ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
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2017
·Vol. 72
·期 4
·257-261
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IF 0.631
Gao-Feng Wang,Xiao Zhang,Shu-Wen Sun,Hong Sun,Hui Li,Hui-Xuan Ma,Yu-Peng Tang,Xiao-Na Gao,Lei Yang
Two new copper(II) complexes, {[Cu(bipmo)(npa)]} n ( 1 ) and {[Cu(bipmo)(pa)]} n ( 2 ) (bipmo=bis(4-(1 H -imidazol-1-yl)phenyl)methanone), were synthesized by solvothermal methods and structurally characterized by elemental analyses, infrared spectroscopy, and single-crystal X-ray diffraction. The results from single-crystal X-ray diffraction data indicate that the solid state structures of 1 and 2 consist of neutral metal aromatic carboxylate layers, which are pillared by the weak interactions to generate 3D architectures. The topological structures of 1 and 2 are uninodal nets based on 4-connected nodes with the Schläfli symbol of (6 5 ·8).
研究领域:
化学
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材料科学
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DOI
高影响因子
JOURNAL OF CHEMICAL SCIENCES
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2024
·Vol. 136
·期 3
·1-11
·
IF 1.7
Zhao Zhicai
A series of 1-carbonyl-1 H -indoles were prepared by 2-iodoanilines and calcium carbide in a one-pot reaction catalyzed by recyclable10% Pb/C, resulting in the corresponding substituted indoles in good yields. This protocol offers several advantages, including the utilization of sustainable, low-cost calcium carbide, an easy-to-handle acetylene source, and recyclable Pb/C catalysts. Graphic abstract The synthesis of a series of 1-carbonyl-1 H -indoles were prepared by 2-iodoanilines and calcium carbide in a one-pot reaction catalyzed by 10% Pb/C, resulting in the corresponding substituted indoles in good yields. This protocol offers several advantages, including the utilization of sustainable, low-cost feedstock, an easy-to-handle acetylene source, and recyclable Pb/C catalysts.
研究领域:
有机化学
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绿色化学
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DOI
高影响因子
Energetic Materials Frontiers
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2022
·
IF 0
Zhi-qiang Wang,Zhen-qi Zhang,Shan-hu Sun,Mi Yan,Shi-liang Huang,Shuang-qi Hu,Jin-jiang Xu,Li-shuang Hu
Polymorphs of energetic materials generally exhibit distinct features, such as density, thermal stability, sensitivity, and detonation performance. These features are important in determining the appropriate applications of a given polymorph. To understand the thermal stability of new high explosive 4,4′,5,5′-tetranitro-1H,1′H- [2,2′-biimidazole]-1,1′-diamine (DATNBI), we systematically investigated its polymorphic transition (PT) under thermal stimulation and discovered a novel stable γ form of DATNBI. The results showed that the solid-solid PT path was β → α → γ . In this study, the three polymorphs of DATNBI were prepared through solvent recrystallization, and their PT processes in solution were explored. Crystal structure analysis of γ -DATNBI suggested that its special cross-cross grid crystal packing may be the main reason for its stable existence at room temperature and its lack of PT process before chemical decomposition, which starts at 240 °C. To further explore the PT process of DATNBI, the solid phase transition mechanism of DATNBI was analyzed using non-isothermal kinetics. The results demonstrated that the two high-temperature PT processes— β → α and α → γ —were not single-step reactions but complex multi-step reactions. The PT activation energy of the β → α process was slightly higher than that of the α → γ process. In addition, the influences of different polymorphs on the performance of DATNBI were explored. The results revealed that safety and detonation performance should decrease as a result of the incorporation of γ -DATNBI. This study contributes to understanding the PT behavior and the crystal structure evolutionary mechanism of DATNBI. This study provides practical support for formula design, process condition selection, and thermal stability evaluation of DATNBI explosives.
研究领域:
材料科学
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化学
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DOI
JOURNAL OF PHYSICAL CHEMISTRY B
·
2010
·
IF 3.471
Dongfang Zhang,Liuming Yan
The acid−base equilibrium in acid (phenylphosphonic acid, methylsulfonic acid, phosphoric acid, hydrochloric acid, acetic acid, and sulfuric acid)−benzimidazole (BIm) complexes was studied by 1H NMR spectra, FTIR spectra, and density functional theory (DFT) calculations. The DFT optimized structures of the acid−BIm complexes, the vibrational frequencies of the acidic protons, and potential profiles were applied to study the equilibrium between the acids and BIm. In gas phase, it was shown that the strong sulfuric acid could completely protonate BIm and the other acids could only incompletely protonate BIm. When the polarizable continuum model of DMSO was applied, it was shown that all the acids could completely protonate BIm, except the weak acetic acid and phenylphosphonic acid. Furthermore, the potential profile for the PPoA−BIm shows double-well structure facilitating the free movement of the acidic proton between PPoA and BIm. If an explicit solvent molecule of DMSO was included into an acid−BIm complex, significant changes in equilibrium between acid and BIm are observed. The potential profiles for the MSA−BIm and HCl−BIm show very flat bottom wells, facilitating the free movement of proton between the acid and BIm. These calculations were consistent with the 1H NMR chemical shifts of the immobile protons of the benzimidazole ring in DMSO-d6 and the FTIR spectra of the acid−BIm complexes.
