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Mapping the structure-activity relationship of

Worawan PANPIPAT, Hasene KESKIN, Zheng GUO

Frontiers of Chemical Science and Engineering 2015, Volume 9, Issue 1,   Pages 105-113 doi: 10.1007/s11705-015-1502-x

Abstract: The phase behavior of twelve synthesized -sitosteryl fatty acid esters with acyl moieties with different chain lengths (C2:0-C18:0) and different degrees of unsaturation (C18:1-C18:3) were investigated in pure and mixed Langmuir monolayers with phospholipids. The surface-pressure isotherms showed that short chain -sitosteryl fatty acid esters gave smaller mean molecular areas and had decreased monolayer stability and the long chain steryl esters did not produce collapsed plateaus. All the steryl esters displayed strong condensing effects, but there was a pronounced structural dependency: medium chain esters (C8 and C10) were less efficient than short and long chain esters. Atomic force microscopy imaging demonstrated that monolayers mixed with dipalmitoyl phosphatidylcholine (DPPC) displayed both DPPC-rich and steryl lipid-rich domains. However, the height and area differences between the two phases and the roughness and morphologic patterns were very dependent on the steryl lipid concentrations as well as the length, the degree of unsaturation and the molecular conformations of the acyl segments. These findings not only provide a better understanding of the interactions between phytosteryl hydrophobic derivatives and biomembranes, but also may be of general use for the design and engineering of phytosterol structural derivations for specific food and pharmaceutical applications.

Keywords： >-sitosteryl fatty acid esters     dipalmitoyl phosphatidylcholine     Langmuir monolayer     condensing effect     structure-activity    

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Predictive models on photolysis and photoinduced toxicity of persistent organic chemicals

Qing ZHANG

Frontiers of Environmental Science & Engineering 2013, Volume 7, Issue 6,   Pages 803-814 doi: 10.1007/s11783-013-0547-7

Abstract: Quantitative structure-activity relationship (QSAR) models that relate photodegradation kinetics or photoinduced

Keywords： quantitative structure-activity relationship (QSAR) models     photodegradation     persistent organic pollutants    

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Studies on QSAR of metalloporphyrin catalysts in the oxidation of cyclohexane to adipic acid

CHEN Yixia, SHE Yuanbin, XU Jing, LI Yan

Frontiers of Chemical Science and Engineering 2007, Volume 1, Issue 2,   Pages 155-161 doi: 10.1007/s11705-007-0029-1

Abstract: The QSAR models for each concerned metalloporphyrin were established, where the catalytic activity wasThe above results demonstrated that the proposed structure-activity relationship model could be appliedto design some new metalloporphyrin catalysts, and to predict their catalytic activity in cyclohexane

Keywords： cyclohexane     concerned metalloporphyrin     structure-activity relationship     metal-nitrogen     oxidation    

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

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 7,   Pages 1090-1100 doi: 10.1007/s11705-021-2091-5

Abstract: The insecticidal activity results indicated that some of them possessed excellent insecticidal activityThese compounds exhibited no activity against the insects Aphis medicagini and TetranychusThe structure- insecticidal activity relationships are discussed.

Keywords： synthesis     pyrimidin-4-amine derivatives     1     2     4-oxadiazole     insecticidal activity     structure-activity    

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Comparative genotoxicity of water processed by three drinking water treatment plants with different water treatment procedures

Ting Zhang, Heze Liu, Yiyuan Zhang, Wenjun Sun, Xiuwei Ao

Frontiers of Environmental Science & Engineering 2020, Volume 14, Issue 3, doi: 10.1007/s11783-020-1214-4

Abstract: genotoxicity was evaluated by an umu test, and the acute and chronic toxicity was analyzed through Ecological Structure- Activity Relationship (ECOSAR).

