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Chinese Journal of Structural Chemistry 2015年第5期34卷 719-724页

作者： KONG Zhi-Guo WANG Wei BI Hui-Ying HAN Qian HE Gui-Yuan LI Fang-Yuan Key Laboratory of Preparation and Applications of Environmental Friendly Materials Jilin Normal UniversityMinistry of Education Department of Chemistry Jilin Normal University

In this work,a new two-dimensional Cd（Ⅱ） coordination polymer,[Cd3（L）2（cis-1,4-chdc）2（trans-1,4-chdc）]（1,L = 11-fluoro-dipyrido[3,2-a：2’,3‘-c]phenazine and 1,4-H2 chdc = 1,4-cyclohexanedicarboxylatic acid）,has been prepared under hydrothermal *** crystallizes in triclinic,space group P1 with a = 8.6951（8）,b = 10.8362（9）,c = 14.9445（13） A,α = 76.443（2）,β = 81.8670（10）,γ = 82.0640（10）°,V = 1347.0（2） A^3,Z = 1,C60H48Cd3F2N8O12,Mr = 1448.26,Dc = 1.785 g/cm^3,F（000） = 722,μ（Mo Ka） = 1.255 mm^-1,R = 0.0333 and w R = *** 1,4-chdc^2-carboxylates bridge the Cd（Ⅱ） cations to form a tri-nuclear Cd（Ⅱ） cluster,which are held together by the cis-1,4-chdc^2-ligands to generate a double-stranded ***,the trans-1,4-chdc^2-ligands bridge adjacent double-stranded chains to yield an interesting two-dimensional *** π-π interactions among L ligands of neighboring networks result in an interesting three-dimensional supramolecular *** addition,the thermal behavior and luminescent property of 1 have been studied.

关键词： crystal structure coordination polymer 11-fluoro-dipyrido[3 2-a:2' 3'-c]phenazine 1 4-cyclohexanedicarboxylatic acid

Synthesis, Crystal Structure and DNA Interaction Study of 3-(2-(3,5-Diphenyl-4,5-dihydropyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one

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Chinese Journal of Structural Chemistry 2015年第7期34卷 1013-1018页

作者： MURTAZA Madni SHAHID Hameed MUHAMMAD Naeem Ahmed KHAWAJA Ansar Yasin MUHAMMAD Nawaz Tahir Department of Chemistry Quaid-i-Azam University Department of Chemistry The University of Azad Jammu and Kashmir University of Sargodha Department of Physics

A new compound 3-（2-（3,5-diphenyl-4,5-dihydropyrazol-1-yl）thiazol-4-yl）-2Hchromen-2-one was synthesized by cyclocondensation of 3,5-diphenyl-4,5-dihydropyrazole-1-carbothioamide with 3-（2-bromoacetyl）-2H-chromen-2-one in ethanol at reflux for 2hrs. The compound was characterized by IR, 1H-NMR, 13C-NMR and single-crystal X-ray diffraction analysis. The newly synthesized compound（C27H19N3O2S） crystallizes in the triclinic system, space group P1 with a = 5.2476（6）, b = 18.289（2）, c = 23.115（3） , α = 93.546（7）, β = 94.715（6）, γ = 92.347（7）°, V = 2204.3（4）3, Z = 4, Mr = 449.51, crystal size = 0.38 mm × 0.22 mm × 0.16 mm,（I 2σ（I）） = 35317, 9736, 3785, Rint = 0.081,（Δρ）max = 0.19 and（Δρ）min = –0.24 e·-3. DNA interaction studies revealed that the target compound strongly interacts with DNA through an intercalation binding mode and the binding constant of the compound is 7.45 × 104 M-1.

