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Design,Synthesis and Insecticidal Activities of Novel Phenyl Substituted Isoxazolecarboxamides

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Chemical Research in Chinese Universities 2012年第3期28卷 430-433页

作者： liU Peng-fei ZHANG Ji-feng YAN Tao XIONG li-xia li zheng-ming State Key Laboratory of Elemento-Organic Chemistry Institute of Elemento-Organic ChemistryNankai UniversityTianjin 300071P.R.China

Thirteen novel phenyl substituted isoxazolecarboxamides were synthesized, and their structures were characterized by IH NMR, elementary analysis and high-resolution mass spectrometry（HRMS） techniques. Their evaluated insecticidal activities against oriental armyworm（Mythimna separata） indicate that the phenyl substituted isoxazolecarboxamides exhibited moderate insecticidal activities, among which compounds 9c and 9k showed com- paratively higher activities.

关键词： Insecticidal activity Isoxazole Anthranilic diamide Isoxazolecarboxamide

Synthesis, Crystal Structure and Theoretically Study of 2-(Dimethylamino)-1,3-dithiocyanatopropane and Its Isomer

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Chemical Research in Chinese Universities 2011年第6期27卷 963-967页

作者： YU Guan-ping MA Yi liU Zhuo WANG Gang li zheng-ming State Key Laboratory of Elemento-organic Chemistry Research Institute of Elemento-organic Chemistry Nankai University Tianjin 300071 P. R. China

2-（Dimethylamino）-1,3-dithiocyanatopropane（1） has been prepared as a key intermediate synthesizing a natural insecticide Cartap by the reaction of 1-dimethylamino-2,3-dichloropropane with sodium thiocyanate. The crystal structures of compound 1 and its isomer 1-（dimethylamino）-2,3-dithiocyanotopropane（2） formed during the reaction were determined by X-ray single-crystal diffraction. Bond lengths in both the compounds are common and fall within normal ranges. There are some weak C―H×××N hydrogen bonds in the lattice of compound 1, which makes it form a three-dimensional network, which stabilize the crystal structure. No classic hydrogen bonds were founded in its isomer（2）, only van der Waals forces contribute to the stability of the structure. In addition, DFT and MP2 calculations with 6-311＋G（d, p） basis set have also been carried out to investigate the thermodynamic properties of compounds 1 and 2. The research will be applied to the further investigation of the tautomerization of compounds 1 and 2.

关键词： Cartap Crystal structure Theoretical calculation Thermodynamic property

Calcitriol Suppressed Isoproterenol-induced Proliferation of Cardiac Fibroblasts via Integrinβ3/FAK/Akt Pathway

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Current Medical Science 2023年第1期43卷 48-57页

作者： Xin-feng WANG Qian li Xia SUN li-ming zheng Shao-li CHENG Yan-he ZHU Department of Physiology and Pathophysiology School of Basic Medical SciencesXi’an Jiaotong University Health Science CenterXi’an710061China Department of Ultrasound the Second Affiliated Hospital of Xi’an Jiaotong UniversityXi’an710004China Basic Medical Experimental Teaching Center School of Basic Medical SciencesXi’an Jiaotong University Health Science CenterXi’an710061China Institute of Endemic Diseases School of Public HealthXi’an Jiaotong University Health Science CenterXi’an710061China

Objective Cardiac fibroblasts(CFs)proliferation and extracellular matrix deposition are important features of cardiac *** studies have indicated that vitamin D displays an anti-fibrotic property in chronic heart *** study explored the role of vitamin D in the growth of CFs via an integrin signaling *** MTT and 5-ethynyl-2′-deoxyuridine assays were performed to determine cell *** blotting was performed to detect the expression of proliferating cell nuclear antigen(PCNA)and integrin signaling *** fibronectin was observed by *** staining was employed to evaluate the expression of integrinβ*** The PCNA expression in the CFs was enhanced after isoproterenol(ISO)stimulation accompanied by an elevated expression of integrin beta-3(β3).The blockade of the integrinβ3 with a specific integrinβ3 antibody reduced the PCNA expression induced by the *** the integrinβ3 by siRNA reduced the ISO-triggered phosphorylation of FAK and *** the FAK inhibitor and Akt inhibitor suppressed the PCNA expression induced by the ISO in the ***(CAL),an active form of vitamin D,attenuated the ISO-induced CFs proliferation by downregulating the integrinβ3 expression,and phosphorylation of FAK and ***,CAL reduced the increased levels of fibronectin and hydroxyproline in the CFs culture medium triggered by the *** administration of calcitriol decreased the integrinβ3 expression in the ISO-induced myocardial injury *** These findings revealed a novel role for CAL in suppressing the CFs growth by the downregulation of the integrinβ3/FAK/Akt pathway.

