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QSAR Study of Thieno [2,3-d] Pyrimidine as a Promising Scaffold Using HQSAR, CoMFA and CoMSIA

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (5)

In this study, CoMFA, CoMSIA and HQSAR techniques were used to study the important characteristic activities of thieno [2,3-d] pyrimidine derivatives ......

Syntheses, Structures and Anticancer Activities of Two Tri(o-halobenzyl)tin Substituted Benzoates

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (5)

Tri(o-chlorobenzyl)tin 2,4,6-trimethylbenzoate (1) and tri(o-bromobenzyl)tin salicylate (2) were synthesized and characterized by elemental analysis, ......

Syntheses and Crystal Structures of a Pair of Z-E Enaminonitrile Isomerisms

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (6)

A pair of Z-E enaminonitrile isomerisms 2-(3,4-dimethoxyphenyl)-3-((3-methoxyphenyl)amino)acrylonitrile (C18H18N2O3, M-r = 310.34) were synthesized an......

Consensus Hologram QSAR Model Studying on the Aqueous Hydroxyl Radical Oxidation Reaction Rate Constants of Organic Micropollutants

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (8)

The combination of hologram quantitative structure-activity relationship (HQSAR) and consensus modeling was employed to study the quantitative structu......

Discovery of Novel Acetaldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors by Utilizing 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (5)

Acetaldehyde dehydrogenase 1A1 is a hopeful therapeutic target to ovarian cancer. In this present work, 3D-QSAR, molecular docking and molecular dynam......

Synthesis and Characterization of Organoboryl Germanium(II) Oxides Containing Ge-O-B and Ge-O-B-O-Ge Cores

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (6)

Organoboryl germanium(II) oxides were synthesized from the 1,4-addition reaction of L'Ge (L' = HC[C(CH2)N(Ar)]C(Me)N(Ar), Ar = 2,6-iPr(2)C(6)H(3)) wit......

Synthesis and Characterization of a New Quaternary Selenide Ba4Sn3GeSe9 Containing [SnGeSe5](4-) and [Sn2Se4](4-) Units

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (7)

A new quaternary selenide Ba4Sn3GeSe9 was synthesized by high temperature solid state reaction method and fully characterized by elemental analysis, U......

Theoretical Study of Electronic Structure, Formation Mechanism and Intramolecular Sulfoxide Imidation Reactivity of Iron Phthalocyanine Nitrene Complex

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (4)

Density functional theory (DFT) calculations are performed to investigate recent experimentally studied ring-closing sulfoxide imidation catalyzed by ......

Exploration of a Library of Triazolothiadiazines as Potent Plant Growth Promoters: Design, Synthesis, X-ray Diffraction Analysis and Bioactivity Studies

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (8)

A series of novel 3-methy1-6-ary1-7-aroy1-6,7-dihydro-5H41,2,41triazolo[3,4-b][1,3,4]thiadiazines were designed, synthesized and tested for their anti......

Crystal Structures, Terahertz Spectra and Dye Adsorption Performance of Three Lanthanide-bisphosphonate Complexes Containing Keggin Polyoxometalates

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (5)

Three lanthanide complexes [LnL(3)(H2O)]PMo12O40 center dot CH3CN (Ln = Dy(3+ )for 1, Ln = Ho3+ for 2, Ln = Lu3+ for 3, L = tetraethyl ethylenediphosp......

Syntheses, Structures and Catalytic Properties of Two Mn(II) and Cd(II) Coordination Polymers through in Situ Ligand Reaction

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (6)

Two coordination polymers, namely [Mn(mu-Hcpia)(bipy)(H2O)(2)](n) (1) and [Cd-3(mu(3)-Hcpia)(2)(mu-Hbiim)(2)(mu-H(2)biim)(H2O)(2)](n) (2), have been c......

Synthesis, Crystal Structure and Catalytic Activity of a Hexa-mu-chloro-tetrakis-(1-triphenylmethyltriazole)-mu(4)-oxo-tetracopper(II)

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (4)

A new Cu(II) complex, [Cu4Cl6O(1-TrTz)(4)] where 1-TrTz is 1-trityl-1H-[1,2,4]triazole, was synthesized by the reaction of 1-trityl-1H-[1,2,4]triazole......

Syntheses, Structures and Photocatalytic Degradation Properties of Two Copper(II) Coordination Polymers with Flexible Bis(imidazole) Ligand

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (5)

Two copper(II) coordination polymers {[Cu(bib)(nip)]center dot 1.5H(2)O}(n) (1) and [Cu-2(bib)(glu)(2)]n (2) (bib = 1,4-bis(2-methyl-imidazol-1-yl)but......

Four Complexes of Mn(II), Co(II), Ni(II) and Cu(II) Based on 2-Morpholine-4-yl-4,6-di-pyrazol-1-yl-1,3,5-triazine

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (6)

Three azide bridged complexes, namely, [Mn2L2(N-3)(4)(H2O)(2)] (1), [Co2L2(N-3)(4)]center dot(H2O)(3) (2) and [Ni2L2(N-3)(3)(H2O)]N-3 center dot(H2O)(......

Solvothermal Synthesis, Crystal Structure and Characterization of a New Binuclear Nickel(II) Complex with 2-(4-Methylbenzoyl)benzoic Acid

期刊: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (7)

A new binuclear nickel(II) complex [Ni-2(MBBA)(2)(HPT)(2)(H2O)(2)]center dot 2H(2)O (1) was synthesized with nickel hydroxide, 2-(4-methylbenzoyl)benz......

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