关键词： binding constant DNA Interaction crystal structure cyclocondensation reaction 1 3-thiazole

Comparative Studies on Two 1,8-Naphthalimide Derivatives with Experimental and Theoretical Methods

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Chinese Journal of Structural Chemistry 2014年第5期33卷 676-686页

作者：赵朴素景龙李玉峰朱园王静建芳芳 New Materials & Function Coordination Chemistry Laboratory Qingdao University of Science and Technology Jiangsu Key Laboratory for Chemistry of Low-dimensional Materials Huaiyin Normal University

Two 1,8-naphthalimide derivatives of 7H-benzimidazo[2,1,-a]benz[de] isoquino- lin-7-one（1） and 4-bromo-7H-benzimidazo[2,1,-a]benz[de]isoquinolin-7-one（2） have been synthesized and characterized by elemental analysis, IR, 1H NMR, UV-Vis and fluorescence spectra. For the two compounds, density functional theory（DFT） calculations of the structures and natural population atomic charge analysis have been performed at the B3LYP/6-311G＊＊ level of theory. Based on Onsager reaction filed model and by using TD-DFT method at the B3LYP/6-311G＊＊ level, electron spectra of 1 and 2 with solvent effect in CHCl3 solvent have been predicted, which are in agreement with the experimental ones. Comparative studies on 1 and 2 indicate that introducing an electron-withdrawing group of Br into the 4-position of naphthalene ring in 2 does not significantly make the molecular geometry of 2 different from that of 1, but evidently changes the atomic charge redistribution, moves the positive-negative charges center and then changes the dipole moment in 2. Additionally, for compound 2, the existence of Br atom has also influenced the peak intensity and peak locations in both electron and fluorescence spectra.

关键词： 1 8-naphthalimids DFT calculation atomic charge distribution electronic spectra fluorescence spectra

Synthesis,Crystal Structure and Biological Activity of 2-(Anthracen-9-yl)-5-p-tolyl-1,3,4-oxadiazole

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Chinese Journal of Structural Chemistry 2012年第3期31卷 367-372页

作者：李新伟何道航 School of Chemistry and Chemical Engineering South China University of Technology

A novel compound,2-（anthracen-9-yl）-5-p-tolyl-1,3,4-oxadiazole（C23H16N2O）,has been synthesized by the condensation of 4-methylbenzohydrazide and anthracene-9-carbaldehyde in an ethanol solution with *** compound was characterized by 1H-NMR,13C-NMR,MS and single-crystal X-ray *** crystal belongs to the triclinic system,space group P with a = 7.7817（4）,b = 8.8544（5）,c = 12.4726（8） ,β = 92.8520（10）°,Z = 2,V = 826.58（8） 3,Dc = 1.352 g/cm3,Mr = 336.38,λ（MoKα） = 0.71073 ,μ = 0.084 mm-1,F（000） = 352,R = 0.0381 and wR = *** dihedral angle between anthracene skeleton and phenyl ring is 64.19°.A total of 6354 unique reflections were collected,of which 3172 with I 〉 2σ（I） were observed.X-ray analysis indicated an offset face-to-face π-π stacking interaction between anthracene skeletons and an offset face-to-face π-π stacking interaction between phenyl ring *** novel compound molecules are connected through the offset face-to-face π-π stacking interactions to generate a three-dimensional *** preliminary bioassay results showed that the novel compound exhibited significant insect growth inhibitory activity against Spodoptera litura Fabricius larvae.

关键词： 1 3 4-oxadiazole crystal structure synthesis biological activity

Insulin-like growth factor binding protein related protein 1 knockdown attenuates hepatic ?brosis via the regulation of MMPs/TIMPs in mice

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Hepatobiliary & Pancreatic Diseases International 2019年第1期18卷 38-47页

作者： Jun-Jie Ren Ting-Juan Huang Qian-Qian Zhang Hai-Yan Zhang Xiao-Hong Guo Hui-Qin Fan Ren-Ke Li Li-Xin Liu Department of Gastroenterology and Hepatology The First Clinical Hospital of Shanxi Medical University Experimental Center of Science and Research The First Clinical Hospital of Shanxi Medical University Key Laboratory of Cell Physiology Department of the Ministry of Education Shanxi Medical University Division of Cardiovascular Surgery Toronto General Research Institute University Health Network Division of Cardiac Surgery Department of Surgery University of Toronto

