes with malononitrile in water at reflux in the presence of copper acetate as catalyst. Arylaldoximes with an electron-donating group showed the highest reactivity, their conversion being achievable at room temperature.
研究领域:
有机化学
·
合成化学
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DOI
高影响因子
INORGANIC CHEMISTRY
·
2022
·
IF 5.436
Mingyang Liu,Zhongwen Ouyang,Xiaochen Liu,Jiaojiao Cao,Tongtong Xiao,Zhengcai Xia,Zhenxing Wang
Isolated large-spin Heisenberg antiferromagnetic uniform chain is quite rare. Here, we have successfully synthesized an ideal one-dimensional (1D) S = 5/2 linear-chain antiferromagnet [C2NH8]3[Fe(SO4)3], which crystallizes in a trigonal lattice with the space group R3c. A broad maximum at Tmax = 18 K is observed in the magnetic susceptibility curve. Notably, no long-range magnetic ordering is observed down to 2 K even if the material has a large Curie–Weiss temperature of θCW = −25.5 K. High-field magnetization at 2 K shows a linear increase until saturation at 30 T, and a high-field electron spin resonance (ESR) reveals the absence of a zero-field spin gap. The intrachain interaction J and interchain interaction J′ are determined. Quite a small ratio of J′/J < 2.5 × 10–3 suggests that [C2NH8]3[Fe(SO4)3] behaves as an ideal 1D uniform linear-chain antiferromagnet, in which the magnetic ordering is prevented by the extremely small interchain interaction and quantum fluctuation even for a classical spin of S = 5/2.
研究领域:
物理学
·
材料科学
·
磁学
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DOI
高影响因子
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
·
2023
·
IF 10.9
Yinghao Wu,Jinming Wei,Xiaolu Shi,Wenjie Zhao
In the marine environment, the protective coatings face serious corrosion and biofouling problem, limitations, and challenges that made self-healing coatings unable to perform both anti-corrosion and anti-biofouling dual-function at the same time. Here we constructed the corrosion resistance and anti-biofouling self-healing coating by integrating nano-containers into the coating matrix, the 2-Undecylimidazoline (ULM) acted as a corrosion inhibitor and anti-biofouling dual-functional agent which was loaded on the natural container attapulgite (ATP). To obtain high healing efficiency, a fluidity-driven self-healing silicone oil coating was thickened by fibrous ATP to enhance its stability, which played a key role in the self-healing and long-term corrosion resistance. The self-healing time of ULM@ATP reinforced oil coating was 4 s at least in the air and up to 30 s in the 1 M HCl solution. Meanwhile, the ULM@ATP can significantly enhance the corrosion resistance of the self-healing coating, with the best effect achieved when the content of ULM@ATP was 5 wt.%. The impedance modulus of ULM@ATP-2 still reached 1.62 × 10 8 Ω cm 2 after 480 immersion in 3.5 wt.% NaCl solution, which is 3 orders of magnitude high than pure Oil coating (2.17 × 10 5 Ω cm 2 ). The restructure of the ATP network and the release of ULM could largely inhibit the corrosion of metal. The continuous open circuit potential of the composite coating performed the potentially infinite self-healing capacity. The self-healing performances of the composite coating in strong acid and base solutions exhibited high environmental suitability. This anti-corrosion and anti-biofouling (the surface coverage of adhered chlorella decreased 96.88%) dual-function strategy of self-healing coatings could be also realized by many other porous nano-materials or function modifications. The self-healing performances of the composite coating in strong acid and base solutions exhibited high environmental suitability. This anti-corrosion and anti-biofouling dual-function strategy of self-healing coatings could be also realized by many other porous nano-materials or function modifications. The rapid response self-healing coating possessed anti-biofouling and active self-healing functions and showed wide application under more service environments.