关键词： vitamin D cardiac fibroblast proliferation integrin myocardial fibrosis

Synthesis and Herbicidal Activity of Novel Sulfonylureas Containing Thiadiazol Moiety

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Chemical Research in Chinese Universities 2008年第1期24卷 32-35页

作者： GUO Wan-cheng liU Xing-hai li Yong-hong WANG Su-hua li zheng-ming Institute of Elemento-Organic Chemistry State Key Laboratory of Elemento-Organic Chemistry Nankai University Tianjin 300071 P. R. China

Thirteen novel sulfonylureas containing thiadiazole moiety were synthesized in a two-step reaction. Their structures were determined using IR, ^1H NMR, HRFTMS, and elemental analysis. Herbicidal activities of these compounds were determined in the green house bio-assay. The results show that four compounds among them exhibit some activity toward four tested herbs.

关键词： Sulfonylurea Synthesis Herbicidal activity

Syntheses,Crystal Structures and Bioactivities of Two Novel Isatin Derivatives

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Chemical Research in Chinese Universities 2011年第4期27卷 595-598页

作者： SHANG Jian-li li Hui-dong SHANG Jun SONG Hai-bin li zheng-ming WANG Jian-guo State Key Laboratory of Elemento-Organic Chemistry Institute of Elemento-Organic Chemistry Nankai University Tianjin 300071 P. R. China

Two novel compounds 1-（4-fluorobenzyl）-4-chloro-（Z）-3-benzoylhydrazono-2-indolinone（1） and 1-（4-methoxybenzyl）-（Z）-3-benzoylhydrazono-2-indolinone（2） were synthesized and their crystal structures were determined by single-crystal X-ray *** 1（C22H15ClFN3O2） crystallized in the triclinic system,space group P1·with a=0.94198（19） nm,b=1.4339（3） nm,c=1.5018（3） nm,α=101.58（3）°,β=102.96（3）°,γ=102.73°,V=1.8602（6） nm3,Mr=407.82,Dc=1.456 g/cm3,μ=0.240 mm-1,F（000）=840,Z=4,R1=0.0442 and wR2=*** 2（C23H19N3O3） crystallized in the triclinic system,space group P1·with a=1.0022（2） nm,b=1.0192（2） nm,c=1.0461（2） nm,α=99.86（3）°,β=117.30（3）°,γ=94.13（3）°,V=0.9215（3） nm3,Mr=385.41,Dc=1.389 g/cm3,μ=0.094 mm-1,F（000）=404,Z=2,R1=0.0403 and wR2=*** preliminary herbicidal activities of the two compounds were also evaluated.

关键词： Acetohydroxy acid synthase(AHAS) Crystal structure Isatin derivative Herbicidal activity

Scaling laws governing the elastic properties of 3D graphenes

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Science China(Technological Sciences) 2024年第6期67卷 1748-1756页

作者： li ming LU Guo YU HaoDong li MengLei zheng FaWei Centre for Quantum Physics Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement(MOE)School of PhysicsBeijing Institute of TechnologyBeijing100081China Beijing Key Lab of Nanophotonics&Ultrafine Optoelectronic Systems School of PhysicsBeijing Institute of TechnologyBeijing100081China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing100088China Department of Physics Capital Normal UniversityBeijing100048China

In this study,we comprehensively investigated the scaling law for elastic properties of three-dimensional honeycomb-like graphenes(3D graphenes)using hybrid neural network potential-based molecular dynamics simulations and theoretical *** elastic constants were obtained as functions of honeycomb hole size,denoted by the graphene wall length *** five independent elastic constants in the large-L limit are proportional to L^(-1).The associated coefficients are combinations of elastic constants of two-dimensional ***-order terms including L^(-2)and L^(-3)emerge for finite L *** have three origins,the distorted areas close to the joint lines of 3D graphenes,the variation in solid angles between graphene plates,and the bending distortion of graphene ***,the chirality becomes essential with decreasing L because the joint line structures are different between the armchair and zigzag-type 3D *** findings provide insights into the elastic properties of graphene-based superstructures and can be used for further studies on graphene-based materials.