Background: Previous research suggested that insulin-like growth factor binding protein related protein 1(IGFBPrP1), as a novel mediator, contributes to hepatic fibrogenesis. Matrix metalloproteinases(MMP) and tissue inhibitors of metalloproteinases(TIMP) play an essential role in hepatic fibrogenesis by regulating homeostasis and remodeling of the extracellular matrix(ECM). However, the interaction between IGFBPrP1 and MMP/TIMP is not clear. The present study was to knockdown IGFBPrP1 to investigate the correlation between IGFBPrP1 and MMP/TIMP in hepatic fibrosis. Methods: Hepatic fibrosis was induced by thioacetamide(TAA) in mice. Knockdown of IGFBPrP1 expression by ultrasound-targeted microbubble destruction-mediated CMB-shRNA-IGFBPrP1 delivery, or inhibition of the Hedgehog(Hh) pathway by cyclopamine treatment, was performed in TAA-induced liver fibrosis mice. Hepatic fibrosis was determined by hematoxylin and eosin and Sirius red staining. Hepatic expression of IGFBPrP1, α-smooth muscle actin( α-SMA), transforming growth factor β 1(TGF β1), collagen I, MMPs/TIMPs, Sonic Hedgehog(Shh), and glioblastoma family transcription factors(Gli1) were investigated by immunohistochemical staining and Western blotting analysis. Results: We found that hepatic expression of IGFBPrP1, TGF β1, α-SMA, and collagen I were increased longitudinally in mice with TAA-induced hepatic fibrosis, concomitant with MMP2/TIMP2 and MMP9/TIMP1 imbalance and Hh pathway activation. Knockdown of IGFBPrP1 expression, or inhibition of the Hh pathway, reduced the hepatic expression of IGFBPrP1, TGF β1, α-SMA, and collagen I and re-established MMP2/TIMP2 and MMP9/TIMP1 balance. Conclusions: Our findings suggest that IGFBPrP1 knockdown attenuates liver fibrosis by re-establishing MMP2/TIMP2 and MMP9/TIMP1 balance, concomitant with the inhibition of hepatic stellate cell activation, down-regulation of TGF β1 expression, and degradation of the ECM. Furthermore, the Hh pathway mediates IGFBPrP1 knockdo

关键词： Hepatic fibrosis Insulin-like growth factor binding protein related protein 1 Matrix metalloproteinase Tissue inhibitor of metalloproteinase Ultrasound-targeted microbubble destruction Hedgehog signaling pathway

Synthesis and gas permeation properties of silicalite-1 zeolite membrane

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Science China Chemistry 1998年第3期41卷 325-330页

作者：徐晓春程谟杰杨维慎林励吾 State Key Laboratory of Catalysis Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian China

Silicalite-1/ceramic composite membrane was prepared on the outer surface of the α-Al2O3 tubular support byin-situ hydrothermal synthesis. The membrane was characterized by X-ray diffraction (XRD) and scanning electron microscope (SEM). The pure gas permeances of H2, N2, Ar, CH4, C2H4, C2H6, C3H8, n-C4H10 and i-C4H10 were measured as a function of the pressure difference at 298 and 473 K. The permeances of H2, N2 and Ar showed little dependence on the pressure differences; the permselectivities of H2/i-C4H10 were 249 and 36.2 at 298 and 473 K respectively, which is a characteristic of molecular transport in silicalite-1 channels. The permeances of light alkanes decreased in the following order: CH4>C2H6>C3H8>n-C4H10>i-C4H10. The permselectivity of n-C4H10/i-C4H10 was above 15 at 298 K. As the temperature increased, the permeances of all gases increased except those of N2 and Ar, and a significant increment was found for alkanes. The permselectivity ofn-C4H10/i-C4H10 decreased to about 9 at 473 K. The gas permeation results showed that the silicalite-1/ceramic composite membrane was defect-free.

关键词： zeolite membrane silicalite 1 hydrothermal synthesis gas separation.

