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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-activityrelationship    

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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 EcologicalStructure- Activity Relationship (ECOSAR).

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

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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-activityrelationship    

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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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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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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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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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Relationship between the development of energy and mineral resources and ecological conservation redline

Dawei ZHANG

Frontiers of Engineering Management 2019, Volume 6, Issue 4,   Pages 557-563 doi: 10.1007/s42524-019-0077-5

Abstract: From a philosophical point of view, this study discusses the dialectical relationship between the developmentof energy and mineral resources and the ecological conservation redline.We propose that the ecological conservation redline and the development of energy and mineral resourcesshould be guided by ecological civilization construction, that is, the energy and mineral resourcesshould be rationally developed under the condition that the ecological environment is protected.

Keywords： ecological conservation redline     development of energy and mineral resources     coordinated development    

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computational toolbox for molecular property prediction based on quantum mechanics and quantitative structure-propertyrelationship

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 152-167 doi: 10.1007/s11705-021-2060-z

Abstract: In this paper, a framework combining quantum mechanics and quantitative structure-property relationshipis established for fast molecular property predictions, such as activity coefficient, and so forth.experimental data), which are stored in a database and further provided for the developments of quantitative structure-propertyrelationship methods for fast predictions of properties in the third step.

Keywords： molecular property     quantum mechanics     quantitative structure-property relationship     heat of reaction    

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Changes of ecological conditions induced by rock tunneling in Laoshan Mountain area

LI Xiaozhao, ZHAO Xiaobao, WANG Zhongsheng

Frontiers of Structural and Civil Engineering 2008, Volume 2, Issue 4,   Pages 366-370 doi: 10.1007/s11709-008-0056-0

Abstract: Through field investigation, this paper examined the changes of ecological conditions induced by tunnelfound that the environmental factors and vegetation situation have been influenced by the tunneling activityThe changed ecological conditions are beneficial for the settlement and growth of some herb and shrubThe results can be used as a reference for the long-term ecological study in this area.

Keywords： supplement     fragmentation     reference     tunneling activity     vegetation situation    

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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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HIGH QUALITY DEVELOPMENTAL APPROACH FOR SOIL AND WATER CONSERVATION AND ECOLOGICAL PROTECTION ON THE

Frontiers of Agricultural Science and Engineering 2021, Volume 8, Issue 4,   Pages 501-511 doi: 10.15302/J-FASE-2021425

Abstract: A series of ecological projects has implemented aimed at soil and water conservation and ecological managementThe effects of the ecological projects are apparent mainly through a marked increase in vegetation covererosion and reduced flow of sediment into the Yellow River, continual optimization of the industrial structureMajor problems have also been analyzed in ecological management including the fragile ecosystem of theCountermeasures to address the problems are suggested to guide ecological management and high-quality

Keywords： ecological management     high quality development     industrial structure     soil erosion     soil and water    

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Property-performance relationship of core-shell structured black TiO photocatalyst for environmental

Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 9, doi: 10.1007/s11783-023-1711-3

Abstract:

● Properties and performance relationship of CSBT photocatalyst were

Keywords： Black TiO2     Core-shell structure     Property-performance relationship     Agro-industrial effluent    

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Title Author Date Type Operation

Mapping the structure-activity relationship of

Worawan PANPIPAT, Hasene KESKIN, Zheng GUO

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

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

Synthesis, Characterization, and Antifungal Evaluation of Thiolactomycin Derivatives

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

Journal Article

Synthesis and

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

Journal Article

Effects of preparation methods on the activity of CuO/CeO

Huanhuan Shang, Xiaoman Zhang, Jing Xu, Yifan Han

Journal Article

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

Journal Article

Relationship between the development of energy and mineral resources and ecological conservation redline

Dawei ZHANG

Journal Article

computational toolbox for molecular property prediction based on quantum mechanics and quantitative structure-propertyrelationship

Journal Article

Changes of ecological conditions induced by rock tunneling in Laoshan Mountain area

LI Xiaozhao, ZHAO Xiaobao, WANG Zhongsheng

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

HIGH QUALITY DEVELOPMENTAL APPROACH FOR SOIL AND WATER CONSERVATION AND ECOLOGICAL PROTECTION ON THE

Journal Article

Property-performance relationship of core-shell structured black TiO photocatalyst for environmental

Journal Article