《结构化学》杂志2019年第11期期刊目录-发表之家

査重原创声明

作者：《结构化学》编辑部刊期：2019年第11期

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Quantitative Structure-chromatographic Retention Relationship for Polychlorinated Dibenzothiophenes and Their Corresponding Sulfones

作者：朱建清; 王维; 许惠英; 许晓路; 邹建卫刊期：2019年第11期

Polychlorinated dibenzothiophenes(PCDTs)and their corresponding sulfone(PCDTO2)compounds are a group of important persistent organic pollutants.In the present study,geometrical optimization and subsequent calculations of electrostatic potentials(ESPs)on molecular surface have been performed for all 135 PCDTs and 135 ...
Comparison of Fungicidal Difference of Two Arylpyrazoles Based on the Crystal Structures,Density Functional Theory Calculation and Molecular Docking

作者：刘媛媛; 李壹; 吕坤志刊期：2019年第11期

Two arylpyrazoles I andⅡwere synthesized and characterized by NMR and single-crystal X-ray diffraction.Compound I displayed 71.4%fungicidal inhibition rate against Rhizoctonia solani at 0.1 ppm,better than the control pyraclostrobin,whereasⅡhad little activity.Their fungicidal difference was discussed from theoreti...
Oxygen Atom Transfer Reaction of Manganese-oxo Corrole toward Dimethyl Sulfide:a Density Functional Study

作者：徐艳; 徐志广; 章小慧; 陈华彬; 许旋; 刘海洋刊期：2019年第11期

The effects of axial ligand on the oxygen atom transfer(OAT)reaction from 5,10,15-tris(pentafluorophenyl)corrole((tpfc)MnVO)to dimethyl sulfide(DMS)have been investigated by density functional theory(DFT)calculations.Imidazole(Im),4-methylimidazole(4-MI)and pyridine(Py)were selected as the axial ligands.The results r...
Quantitative Structure-activity Relationship Models of Monomer Reactivity

作者：禹新良; 易翔; 杨辉琼刊期：2019年第11期

The reactivity parameters,Q and e,in the Q-e scheme reflect the reactivities of a monomer(or a radical)in free-radical copolymerizations.By applying multiple linear regression(MLR)analysis,the optimal quantitative structure-activity relationship(QSAR)model for the reactivity parameter lnQ was developed based on five ...
3D-QSAR Studies on the Anti-tumor Activity of N-Aryl-salicylamide Derivatives

作者：冯惠; 冯长君刊期：2019年第11期

In the present work,comparative molecular field analysis(CoMFA)techniques were used to perform three-dimensional quantitative structure-activity relationship(3D-QSAR)studies on the anti-tumor activity(pHi,i=1,2,3,4)of N-aryl-salicylamide derivatives against four cancer cell lines,including A549,MCF-7,SGC-7901,and Bel...
Synthesis,Crystal Structure and Herbicide Activity of Three Phenyl-naphthyl Methanone Derivatives

作者：付颖; 张帅琦; 韩志波; 王奎; 康晶欣; 叶非刊期：2019年第11期

Three phenyl-naphthyl methanone derivatives have been designed and synthesized through alkylation and Friedel-Crafts acylation reactions.All the compounds were characterized by IR,1H NMR,13C NMR and H RMS.The single crystal structure of the compounds has been further determined by X-ray diffraction.(4-Ethoxynaphthale...
Synthesis,Crystal Structure and Biological Activity of 1-(3-Amino-4-morpholino-1H-indazole-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

作者：季晓晖; 赵娟; 卢久富; 薪玲侠; 葛红光刊期：2019年第11期

The title compound 1-(3-amino-4-morpholino-1H-indazole-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide was synthesized by the condensation of 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid with 4-morpholino-1H-indazol-3-amine.This intermediate was prepared from 2,6-difluorobenzonitrile by the co...
Synthesis,Crystal Structure and Antitumor Activities of N,N,1-Triphenyl-1Hbenzo[d]imidazol-5-amine Derivatives

作者：邵佳新; 郭子茵; 彭士勇; 朱忠智; 陈修文刊期：2019年第11期

In order to discover the novel antitumor agents,a series of N,N,1-triphenyl-1Hbenzo[d]imidazol-5-amine derivatives were designed and synthesized,and the structures were characterized by IR,H-RMS,1H and 13C NMR.X-ray crystallography showed that 4c is in monoclinic system,space group P1 with a=9.209(2),b=9.533(3),c=14....
Syntheses,Crystal Structures and Biological Activities of Three New Benzoxazole Derivatives Containing Pyridyl Moiety

作者：幸国香; 陶家宇; 王小雨; 李铮铮; 房仙颖; 郭颖昕; 付博; 徐海军刊期：2019年第11期

Three novel benzoxazole derivatives based on the pyridyl group were designed and synthesized from 2-methylbenzoxazole and three different types of pyridylaldehyde.Their structures were confirmed by HRMS,1H NMR,13C NMR and IR.Among them,the crystal structures of compounds 1 and 3 were also determined by single-crystal...
Solvothermal Synthesis,Structure and the Secondorder NLO Properties of a Novel Non-metal 3-D Borophosphate:(NH4)2[B2P2O8(OH)2]

