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Synthesis, insecticidal activities and DFT study of pyrimidin-4-amine derivatives containing the 1,2,4

《化学科学与工程前沿（英文）》 2022年 第16卷 第7期   页码 1090-1100 doi: 10.1007/s11705-021-2091-5

摘要： Twenty six novel pyrimidin-4-amine derivatives containing the 1,2,4-oxadiazole motif were synthesized. Their chemical structures were confirmed by 1H nuclear magnetic resonance (NMR), 13C NMR, and high-resolution mass spectrography. The insecticidal activity results indicated that some of them possessed excellent insecticidal activity (100%) against Mythimna separate, especially for compounds 6d, 6f, 6o, 6w, 6y and 6z. These compounds exhibited no activity against the insects Aphis medicagini and Tetranychus cinnabarinus. The structure- insecticidal activity relationships are discussed. Density functional theory analysis can potentially be used to design more active compounds. These results provide useful insecticide design information for further optimization.

关键词： synthesis     pyrimidin-4-amine derivatives     1     2     4-oxadiazole     insecticidal activity     structure-activity relationship    

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Evaluation of 1,4-naphthoquinone derivatives as antibacterial agents: activity and mechanistic studies

《环境科学与工程前沿（英文）》 2023年 第17卷 第3期 doi: 10.1007/s11783-023-1631-2

摘要：

● All 1,4-naphthoquinone hybrids exhibited significant antimicrobial activity.

关键词： 1     4-naphthoquinone derivatives     Antibacterial     Action mechanism     RecA    

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Reaction and characterization of crosslinking hyperbranched poly (amine-ester) with succine anhydride

XIAO Ling, WEI Xiuzhen, ZHU Baoku

《化学科学与工程前沿（英文）》 2007年 第1卷 第4期   页码 355-359 doi: 10.1007/s11705-007-0064-y

摘要： Basing on hydroxyl terminated hyperbranched poly (amine-ester)s (HPAEs), the cross-linking reactions and preparation of ester-crosslinked HPAE films were investigated using succine anhydride (SA) as crosslink reagent. It was proved that the cross-linking reaction between HPAE and SA followed a two-step mechanism. This mechanism provides an efficient route to prepare HPAE/SA cross-linked films, in which, the precursor films were prepared by casting HPAE/SA solution at a lower temperature, and then curing the films at a higher temperature. By varying SA content, the solid HPAE/SA films with different cross-linking degrees were prepared successfully. The highest tensile strength of the cross-linked film could reach 59.60 MPa. With all water contact angle smaller than 74.3°, the crosslinked films demonstrated good hydrophilic properties.

关键词： different cross-linking     amine-ester     temperature     crosslinked     efficient    

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Design, synthesis, biological activity and density function theory study of pyrazole derivatives containing

Xiaoming Ding, Zhiwen Zhai, Luping Lv, Zhaohui Sun, Xinghai Liu

《化学科学与工程前沿（英文）》 2017年 第11卷 第3期   页码 379-386 doi: 10.1007/s11705-017-1634-2

摘要： A variety of pyrazole derivatives containing 1,3,4-thiadiazole moiety were synthesized under microwave irradiation, and their structures were confirmed by H NMR and HRMS. They were evaluated for herbicidal and antifungal activities, and the results indicated that two compounds with a phenyl group ( ) and 4- -butylphenyl group ( ) possess good herbicidal activity for dicotyledon and with the inhibition of 90% for root and 80%–90% for stalk at 100 ppm respectively. The structure-activity relationship of compounds and was also studied by density function theory method.

关键词： pyrazole     1     3     4-thiadiazole     antifungal activity     herbicidal activity     density function theory    

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Activated carbons and amine-modified materials for carbon dioxide capture –– a review