Ligustilide protects PC12 cells from oxygen-glucose deprivation/reoxygenation-induced apoptosis via the LKB1-AMPK-mTOR signaling pathway

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Neural Regeneration Research 2020年第3期15卷 473-481页

作者： Dan-Yang Zhao Dong-Dong Yu Li Ren Guo-Rong Bi Shengjing Hospital of China Medical University ShenyangLiaoning ProvinceChina The First People’s Hospital of Shenyang ShenyangLiaoning ProvinceChina The First Affiliated Hospital of Liaoning University of Traditional Chinese Medicine ShenyangLiaoning ProvinceChina

Autophagy has been shown to have a protective effect against brain ***(LIG)is a bioactive substance isolated from Ligusticum chuanxiong,a traditional Chinese *** has a neuroprotective effect;however,it is unclear whether this neuroprotective effect involves *** this study,PC12 cells were treated with 1×10^-5–1×10^-9 M LIG for 0,3,12 or 24 hours,and cell proliferation was evaluated using the 3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium(MTS)*** with 1×10^-6 M LIG for 3 hours had the greatest effect on cell proliferation,and was therefore used for subsequent ***12 cells were pre-treated with 1×10^-6 M LIG for 3 hours,cultured in 95%N2/5%CO2 in Dulbecco’s modified Eagle’s medium without glucose or serum for 4 hours,and then cultured normally for 16 hours,to simulate oxygen-glucose deprivation/reoxygenation(OGD/R).Cell proliferation was assessed with the MTS *** was detected by flow *** expression levels of apoptosis-related proteins,Bcl-2 and Bax,autophagy-related proteins,Beclin 1 and microtubule-associated protein l light chain 3B(LC3-II),and liver kinase B1(LKB1)-5′-adenosine monophosphate-activated protein kinase(AMPK)-mammalian target of rapamycin(mTOR)signaling pathway-related proteins were assessed by western blot *** staining was used to detect LC3-II *** formation was observed by electron *** significantly decreased apoptosis,increased Bcl-2,Beclin 1 and LC3-II expression,decreased Bax expression,increased LC3-II immunoreactivity and the number of autophagosomes,and activated the LKB1-AMPK-mTOR signaling pathway in PC12 cells exposed to OGD/*** addition of the autophagy inhibitor 3-methyladenine or dorsomorphin before OGD/R attenuated the activation of the LKB1-AMPK-mTOR signaling pathway in cells treated with *** together,our findings show that LIG promotes autophagy and protects

关键词： AMPK apoptosis autophagy Bax Bcl-2 Beclin 1 LC3-II ligustilide mTOR PC12 cells

Two New Metal-organic Frameworks Constructed from 3,4,5-Substituted-1,2,4-Triazole Ligands

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Chinese Journal of Structural Chemistry 2013年第9期32卷 1415-1421页

作者：陈水生乔瑞杨松凡素华 College of Chemistry & Chemical Engineering Fuyang Normal College Anhui Provincial Key Laboratory for Degradation and Monitoring of Pollution of the Environment

Two new complexes,[Zn（L1）2（SCN）2]·H2O（1,L1 = 3,5-dimethyl-4-p-tolyl-4H1,2,4-triazole and [Cd3（L2）6（SCN）6]（2,L2 = 3,5-dimethyl-4-phenyl-4H-1,2,4-triazole）,have been hydrothermally prepared and characterized by single-crystal X-ray diffraction,IR spectroscopy,elemental analysis and *** 1 crystallizes in monoclinic,space group P21 /n with a = 11.246（13）,b = 9.640（11）,c = 26.13（3）,β = 100.97（3）,V = 1108.5（3） 3,Z = 4,C24 H28 N8 OS2 Zn,Mr = 572.02,Dc = 1.366 g/cm3,μ = 1.065 mm-1,S = 0.992,F（000） = 1184,the final R = 0.0602 and wR = 0.1700 for 2925 observed reflections（I 2σ（I））.Complex 2 crystallizes in triclinic,space group P1 with a = 11.6669（3）,b = 12.0957（2）,c = 14.3674（3）,α = 105.380（3）,β = 91.020（2）,γ = 92.4100（10）o,V = 1952.30（7）3,Z = 1,C66H66N24S6Cd3,Mr = 1725.08,Dc = 1.467 g/cm3,μ = 1.025 mm-1,S = 1.037,F（000） = 870,the final R = 0.0336 and wR = 0.0946 for 7819 observed reflections（I 2σ（I））.In the title complexes,complex 1 is a mononuclear molecule where the centre Zn（II） coordinates to two 3,4,5-substituted 1,2,4-triazole ligands（L1） and two terminal SCN-anions in a tetrahedral environment while six-coordinated centre Cd（II） atoms with octahedral geometry in complex 2 are bridged by virtue of substituted 1,2,4-triazole（L2） in N1,N2-bridging mode and μ2-N,N-SCN-anions into a trinuclear molecule.