Keywords： Drinking water     Treatment process     Genotoxicity     Umu test     Ecological Structure-Activity Relationship    

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Synthesis, Characterization, and Antifungal Evaluation of Thiolactomycin Derivatives Article

Pei Lv, Yiliang Chen, Dawei Wang, Xiangwei Wu, Qing X. Li, Rimao Hua

Engineering 2020, Volume 6, Issue 5,   Pages 560-568 doi: 10.1016/j.eng.2019.10.016

Abstract: Compounds 11c and 11i displayed the highest activity with a broad spectrum.The different substituents on the benzylidene at the 5-position had significant effects on the activitywhile the introduction of a halogen atom at the benzene ring of benzylidene was able to improve the activity

Keywords： 3-Acylthiotetronic acid     Fungicide     Quantitative structure-activity relationship     Antifungal activity    

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Catalytic activity of noble metal nanoparticles toward hydrodechlorination: influence of catalyst electronicstructure and nature of adsorption

Man ZHANG,Feng HE,Dongye ZHAO

Frontiers of Environmental Science & Engineering 2015, Volume 9, Issue 5,   Pages 888-896 doi: 10.1007/s11783-015-0774-1

Abstract: surface area normalized reaction rate constant, , showed a systematic dependence on the electronic structure

Keywords： catalytic hydrodechlorination     electronic structure     metal nanoparticles     reaction mechanisms    

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Synthesis and

Wen Zhao, Jiahua Xing, Tianming Xu, Weili Peng, Xinghai Liu

Frontiers of Chemical Science and Engineering 2017, Volume 11, Issue 3,   Pages 363-368 doi: 10.1007/s11705-016-1595-x

Abstract: The bioassay results showed these fluorine-containing pyrazole carboxamides have a weak fungicidal activitybut some of them exhibit a good nematocidal activity against .

Keywords： fluorinated pyrazole carboxamide     synthesis     nematocidal activity     structure and activity relationship    

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Modeling of specific structure crystallization coupling with dissolution

Yuanhui JI, Hongliang QIAN, Chang LIU, Xiaohua LU, Xin FENG, Xiaoyan JI,

Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 1,   Pages 52-56 doi: 10.1007/s11705-009-0301-7

Abstract: In this paper, the research framework for specific structure crystallization modeling has been proposedThe first is the activity coefficient model of the solution, the second is Solid-Liquid equilibrium,Our investigations show that the mechanisms of complex structure formation and microphase transitionformation mechanism of the porous KCl has been analyzed, which may provide a reference for the porous structure

Keywords： structure crystallization     activity coefficient     reference     KCl     dissolution    

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Effects of preparation methods on the activity of CuO/CeO

Huanhuan Shang, Xiaoman Zhang, Jing Xu, Yifan Han

Frontiers of Chemical Science and Engineering 2017, Volume 11, Issue 4,   Pages 603-612 doi: 10.1007/s11705-017-1661-z

Abstract: promote the reduction of CuO to Cu species at the Cu-Ce interface, leading to its highest catalytic activityby the mechanical mixing method due to the separate phases of CuO and CeO , resulting in its lowest activity

Keywords： CuO/CeO2     CO oxidation     interfaces     structure-performance relationship     active sites    

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Photocatalytic activity of ZnO films with micro-grid structure

Chunzhi LI , Wenwen WANG , Junying ZHANG , Hailing ZHU , Weiwei ZHANG , Tianmin WANG ,

Frontiers of Environmental Science & Engineering 2009, Volume 3, Issue 3,   Pages 289-293 doi: 10.1007/s11783-009-0034-3

Abstract: A layer of zinc oxide (ZnO) micro-grid was deposited on the surface of ZnO film using the DC reactive magnetron sputtering method and the micro-sphere lithography technique on glass substrates. Samples of this layer were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and ultraviolet-visible light spectroscopy. X-ray diffraction showed the high crystallinity of ZnO film and the regular arrangement of the micro-grid. The micro-grid ZnO has a lower specular reflection and a higher diffuse reflection, allowing incident light to reflect two or three times to enhance the usage of light. Photocatalytic degradation experiments on methylene blue using both ZnO micro-grid and ordinary film showed that the ZnO micro-grid has better photocatalytic properties than ordinary film. The ZnO micro-grid enhanced the photocatalytic efficiency of ZnO film by 28% with a degradation time of 300min.

Keywords： Photocatalysis     ZnO micro-grid     polystyrene latex spheres template     diffuse reflection    

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Identification of resistant pharmaceuticals in ozonation using QSAR modeling and their fate in electro-peroxone process

Frontiers of Environmental Science & Engineering 2021, Volume 15, Issue 5, doi: 10.1007/s11783-021-1394-6

Abstract:

• Effect of converting ozonation to E-peroxone was studied on pharmaceutical removal.