Zhenhe CHEN, Shubo DENG, Haoran WEI, Bin WANG, Jun HUANG, Gang YU

《环境科学与工程前沿（英文）》 2013年 第7卷 第3期   页码 326-340 doi: 10.1007/s11783-013-0510-7

摘要： Rapidly increasing concentration of CO in the atmosphere has drawn more and more attention in recent years, and adsorption has been considered as an effective technology for CO capture from the anthropogenic sources. In this paper, the attractive adsorbents including activated carbons and amine-modified materials were mainly reviewed and discussed with particular attention on progress in the adsorbent preparation and CO adsorption capacity. Carbon materials can be prepared from different precursors including fossil fuels, biomass and resins using the carbonization-activation or only activation process, and activated carbons prepared by KOH activation with high CO adsorbed amount were reviewed in the preparation, adsorption capacity as well as the relationship between the pore characteristics and CO adsorption. For the amine-modified materials, the physical impregnation and chemical graft of polyethylenimine (PEI) on the different porous materials were introduced in terms of preparation method and adsorption performance as well as their advantages and disadvantages for CO adsorption. In the last section, the issues and prospect of solid adsorbents for CO adsorption were summarized, and it is expected that this review will be helpful for the fundamental studies and industrial applications of activated carbons and amine-modified adsorbents for CO capture.

关键词： adsorption capacity     CO2 capture     activated carbon     amine-impregnated adsorbents    

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Discovery of cryptolepine derivatives as novel promising agents against phytopathogenic bacteria

《化学科学与工程前沿（英文）》 2023年 第17卷 第2期   页码 156-166 doi: 10.1007/s11705-022-2196-5

摘要： To ensure the production of food crops, a series of cryptolepine derivatives were synthesised, after which their antibacterial activities and mechanism of action against three plant pathogens were investigated. Our bioassay results indicated that most of the target compounds displayed potent inhibitory effects against Xanthomonas oryzae (X. oryzae) and Xanthomonas axonopodis pv. citri (X. axonopodis pv. c.). Remarkably, compound 9 exhibited the best in vitro antibacterial activity against X. oryzae, with a minimum inhibitory concentration (MIC) value of 0.78 μg·mL–1. Compound 2 exhibited the best in vitro antibacterial activity against X. axonopodis pv. c., with an MIC value of 0.39 μg·mL–1. These activities were superior to those of copper quinolate (MIC = 6.25, 25 μg·mL–1) and thiodiazole copper (MIC = 100, 200 μg·mL–1) against X. oryzae and X. axonopodis pv. c. In vivo experiments demonstrated the promising applicability of compound 9 for the control of rice bacterial infections. Furthermore, compound 9 was selected as a candidate to conduct preliminary analyses of the antibacterial mechanisms of cryptolepine derivatives. Scanning electron microscopy and transmission electron microscopy observations, extracellular polysaccharide production, biofilm formation, transcriptomic, quantitative reverse transcription-polymerase chain reaction analyses, and molecular docking assays were performed. Collectively, our findings demonstrated that compound 9 might act via multifarious mechanisms to down-regulate virulence factors and cause cell death.

关键词： cryptolepine derivatives     phytopathogenic bacteria     antibacterial activity     mechanism of action    

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Activated carbon-hybridized and amine-modified polyacrylonitrile nanofibers toward ultrahigh and recyclable

Fengli Li, Chuang Chen, Yuda Wang, Wenpeng Li, Guoli Zhou, Haoqin Zhang, Jie Zhang, Jingtao Wang

《化学科学与工程前沿（英文）》 2021年 第15卷 第4期   页码 984-997 doi: 10.1007/s11705-020-2000-3

摘要： Nanofibers with high specific surface area and chemical stability have broad prospects in the applications of adsorption. However, the adsorption capacity is limited by the scarcity of adsorption groups and storage space. Herein, the activated carbon-hybridized and amine-modified nanofibers are prepared by integrating activated carbon (AC) and polyacrylonitrile (PAN) via electrospinning method and the subsequent amination, which could provide additional storage space and adsorption groups for ultrahigh adsorption capability. Thus, the obtained amine-rich porous PAN nanofibers (APAN/AC) readily realized the ultrahigh adsorption capacity for metal ions and dyes in wastewater. Specifically, the adsorption capacity of APAN/AC nanofibers were 284 mg·g for Cr(VI) and 248 mg·g for methyl orange, which were almost 2 and 4 times than that of amine-modified nanofibers (APAN) and carbon-hybridized nanofibers (PAN/AC), respectively. Moreover, the AC inhibited the chain mobility of polymer matrix and thereby endowing APAN/AC nanofibers with excellent recyclability. The adsorption capability retained 80% after nine adsorption-desorption cycles. The adsorption kinetics and corresponding mechanism were further explored. This strategy combines the advantages of polymer nanofibers and AC, opening a new avenue for developing next-generation absorbent materials.