研究领域:
材料科学
·
海洋工程
·
防腐蚀技术
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DOI
高影响因子
ChemCatChem
·
2015
·Vol. 7
·期 9
·1470-1477
·
IF 4.556
Fenghua Xu,Zehui Zhang
Graphical Take baby steps: Polyaniline-grafted vanadyl acetylacetonate shows high catalytic activity for the oxidation of 5-hydroxymethylfurfural (HMF) under atmospheric oxygen pressure. A high HMF conversion of 99 % and a 2,5-diformylfuran (DFF) yield of 86 % are obtained after 12 h. More importantly, the synthesis of DFF directly from fructose is also realized with two binary catalysts: Amberlyst-15 and polyaniline–vanadyl acetylacetonate. Herein, polyaniline-grafted vanadyl acetylacetonate [VO(acac) 2 ] was prepared and used as an effective catalyst for the oxidation of 5-hydroxymethylfurfural (HMF) under atmospheric oxygen pressure. A high HMF conversion of 99.2 % was obtained after 12 h at 110 °C, and 2,5-diformylfuran (DFF) was obtained in 86.2 % yield. More importantly, the one-pot conversion of fructose into DFF was also realized with two binary catalysts: Amberlyst-15 and polyaniline–VO(acac) 2 . Amberlyst-15 was used for the acid-catalyzed dehydration of fructose into HMF, followed by the in situ oxidation of HMF catalyzed by polyaniline–VO(acac) 2 . DFF could be obtained in a yield of 42.1 % from fructose by using the one-pot reaction, whereas two consecutive steps gave a higher DFF yield of 71.1 %. Owing to the facile catalyst preparation and low cost, this method showed a promising potential for the synthesis of DFF from abundant carbohydrates.
研究领域:
化学工程
·
催化反应
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DOI
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2019
·
IF 4.784
Qiang Chu,Ruoyi Jia,Wen Chen,Yangyang Liu,Yonglu Li,Xiang Ye,Yong Jiang,Xiaodong Zheng
Ethyl Carbamate (EC), as a carcinogen widely found in fermented foods, was verified that its cytotoxicity was associated with oxidative stress. Polysaccharides from natural sources due to their antioxidative capacity have attracted great attention in the past time. In this study, purified polysaccharide from Tetrastigma hemsleyanum vines (TVP) with 64.89 kDA was extracted and conducted multiple analysis to identify its structural information. It could be discovered that TVP was composed of mannose, rhamnose, glucuronic acid, glucose, galactose, and arabinose. In vitro , TVP could inhibit cytotoxicity and genotoxicity, attenuate oxidative damage and mitochondrial dysfunction induced by EC in Caco-2 cells. Meanwhile, TVP could suppress apoptosis by mTOR and Bcl-2 signaling pathways, ameliorate oxidative via Sirt1-FoxO1 and Nrf2-Keap1 signaling pathways. In vivo , EC as well triggered the decline of survival and athletic ability in Caenorhabditis elegans ( C. elegans ) and TVP could reverse the decline. In the meantime, TVP could ameliorate oxidative damage in N2 and daf-2 (-) mutant but fail in daf-16 (-) mutant, which suggested that DAF-16 (FOXO) might affect the antioxidative protection of TVP in C. elegans . In brief, our results manifested that TVP could attenuate EC-induced cytotoxicity both in vitro and in vivo .
研究领域:
药理学
·
毒理学
·
分子生物学
·
细胞生物学
✓ 已验证
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2019
·
IF 4.084
Xuancheng Wang,Xuezhang Xiao,Jiaguang Zheng,Xu Huang,Man Chen,Lixin Chen
The solvent-free amorphous Mg(BH 4 ) 2 composite was in-situ synthesized by ball milling LiBH 4 and MgCl 2 . It is found that the onset dehydrogenation temperature of the as-synthesized composite is 126.9 °C, which is roughly 156 °C lower than that of pristine Mg(BH 4 ) 2 . The activation energy of the amorphous Mg(BH 4 ) 2 and pristine Mg(BH 4 ) 2 for the first dehydrogenation step was calculated as 120.01 kJ/mol and 487.99 kJ/mol, respectively. Hence the kinetics improvement is certified by the lower E a value of the dehydrogenation process. When adding NbF 5 into the composite, the catalyzed composite exhibits better hydrogen storage properties compared to pristine and amorphous Mg(BH 4 ) 2 . The catalyzed composite starts to release hydrogen at proximately 120 °C with a total capacity of 10.04 wt%. The reversibility of the catalyzed composite is also improved. The capacity of the catalyzed composite at the second cycle is 5.5 wt%. For the third and fourth cycles the catalyzed composite can still liberate 4 wt% H 2 . Besides, the onset hydrogen desorption temperature during four cycles are extremely lower than those of pristine and amorphous Mg(BH 4 ) 2 . The peaks of the intermediate MgB 12 H 12 is detected by FTIR as the regenerated hydrogenation product in the catalyzed composite. It can be speculated from the detailed analysis that there are mainly three reasons for the improved properties. Firstly, the additive NbF 5 is favorable to enhance the hydrogen storage properties by modifying the dehydrogenation path and producing MgF 2 and NbB 2 as new products. Secondly, the in-situ formation of amorphous Mg(BH 4 ) 2 is likely to improve the dehydrogenation properties of the samples due to its different reactivity comparing to crystal ones. Finally, LiCl can serve as buffer in the composite and thus improve the dehydrogenation properties.