Keywords： Ozone     Electro-peroxone     Wastewater     Quantitative structure activity relationship     Advanced oxidation    

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VITHM1 mediated green synthesis of silver nanoparticles: Mechanism and biological applications

Mani Abirami, Krishnan Kannabiran

Frontiers of Chemical Science and Engineering 2016, Volume 10, Issue 4,   Pages 542-551 doi: 10.1007/s11705-016-1599-6

Abstract: The 3D structure of the unit cell of the synthesized AgNPs was determined using XRD data base.The synthesized AgNPs exhibited significant antibacterial activity against tested bacterial pathogens

Keywords： Streptomyces ghanaensis VITHM1     nanoparticles     3D structure     antibacterial activity    

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IDEEA activity monitor: validity of activity recognition for lying, reclining, sitting and standing

Yuyu Jiang, Janet L. Larson

Frontiers of Medicine 2013, Volume 7, Issue 1,   Pages 126-131 doi: 10.1007/s11684-012-0236-0

Abstract: Most instruments measure physical activity and are not validated as measures of sedentary behavior.

Keywords： IDEEA     activity monitor     sedentary behavior    

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Production of pectic extracts from sugar beet pulp with antiproliferative activity on a breast cancer

Jacqueline CONCHA, Caroline WEINSTEIN, María Elvira Zú?IGA

Frontiers of Chemical Science and Engineering 2013, Volume 7, Issue 4,   Pages 482-489 doi: 10.1007/s11705-013-1342-5

Abstract: The structure of pectins, which depends on the extraction method, is decisive in their capacity to induceThe pectic extract was examined for its antiproliferative activity on the MCF-7 breast cancer cell lineof 12.5–25 mg/mL the pectic extract killed 80.6% of the cells, exhibiting a higher antiproliferative activity

Keywords： pectic extracts     antiproliferative activity     breast cancer     enzymatic treatment    

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Title Author Date Type Operation

Mapping the structure-activity relationship of

Worawan PANPIPAT, Hasene KESKIN, Zheng GUO

Journal Article

Predictive models on photolysis and photoinduced toxicity of persistent organic chemicals

Qing ZHANG

Journal Article

Studies on QSAR of metalloporphyrin catalysts in the oxidation of cyclohexane to adipic acid

CHEN Yixia, SHE Yuanbin, XU Jing, LI Yan

Journal Article

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

Journal Article

Comparative genotoxicity of water processed by three drinking water treatment plants with different water treatment procedures

Ting Zhang, Heze Liu, Yiyuan Zhang, Wenjun Sun, Xiuwei Ao

Journal Article

Synthesis, Characterization, and Antifungal Evaluation of Thiolactomycin Derivatives

Pei Lv, Yiliang Chen, Dawei Wang, Xiangwei Wu, Qing X. Li, Rimao Hua

Journal Article

Catalytic activity of noble metal nanoparticles toward hydrodechlorination: influence of catalyst electronicstructure and nature of adsorption

Man ZHANG,Feng HE,Dongye ZHAO

Journal Article

Synthesis and

Wen Zhao, Jiahua Xing, Tianming Xu, Weili Peng, Xinghai Liu

Journal Article

Modeling of specific structure crystallization coupling with dissolution

Yuanhui JI, Hongliang QIAN, Chang LIU, Xiaohua LU, Xin FENG, Xiaoyan JI,

Journal Article

Effects of preparation methods on the activity of CuO/CeO

Huanhuan Shang, Xiaoman Zhang, Jing Xu, Yifan Han

Journal Article

Photocatalytic activity of ZnO films with micro-grid structure

Chunzhi LI , Wenwen WANG , Junying ZHANG , Hailing ZHU , Weiwei ZHANG , Tianmin WANG ,

Journal Article

Identification of resistant pharmaceuticals in ozonation using QSAR modeling and their fate in electro-peroxone process

Journal Article

VITHM1 mediated green synthesis of silver nanoparticles: Mechanism and biological applications

Mani Abirami, Krishnan Kannabiran

Journal Article

IDEEA activity monitor: validity of activity recognition for lying, reclining, sitting and standing

Yuyu Jiang, Janet L. Larson

Journal Article

Production of pectic extracts from sugar beet pulp with antiproliferative activity on a breast cancer

Jacqueline CONCHA, Caroline WEINSTEIN, María Elvira Zú?IGA

Journal Article