关键词： carbon-hybridized and amine-modified nanofibers     polyacrylonitrile     metal ions and dyes     wastewater     adsorption kinetics    

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Synthesis of spherical parallel manipulator for dexterous medical task

Abdelbadia CHAKER, Abdelfattah MLIKA, Med Amine LARIBI, Lotfi ROMDHANE, Sa?d ZEGHLOUL

《机械工程前沿（英文）》 2012年 第7卷 第2期   页码 150-162 doi: 10.1007/s11465-012-0325-4

摘要：

This paper deals with the design and the analysis of a spherical parallel manipulator (SPM) for a haptic minimally invasive surgery application. First the medical task was characterized with the help of a surgeon who performed a suture technique called anastomosis. A Vicon system was used to capture the motion of the surgeon, which yielded the volume swept by the tool during the anastomosis operation. The identified workspace can be represented by a cone with a half vertex angle of 26°. A multi objective optimization procedure based on genetic algorithms was then carried out to find the optimal SPM. Two criteria were considered, i.e., task workspace and mechanism dexterity. The optimized SPM was then analyzed to determine the error on the orientation of the end effector as a function of the manufacturing errors of the different links of the mechanism.

关键词： spherical parallel manipulator (SPM)     anastomosis     haptic     motion capture     optimization     workspace     dexterity     genetic algorithm     manufacturing errors    

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Discovery of novel ursolic acid derivatives as effective antimicrobial agents through a ROS-mediated

《化学科学与工程前沿（英文）》 2023年 第17卷 第12期   页码 2101-2113 doi: 10.1007/s11705-023-2361-5

摘要： In response to the reduction of food production and economic losses caused by plant bacterial diseases, it is necessary to develop new, efficient, and green pesticides. Natural products are rich and sustainable source for the development of new pesticides due to their low toxicity, easy degradation, and eco-friendliness. In this study, we prepared three series of ursolic acid derivatives and assessed their antibacterial ability. Most target compounds exhibited outstanding antibacterial activities. Among them, the relative optimal EC50 values of Xanthomonas oryzae pv. oryzae and Xanthomonas axonopodis pv. citri were 2.23 (A17) and 1.39 (A16) μg·mL–1, respectively. The antimicrobial mechanism showed that compound A17 induced an excessive accumulation and production of reactive oxygen species in bacteria and damaged the cell membrane integrity to kill bacteria. More interestingly, the addition of low concentrations of exogenous hydrogen peroxide enhanced the antibacterial efficacy of compound A17 against Xanthomonas oryzae pv. oryzae. These entertaining results suggested that compound A17 induced an apparent apoptotic behavior in the tested bacteria. Overall, we developed the promising antimicrobial agents that destroyed the redox system of phytopathogenic bacteria, further demonstrating the unprecedented potential of ursolic acid for agricultural applications.

关键词： ursolic acid     antibacterial activities     reactive oxygen species     apoptosis    

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Comparisons of bridges flutter derivatives and generalized ones

Fuyou XU , Zhe ZHANG , Cailiang HUANG , Airong CHEN ,

《结构与土木工程前沿（英文）》 2009年 第3卷 第3期   页码 272-278 doi: 10.1007/s11709-009-0042-1

摘要： The causes of the nonlinearity of self-excited aerodynamic force of bridge are interpreted from such two aspects as amplitude and wind velocity. The concept of “generalized flutter derivative” is proposed, and its physical meaning is illustrated. The graphs of the generalized flutter derivatives of plate and Sutong Bridge section model are plotted. The characteristics of all generalized flutter derivatives are compared and analyzed, and their superiorities are verified. The results indicate that the physical meaning of generalized flutter derivatives are more explicit compared to the traditional ones. It is more convenient to understand the nonlinearity properties of self-excited aerodynamic force of bridge according to the generalized flutter derivatives graphs with the wind velocity as the horizontal coordinate.