作者：冯玉全; 赵茜; 毕冬琴刊期：2019年第11期

A new non-metal 3-D borophosphate compound formulated as(NH4)2[B2P2O8(OH)2](1)has been synthesized by a solvothermal method and characterized by elemental analysis,energy-dispersive X-ray spectroscopy(EDS),IR spectrum and single-crystal X-ray diffraction.The borophosphate(NH4)2[B2P2O8(OH)2]crystallizes in the cubic s...
Facile One-step Synthesis of Cu2O@Cu Nano-sheet Composites as Reduced Catalyst

作者：陈晓烨; 郭鸿旭; 应少明刊期：2019年第11期

Cu2O@Cu nanocomposite was prepared by a simple high temperature calcination reaction in N2 atmosphere.The as-prepared samples were characterized by XRD,SEM and TEM,which indicated that the product formed by nano-sheets stacking had a high specific surface area.The as-synthesized material shows efficient catalytic act...
Facile Synthesis,Morphologies and Gas Sensing Properties of CuO Powder

作者：黄旭; 荆卫东; 汤德平; 俞瀚; 吴啸; 郑兴华刊期：2019年第11期

CuO powder with microspheres,submicron sheets had been synthesized only from CuSO4 and Na2CO3 aqueous solutions by a facile route.Significant effects of initial droplet size of CuSO4 aqueous solution were observed on particle size,morphology and gas sensitivity of CuO.The morphologies of CuO powder varied from micros...
Synthesis and Fluorescent,Magnetic and Thermal Stability Properties of a New Europium(Ⅲ)Complex Eu2(C15H11O3)6(C12H8N2)2

作者：李姣娣; 吴招招; 孙悦; 杨瑛; 庾江喜; 杨颖群刊期：2019年第11期

A new europium(III)complex Eu2(C15H11O3)6(C12H8N2)2 has been synthesized with 2-(4-Methylbenzoyl)benzoic acid and 1,10-phenanthroline as ligands.Crystal data for the complex are as follows:monoclinic,space group P21/n,a=15.1238(5),b=13.5928(4),c=22.9840(7)Å,β=104.132(3)º,V=4582.0(2)Å3,Dc=1.522 g/cm3,Z=4,μ(MoKα)=1.433...
Preparation,Structures and Magnetic Properties of Two Co-based Clusters with Triangular Core and Cuboidal Core Geometries

作者：李启彭; 沈燕琼; 钱金杰刊期：2019年第11期

Two novel Co-based clusters with the 2-(hydroxylmethyl)pyridine(hmpH)ligand,formulated as[Co3(hmp)6(hmpH)]×2NO3×3H2O(ZTU-3)and[Co4(hmp)4(CH3CO2)2(H2O)4]×2NO3(ZTU-4),have been successfully synthesized and structurally characterized.ZTU-3 features a triangular core geometry,while ZTU-4 exhibits a cuboidal core geometry...

结构专业论文结构主义论文结构主义语言学结构优化方法结构化债券投资结构化教学论文结构工程师职称论文结构工程毕业论文结构工程硕士论文结构工程职称论文结构工程论文结构施工识图总结

结构化学杂志 SCI期刊 CSCD期刊

Chinese Journal of Structural Chemistry

査重原创声明

Quantitative Structure-chromatographic Retention Relationship for Polychlorinated Dibenzothiophenes and Their Corresponding Sulfones

Comparison of Fungicidal Difference of Two Arylpyrazoles Based on the Crystal Structures,Density Functional Theory Calculation and Molecular Docking

Oxygen Atom Transfer Reaction of Manganese-oxo Corrole toward Dimethyl Sulfide:a Density Functional Study

Quantitative Structure-activity Relationship Models of Monomer Reactivity

3D-QSAR Studies on the Anti-tumor Activity of N-Aryl-salicylamide Derivatives

Synthesis,Crystal Structure and Herbicide Activity of Three Phenyl-naphthyl Methanone Derivatives

Synthesis,Crystal Structure and Biological Activity of 1-(3-Amino-4-morpholino-1H-indazole-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

Synthesis,Crystal Structure and Antitumor Activities of N,N,1-Triphenyl-1Hbenzo[d]imidazol-5-amine Derivatives

Syntheses,Crystal Structures and Biological Activities of Three New Benzoxazole Derivatives Containing Pyridyl Moiety

Solvothermal Synthesis,Structure and the Secondorder NLO Properties of a Novel Non-metal 3-D Borophosphate:(NH4)2[B2P2O8(OH)2]

Facile One-step Synthesis of Cu2O@Cu Nano-sheet Composites as Reduced Catalyst

Facile Synthesis,Morphologies and Gas Sensing Properties of CuO Powder

Synthesis and Fluorescent,Magnetic and Thermal Stability Properties of a New Europium(Ⅲ)Complex Eu2(C15H11O3)6(C12H8N2)2

Preparation,Structures and Magnetic Properties of Two Co-based Clusters with Triangular Core and Cuboidal Core Geometries

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