关键词： synthesis 1 2 4-triazole metal-organic framework crystal structure

Syntheses, Crystal Structures, and Properties of Two Mixed-ligand Coordination Polymers: [Zn(bdc)(1,3-bimb)]_n and {[Mn_2(ox)_2(1,3,5-tib)_(4/3)]·4H_2O}_n

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Chinese Journal of Structural Chemistry 2013年第9期32卷 1422-1430页

作者：石聪文高燕柳若芍范黎明张伟丁元帅张修堂 Advanced Material Institute of Research College of Chemistry and Chemical Engineering Qilu Normal University

Two new coordination polymers,[Zn（bdc）（1,3-bimb）]n（1） and {[Mn2（ox）2（1,3,5tib）4/3]·4H2O}n（2）（H2ox = oxalic acid,H2bdc = terephthalic acid,1,3-bimb = 1,3-bis（imidazol-1ylmethyl）benzene,1,3,5-tib = 1,3,5-tri（imidazol-1-yl）benzene）,were synthesized and characterized by elemental analysis,IR,powder X-ray diffraction（PXRD）,and thermogravimetric（TG） analyses.X-ray diffracation analysis reveals that two kinds of zigzag chains [Zn（bdc）]n and [Zn（1,3-bimb）]n in compound 1 are interweaved to form a 3D 4-fold interpenetrated 66-dia *** compound 2,Mn（1） and Mn（2） are linked via 1,3,5-tib ligands to form two different nets of [Mn6（1,3,5-tib）6 ]n along the ab plane with inner-or outer-shape N–Mn–N angles,which are connected by 1D infinite [Mn2（ox）2 ]n chains via Mn–O bonds to result in a（3,3,3,4,4）-connected（4·8·10）3（4·82）3（4·83·102）6（82·104·3）3（83）4 ***,the photoluminescence of 1 has been *** crystal of 1 crystallizes in orthorhombic,space group Pna2 with a = 13.2267（6）,b = 9.1717（4）,c = 17.4492（8）,V = 2116.79（16）3,Z = 4,C22 H18N4O4 Zn,Mr = 467.77,Dc = 1.468 g/cm3,F（000） = 960 and μ（MoKα） = 1.197 *** final R = 0.0280 and wR = 0.0618 for 3695 observed reflections with I 2（I） and R = 0.0389 and wR = 0.0653 for all *** crystal of 2 crystallizes in rhombohedral,space group R-3 with a = 22.080（8）,c = 31.19（2）,V = 13167（11） 3,Z = 18,C24 H25 Mn2 N8 O13,Mr = 743.40,Dc = 1.688 g/cm3,F（000） = 6822 and μ（MoKα） = 0.945 *** final R = 0.0429 and wR = 0.1035 for 5160 observed reflections with I 2（I） and R = 0.0824 and wR = 0.1244 for all data.

关键词： terephthalic acid oxalic acid 1 3-bis(imidazol-1-ylmethyl)benzene 1 3 5-tri(imidazol-1-yl)benzene luminescence

Synthesis of Functionalized 1-Benzamido-1,4-dihydropyridines via a One-Pot Two-Step Four-Component Reaction

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Chinese Journal of Chemistry 2014年第11期32卷 1143-1150页

作者： Jing Sun Guoliang Shen Yajing Xie Chaoguo Yan College of Chemistry&Chemical Engineering Yangzhou UniversityYangzhouJiangsu 225002China

The one-pot four-component reaction of benzohydrazide,acetylenedicarboxylate,aromatic aldehydes and malononitrile in ethanol with triethylamine as base catalyst afforded functionalized 1-benzamido-1,4-dihydropyridines in satisfactory *** similar conditions,picolinohydrazide or nicotinohydrazide can also be successfully utilized in the reactions to give corresponding functionalized 1,4-dihydropyridines.1H NMR data indicated that an equilibrium of cis/trans-conformations exist in 1-benzamido-1,4-dihydropyridines.

关键词： one-pot reaction multicomponent reaction 1 4-dihydropyridine benzohydrazide electron-deficient alkyne