关键词： bridge     flutter derivative     generalized flutter derivative     self-excited aerodynamic force     Sutong Bridge    

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Synthesis and ultraviolet/aggregation-induced emission investigation of novel tetraphenylvinyl hydrazone derivatives

《化学科学与工程前沿（英文）》 2023年 第17卷 第12期   页码 2061-2073 doi: 10.1007/s11705-023-2366-0

摘要： Herein, three novel tetraphenylethylene hydrazone chemosensors TC12, SC16, and TC16 are prepared for the selective detection of F−. Two NH and one C=N units are incorporated into the sensors for better colorimetric responses, whereas the tetraphenyl unit is in charge of the aggregation-induced emission effect. Among them, compounds SC16 and TC16 form stable gels with some organic solvents. All the tetrahydrofuran/H2O solutions of the three compounds exhibit aggregation-induced emission effect, whereby the fluorescence emission increases by varying degrees with the volume of poor solvent water. Moreover, good aggregation-induced emission effects are observed in the self-assembly of SC16 and TC16. As a sample chemosensor, TC12 in tetrahydrofuran responds to F− selectively with high sensitivity, with the colorimetric and fluorometric detection limits of 8.25 × 10−7 mol·L–1 and 2.69 × 10−7 mol·L–1, respectively. The reversible gel-sol-gel phase transition and color changes indicate that both SC16-dimethyl sulfoxide and TC16-ethyl acetate gels specifically respond to F– with good sensitivity. The detection results are well supported by ultraviolet-visible spectroscopy, fluorescent spectroscopy, and 1H nuclear magnetic resonance. More importantly, the driving forces of gelation are visually clarified through the single crystal X-ray analysis of compound TOMe.

关键词： organogelator     tetraphenylvinyldrazone     single crystal     aggregation-induced emission effect     ion sensing    

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Effect of graphene and its derivatives on thermo-mechanical properties of phase change materials and

《能源前沿（英文）》 2022年 第16卷 第2期   页码 150-186 doi: 10.1007/s11708-021-0795-3

摘要： Phase change materials (PCMs) play a leading role in overcoming the growing need of advanced thermal management for the storage and release of thermal energy which is to be used for different solar applications. However, the effectiveness of PCMs is greatly affected by their poor thermal conductivity. Therefore, in the present review the progress made in deploying the graphene (Gr) in PCMs in the last decade for providing the solution to the aforementioned inadequacy is presented and discussed in detail. Gr and its derivatives ((Gr oxide (GO), Gr aerogel (GA) and Gr nanoplatelets (GNPs)) based PCMs can improve the thermal conductivity and shape stability, which may be attributed to the extra ordinary thermo-physical properties of Gr. Moreover, it is expected from this review that the advantages and disadvantages of using Gr nanoparticles provide a deep insight and help the researchers in finding out the exact basic properties and finally the applications of Gr can be enhanced.

关键词： phase change materials (PCMs)     graphene     thermal conductivity     characterization    

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Magnetic KIT-6 nano-composite and its amino derivatives as convenient adsorbent for U(VI) sequestration

《化学科学与工程前沿（英文）》 2023年 第17卷 第12期   页码 2037-2049 doi: 10.1007/s11705-023-2358-0

摘要： Although mesoporous silica with magnetically hybridized two-dimensional channel structures has been well studied in recent years, it remains a challenge to fabricate the counterpart with macroporous three-dimensional cubic structures since the highly acidic preparation conditions lead to dissolution of magnetic particles. Herein, we successfully prepared magnetic KIT-6 nano-composite and its amino derivatives by bearing acid-resistant iron oxide. The prepared materials exhibited excellent properties for U(VI) ions removal from aqueous solutions under various conditions. The experimental data show that the U(VI) adsorption features fast adsorption kinetics, high adsorption capacity and ideal selectivity toward U(VI). The adsorption process is of spontaneous and endothermic nature and ionic strength independence, and the adsorbents can be easily regenerated by acid treatment. Compared to pristine KIT-6, the introduction of magnetism does not reduce the efficiency of the material to remove U(VI) while exerting its role as a recovery adsorbent. The findings of this work further demonstrate the potential broad application prospects of magnetic hybrid mesoporous silica in radionuclide chelation.