关键词： scaling law neural network elastic properties 3D graphene

Synthesis and Crystal Structure of 5-N-i-Propyl-2-(2′-nitrobenzenesulfonyl)-glutamine

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Chemical Research in Chinese Universities 2006年第6期22卷 760-762页

作者： XIAO Yong-jun WANG Jian-guo WANG Bao-lei li zheng-ming SONG Hai-bin Elemento-Organic Chemistry Institute State Key Laboratory of Elemento-Organic Chemistry Nankai University Tianjin 300071 P. R. China

The title compound, 5 -N-i-propyl-2-（2＇ -nitrobenzenesulfonyl）-glutamine, was synthesized and its structure was confirmed by IB, MS, ^1H NMB, and elemental analysis. The single crystal structure of the title compound was determined by X-ray diffraction. The crystal belongs to Monoclinic, space group P2（ 1 ）, with a =0. 69281 （ 11 ） nm, b = 0. 76508（12）, c = 1. 5843（3） nm, α=90°, β =90. 941 （3）°, γ =90°, V=0. 8397（2） nm^3, Z =-2, Dc = 1.477 g/cm^3,μ =0. 236 mm^-1, F（000） =392, R =0. 0297, and wR=0.0664.

关键词： 5 -N-i-Propyl-2-( 2' -nitrobenzenesulfonyl) -glutamine Synthesis Crystal structure

Synthesis and Biological Activity of Novel 2,3-Dihydro-2-phenylsulfonylhydrazono-3-(2′,3′,4′,6′-tetra-O-acetyl-β-D-glucopyranosyl)thiazoles

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Chemical Research in Chinese Universities 2009年第1期25卷 52-55页

作者： WANG Hao-an li Yu-xin li zheng-ming CHENG Hai-ying WANG Su-hua liU Bin Elemento-Organic Chemistry Institute State Key Laboratory of Elemento-Organic Chemistry National Pesticide Engineering Research Center Nankai University Tianjin 300071 P. R. China

A series of novel 2,3-dihydro-2-phenylsulfonylhydrazono-3-（2＇,3＇,4＇,6＇-tetra-O-acetyl-β-D-glucopyranosyl）thiazoles were designed and synthesized via the reaction of thiosemicarbazide with chloroaldehyde. Their chemical structures were characterized by ^1H and ^13C NMR spectroscopy and elemental analysis. The bioassay results indicate that some of these compounds exhibit moderate fungicidal and herbicidal activities.

关键词： Synthesis 2,3-Dihydrothiazole Biological activity

Quantitative Studies on Structure－Activity Relationships （QSAR） of Cytokinin－Active Phenyl Urea Derivatives（PUD）

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Chemical Research in Chinese Universities 1995年第4期11卷 291-298页

作者： QIAO li-xin li zheng-ming YANG Hua-zheng ZHAO Zhong-ren and ZHANG Dian-kun(Research Institute of Elemento-Organic Chemistry, Nankai University,Tianjin, 300071)LAI Cheng-ming(Department of Chemistry,Nankai University,Tianjin,300071) NANKAI UNIV RES INST ELEMENTOORGAN CHEMTIANJIN 300071PEOPLES R CHINA NANKAI UNIV DEPT CHEMTIANJIN 300071PEOPLES R CHINA

he quantitative studies on structure and cytokinin activity of the cucumber cotyledon expansion reiationshps of 35 urea compounds were conducted using pl1ysico-chemical parameters of the substituents and regression analysis,The position-specific hydrophobic,steric and electronic effects of substituents are important to the activity.A certain overlap of the optimum conformation of the ureido structure over Kinetin was *** coplanarity is discussed.

关键词： SAR,Cytokinin-active Phenyl areas