研究领域:
物理化学
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计算化学
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光谱学
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理论化学
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有机化学
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DOI
高影响因子
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
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2026
·Vol. 62
·期 7
·154
·
IF 0.8
Zhai Le,Zhang Bomin,Wang Hongshe
A green and highly efficient protocol has been developed for the synthesis of 2,3-dihydroquinazolin-4(1 H )-ones via the cyclocondensation of 2-aminobenzamide with various aldehydes or ketones. The reactions proceed smoothly at room temperature in water, utilizing a catalytic amount of humic acid as an environmentally benign, cost-effective, and highly recyclable heterogeneous catalyst. This operational method offers several key advantages, including the use of an aqueous medium, mild operating conditions, excellent product yields, simple workup procedures, and seamless scalability to a gram scale.
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DOI
高影响因子
JOURNAL OF STRUCTURAL CHEMISTRY
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2018
·Vol. 59
·期 3
·744-747
·
IF 0.521
Sun S.-W.,Wang G.-F.
The synthesis of a novel Cu(I) complex with V-shaped bidentate ligands {[Cu(BIPMO)]×[CuBr 2 ]} n where BIPMO = bis(4-(1 H -imidazol-1-yl)phenyl)methanone is reported. It is characterized by IR spectroscopy, elemental analysis, and single crystal X-ray diffraction. Copper(I) ions in the complex are in a distorted environment in which donor atoms are provided by the bromide anion and nitrogen atoms of BIPMO ligands, respectively. Infinite anion chains formed by CuX 4 (X = Br or N) polyhedra are linked by BIPMO ligands to give rise to layers. Furthermore, the layers are linked into 3D networks through weak intermolecular interactions.
研究领域:
无机化学
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材料科学
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晶体学
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DOI
高影响因子
MOLECULES
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2025
·Vol. 30
·期 16
·3400
·
IF 4.6
Lina Hu,Mengjiao Li,Zheng Liu,Hui Yan,Xuekun Wang,Shiben Wang
To discover novel, potent anticonvulsant compounds, a series of compounds containing triazole structural fragments were synthesized and evaluated for their anticonvulsant activity. Compounds6f(maximal electroshock (MES), 50% effective dose (ED50) = 13.1 mg/kg; subcutaneous pentylenetetrazole (scPTZ), ED50= 19.7 mg/kg) and6l(MES, ED50= 9.1 mg/kg;scPTZ, ED50= 19.0 mg/kg) showed the best activity in MES andscPTZ tests. The results of an affinity test showed that the potent compounds had better binding to the GABAAreceptors. The results of an inhibitory neurotransmitter GABA content test in brain tissue indicated that compounds6fand6lexerted anticonvulsant activity which may be associated with the increase of GABA content in the rat brain. Elevated plus maze (EPM) assay results showed that compounds6fand6lpossessed anxiolytic effects, and their effects correlated with the binding sites of benzodiazepines (BZs) in the GABAAreceptors. Molecular docking was performed to investigate the interactions of the studied compound6lwith the GABAAreceptors on the molecular level.
研究领域:
药物化学
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药理学
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神经科学
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有机合成
✓ 已验证
DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
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2024
·
IF 4.9
Yin-Xu Pan,Qiu-Hui Xu,Dilshad Hussain,Qin-Feng Zhang,Jian-Li Chen,Dan Luo,Hua-Ming Xiao
Furan fatty acids (FuFAs) demonstrate superior antioxidant properties compared to singlet oxygen and free radical scavengers. Identifying FuFAs in potential raw materials for biodiesel production and converting them to corresponding methyl esters can enhance the auto-antioxidant properties, thereby improving biodiesel’s oxidative stability. However, current methods for identifying FuFAs are constrained by their instability and the lack of chemical standards. In this study, we present a density functional theory (DFT) assisted 1 H nuclear magnetic resonance (NMR) spectroscopy method to identify and quantify potential FuFAs during the oxidation process of plant oil samples, including coconut oil ( Cocos nucifera L.), cotton seed oil ( Gossypium barbadense L.), and palm oil ( Elaeis guineensis ). The characteristic hydrogen chemical shift (δ H ) at 2.47–2.66 ppm and 6.02–6.23 ppm for FuFA discovering were obtained from 18 putative FuFAs with varying chain lengths and methyl substituents. These predicted chemical shifts were utilized to detect FuFAs in plant oil samples and straight-chain long-chain fatty acids following a ten-day oxidation process. The results showed that no FuFAs were detected using our predicted 1 H NMR method. Additionally, the differences in oxidation patterns among the three plant oil samples were examined to underscore the impact of distinct fatty acid compositions on FuFA formation and other oxidation products. Our methodology circumvents the limitations of complex pretreatment and the scarcity of chemical standards for FuFAs detection, making it applicable to other real samples.