关键词： magnetic nanoparticle     3D mesoporous silica     amino functionalization     adsorption of U(VI)     acid resistance    

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Synthesis of a cardanol-amine derivative using an ionic liquid catalyst

Atanu Biswas, Carlucio R. Alves, Maria T. S. Trevisan, Roseane L. E. da Silva, Roselayne F. Furtado, Zengshe Liu, H. N. Cheng

《化学科学与工程前沿（英文）》 2016年 第10卷 第3期   页码 425-431 doi: 10.1007/s11705-016-1581-3

摘要： Cardanol is a biobased raw material derived from cashew nut shell liquid. In order to extend its utility, new derivatives and additional applications are useful. In this work cardanol was first epoxidized, and a novel aniline derivative prepared from it under mild reaction conditions with the help of an ionic liquid catalyst. The reaction chemistry was studied by using nuclear magnetic resonance. The resulting aminohydrin adduct showed antioxidant property and should also be a useful synthon for further reactions. As an example, the aminohydrin was shown to undergo a condensation reaction with formaldehyde to form a prepolymer, which could be further reacted to form thermosetting resins.

关键词： cardanol     epoxidation     aminohydrin     aniline     ionic liquid     aniline-formaldehyde    

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New nanostructured sorbents for desulfurization of natural gas

Lifeng WANG, Ralph T. YANG

《化学科学与工程前沿（英文）》 2014年 第8卷 第1期   页码 8-19 doi: 10.1007/s11705-014-1411-4

摘要： Desulfurization of natural gas is achieved commercially by absorption with liquid amine solutions. Adsorption technology could potentially replace the solvent extraction process, particularly for the emerging shale gas wells with production rates that are generally lower than that from the large conventional reservoirs, if a superior adsorbent (sorbent) is developed. In this review, we focus our discussion on three types of sorbents: metal-oxide based sorbents, Cu/Ag-based and other commercial sorbents, and amine-grafted silicas. The advantages and disadvantages of each type are analyzed. Possible approaches for future developments to further improve these sorbents are suggested, particularly for the most promising amine-grafted silicas.

关键词： desulfurization     natural gas desulfurization     hydrogen sulfide sorbent     amine-silica sorbent    

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标题 作者 时间 类型 操作

Synthesis, insecticidal activities and DFT study of pyrimidin-4-amine derivatives containing the 1,2,4

期刊论文

Evaluation of 1,4-naphthoquinone derivatives as antibacterial agents: activity and mechanistic studies

期刊论文

Reaction and characterization of crosslinking hyperbranched poly (amine-ester) with succine anhydride

XIAO Ling, WEI Xiuzhen, ZHU Baoku

期刊论文

Design, synthesis, biological activity and density function theory study of pyrazole derivatives containing

Xiaoming Ding, Zhiwen Zhai, Luping Lv, Zhaohui Sun, Xinghai Liu

期刊论文

Activated carbons and amine-modified materials for carbon dioxide capture –– a review

Zhenhe CHEN, Shubo DENG, Haoran WEI, Bin WANG, Jun HUANG, Gang YU

期刊论文

Discovery of cryptolepine derivatives as novel promising agents against phytopathogenic bacteria

期刊论文

Activated carbon-hybridized and amine-modified polyacrylonitrile nanofibers toward ultrahigh and recyclable

Fengli Li, Chuang Chen, Yuda Wang, Wenpeng Li, Guoli Zhou, Haoqin Zhang, Jie Zhang, Jingtao Wang

期刊论文

Synthesis of spherical parallel manipulator for dexterous medical task

Abdelbadia CHAKER, Abdelfattah MLIKA, Med Amine LARIBI, Lotfi ROMDHANE, Sa?d ZEGHLOUL

期刊论文

Discovery of novel ursolic acid derivatives as effective antimicrobial agents through a ROS-mediated

期刊论文

Comparisons of bridges flutter derivatives and generalized ones

Fuyou XU , Zhe ZHANG , Cailiang HUANG , Airong CHEN ,

期刊论文

Synthesis and ultraviolet/aggregation-induced emission investigation of novel tetraphenylvinyl hydrazone derivatives

期刊论文

Effect of graphene and its derivatives on thermo-mechanical properties of phase change materials and

期刊论文

Magnetic KIT-6 nano-composite and its amino derivatives as convenient adsorbent for U(VI) sequestration

期刊论文

Synthesis of a cardanol-amine derivative using an ionic liquid catalyst

Atanu Biswas, Carlucio R. Alves, Maria T. S. Trevisan, Roseane L. E. da Silva, Roselayne F. Furtado, Zengshe Liu, H. N. Cheng

期刊论文

New nanostructured sorbents for desulfurization of natural gas

Lifeng WANG, Ralph T. YANG

期刊论文