研究领域:
材料科学
·
能源存储
✓ 已验证
DOI
高影响因子
APPLIED SURFACE SCIENCE
·
2019
·
IF 5.155
Lingxia Zheng,Lingtong Guan,Jianlan Song,Huajun Zheng
The rational structure design of nanohybrids plays a vital role in the supercapacitor performance of electrode materials . Herein, a novel sandwiched structure based on Ni(OH) 2 and amino-functionalized graphene quantum dots (Ni(OH) 2 /af-GQDs) is prepared via a facile green strategy. The layered Ni(OH) 2 nanosheets are spaced by amino groups from af-GQDs to afford a sandwiched configuration with an enlarged pore diameter of 1.8 nm, which leads to the decrease of random aggregation of Ni(OH) 2 nanosheets and dramatically facilitates the ion transport, thus contributing to the increased surface area and improved electrochemical capacitance . Besides, the introduction of af-GQDs leads to enhanced electrical conductivity and better cycling stability as well as contributing additional electrochemical double-layer capacitance, resulting in an outstanding specific capacitance of 2653 F g −1 at 1 A g −1 . An asymmetric supercapacitor (ASC) based on Ni(OH) 2 /af-GQDs and electrochemical-exfoliated graphene (EG) is assembled, exhibiting a wide potential window range, a high energy density , and an excellent cycling stability with 90.15% capacitance retention. These results definitely demonstrate the great potential of Ni(OH) 2 -based hybrid materials in the development of high-performance supercapacitors .
研究领域:
材料科学
·
能源存储与转换
✓ 已验证
DOI
高影响因子
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
·
2022
·Vol. 105
·期 5
·3438-3446
·
IF 4.186
Shuting Pang,Yiping Wang,Ying Yang,Jiyang Zhang,Querui Hu,Jingjing Shi,XiongJie Li
Bi(Zn 1/2 Ti 1/2 )O 3 −BiScO 3 −PbTiO 3 (BZT−BS−PT) high Curie temperature piezoelectric ceramics were synthesized by the conventional solid-state reaction method. Systematical investigations on the sintering, piezoelectric, and dielectric properties of the piezoceramics have been conducted. It was found that the sintering temperature could be remarkably depressed by varying the compositions in BZT−BS−PT systems. For composition of 11BZT−34BS−55PT ceramic, the sintering temperature is even lowered down to 750°C without any extra additions of sintering aids. Meanwhile, the ceramic sintered at this ultralow temperature presents dense microstructure with relative density up to 97%, as well as optimal properties of piezoelectric coefficient d 33 of 336 pC/N and Curie temperature of 415°C. The mechanism of low sintering temperature may be ascribed to the low melting point bismuth-based components in BZT−BS−PT solid solutions. Furthermore, 11BZT−34BS−55PT multilayer ceramics have been co-fired at 750°C with Ag internal electrodes. The dense structures, low cost, and optimal comprehensive properties of the co-fired multilayers illustrate obvious advantages of the ultralow sintering temperature in LTCC devices, implying promising applications of this Bi(Zn 1/2 Ti 1/2 )O 3 −BiScO 3 −PbTiO 3 high Curie temperature ternary system.
研究领域:
材料科学
·
电子工程
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）