研究领域:
生物化学
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分析化学
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产品关联
DOI
高影响因子
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
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2017
·
IF 0.809
Jin Luo,Anlin Zhao,Caihua Zheng,Tao Wang
GRAPHICAL Display full size
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DOI
高影响因子
Journal of Saudi Chemical Society
·
2016
·Vol. 21
·期 3
·315-323
·
IF 1.978
Pei-Yi Wang,Ling Chen,Jian Zhou,He-Shu Fang,Zhi-Bing Wu,Bao-An Song,Song Yang
In this paper, a variety of 1-aryl-4-hydroxy-1 H -pyrrol-2(5 H )-one derivatives bearing 1,3,4-oxadiazole moiety were designed and synthesized. Preliminary bioassays suggested that these compounds not only exhibited favorable antibacterial activity toward plant pathogenic bacteria including Xanthomonas oryzae pv. oryzae ( Xoo ), Ralstonia solanacearum ( R. solanacearum ), and Xanthomonas axonopodis pv. citri. ( Xac ), but also demonstrated certain curative and protective activities against Tobacco mosaic virus (TMV). Further studies revealed that compounds 8a and 8l exerted the best inhibition effect against Xoo with the half-maximal effective concentration (EC 50 ) values of 8.6 and 7.3 μg/mL, respectively, which were better than that of commercial agricultural antibacterial bismerthiazol (EC 50 = 92.6 μg/mL). Given the above results, this kind of compounds can be further studied and explored as alternative antibacterial agents.
研究领域:
药物化学
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农业化学
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抗菌剂
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病毒学
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有机合成
✓ 已验证
DOI
高影响因子
HELVETICA CHIMICA ACTA
·
2012
·Vol. 95
·期 2
·320-326
·
IF 1.478
Lianbao Ye,Yuanxin Tian,Zhonghuang Li,Jiajie Zhang,Shuguang Wu
Since deregulation of the tyrosine-kinase receptor c-Met is implicated in several human cancers and is an attractive target for small-molecule-drug discovery, we report herein the synthesis of 2,3,4,5-tetrahydro-8-[1-(quinolin-6-ylmethyl)-1 H -1,2,3-triazolo[4,5- b ]pyrazin-6-yl]-1 H -pyrido[4,3- b ]indoles 4a – 4c and 2,3,4,5-tetrahydro-8-[3-(quinolin-6-ylmethyl)-1,2,4-triazolo[4,3- b ]pyridazin-6-yl]-1 H -pyrido[4,3-b]indoles 5a – 5c . These indole derivatives demonstrated inhibition of c-Met kinase activity. Concurrently, five key intermediates were synthesized. These compounds could be prepared in good yields.
研究领域:
药理学
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肿瘤学
·
药物化学
✓ 已验证
DOI
高影响因子
EUROPEAN POLYMER JOURNAL
·
2019
·
IF 3.621
Peng Zhang,Lei Kan,Xinyue Zhang,Rui Li,Chuanqi Qiu,Ning Ma,Hao Wei
Multiple hydrogen bonds have been widely used to form a supramolecular network and endow materials with enhanced mechanical strength, good elasticity, and/or self-healing properties. In this study, 2-ureido-4[1H]-pyrimidone (UPy) compounds were synthesized and chemically grafted onto the side chain of epoxy resins. The UPy-modified epoxy resin demonstrated substantial improvements in toughness and elasticity compared with unmodified epoxy resin as proven by a tensile test and distortion test. The breaking elongation of the UPy-modified epoxy resin was 5 times higher than that of unmodified epoxy resin under a tensile test. In addition, the fracture mechanism of the modified epoxy resin matched with the ductile fracture rather than the brittle fracture of unmodified epoxy resins. The introduction of quadruple hydrogen bonds by chemical modification may provide a simple and effective way to design and prepare highly flexible thermosetting resin materials.
研究领域:
材料科学
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化学工程
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）