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Structural elucidation, theoretical investigation using DFT calculations,thermal and dielectric analyses of new zinc(Ⅱ) based inorganic–organic hybrid

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Chinese Chemical Letters 2017年第3期28卷 642-650页

作者： Nejla Chihaoui besma hamdi Ridha Zouari Faculty of Sciences of Sfax Laboratory of Materials Science and Environment Department of Chemistry University of Sfax BPN 1171 3000 Sfax Tunisia

A novel interesting d^（10） metal hybrid, [1,2-C_6H_（10）（NH_3）_2]ZnCl_4; 1,2-diammoniumcyclohexane tetrachlorozincate（II） was grown, structurally characterized and their vibrational as well as thermal and dielectric proprieties were studied. A preliminary single crystal X-ray diffraction structural analysis has revealed that the latter crystallizes in the monoclinic system（space group C2/c）. Its unit cell dimensions are a = 32.394（9）？, b = 12.217（4）？, c = 10.175（3）？, β = 97.852（13）° with Z = 12 and the refinement converged to R = 0.034 and ωR = 0.065. Hirshfeld surface analyses, especially d_（norm）surface and fingerprint plots were used for decoding intermolecular interactions in the crystal network. The optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of the present compound were theoretically examined by the DFT/B3 LYP method with the Lan L2 DZ basis set. The thermal and dielectric analyses suggested the presence of ferroelectric phase transition at 314 K.

关键词： d^（10） metal hybrid Chlorozincate（Ⅱ） Crystal structure DFT/B3LYP/Lan L2DZ FT-IR Raman scattering Dielectric analyses

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A New Non-centrosymmetric Microporous Fluorinated Iron Phosphate： Structural Elucidation, Spectroscopic Study and Hirshfeld Surface Analysis

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Chemical Research in Chinese Universities 2016年第4期32卷 519-526页

作者： Nabaa BOUZIDIA besma hamdi Abdelhamid BEN SALAH Laboratory of Materials Science and Environment Faculty of Sciences of Sfax University of Sfax PB 1171 3000 SFAX Tunisia

The crystal structure of a new non-centrosymmetric microporous fluorinated iron phosphate, （H30）2[Fe4（H2O）2F4（PO4）2（HPO4）2]（H2O）, was determined by single crystal X-ray diffraction analysis and the result reveals that it belongs to the orthorhombic system with four molecules in the unit cell（space group P212121）. Thus, the complex was characterized by powder X-ray diffraction, spectroscopic techniques（Fourier transform infrared and Fourier transform Raman） and 19F MAS NMR. The elemental analysis of the sample was also carried out. The chiral inorganic sheets, which stacked along [100] showed the presence of FeF2O4 as well as FeF2O3H2O octahedra, PO4 besides HPO4 tetrahedra, hydronium ions（H3O＋） and isolated water molecules. Hirshfeld surface analysis, especially dnom surface and fingerprint plots, were used for decoding the intermolecular interactions in the crystal network and the contribution of component units for the construction of the 3D architecture. From the Hirshfeld surfaces and 2D fingerprint analysis, it was found that the subtle interactions, such as H...H associating the third intense interaction of all intercontacts, provide extra stabilization in addition to the presence of the strong hydrogen bonds mentioned above.

关键词： Non-centrosymmetric structure Iron fluorinated phosphate Hirshfeld surface analysis

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Antifungal,molluscicidal and larvicidal assessment of anemonin and Clematis flammula L.extracts against mollusc Galba truncatula,intermediate host of Fasciola hepatica in Tunisia

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Asian Pacific Journal of Tropical Medicine 2017年第10期10卷 967-973页

作者： Rakia Saidi Lamia Khanous Safa Khadim Allah besma hamdi Ali Ayadi Mohamed Damak Hayet Hammami Raoudha Mezghani-Jarraya Laboratory of Organic Chemistry LR17ES08(Natural Substances Team) University of SfaxFaculty of Sciences3000 SfaxTunisia Laboratory of Plant Biotechnology Applied to Crop Improvement University of Sfax Faculty of SciencesBP 11713000 SfaxTunisia Fungal and Parasitic Molecular Biology Laboratory University of SfaxFaculty of Medicine3029 SfaxTunisia Laboratory of Materials and Environment Sciences Faculty of Science of SfaxBP 11713000 SfaxTunisia

Objective: To investigate the potential of anemonin and Clematis flammula(C.flammula) extracts against infective organisms.Methods: The molluscicidal activities of anemonin and C.flammula extracts against Galba truncatula Mull.(Lymnaeidae) and Fasciola hepatica larval stages contaminating this snail in Tunisia were assessed by testing six groups of snails in 250 mL of extracts and aqueous dechlorinated solutions with different concentrations(ranging from 2.5 to 20.0 mg/L) for 48 h.Besides, the antifungal potential of C.flammula leaves and flowers was evaluated by using the diffusion agar and broth dilution methods against four fungal strains: Aspergillus niger, Pythium catenulatum, Rhizoctonia solani and Fusarium phyllophilum.Results: As a result, hexane and ethyl acetate flower extracts exhibited significant molluscicidal activities with LC_(50) median lethal concentrations values of 11.87 and 11.65 mg/L, respectively while LC_(50) value of anemonin was 9.64 mg/L after 48 h exposure.The flower extracts showed a larvicidal effect with a deterioration rate exceeding 35.39% where flower ethyl acetate residue gave a deterioration rate of cercariae close to 97%.Moreover, C.flammula extracts were not noxious to the associated fauna survival.All extracts inhibited the growth of P.catenulatum, the leaves and flowers methanolic extracts had the more important fungicide action with minimum inhibitory concentrations of 1.56 and 3.12 mg/mL together with minimum fungistatic concentrations of 3.12 and 6.25 mg/mL respectively.Only flower extracts were active against Rhizoctonia solani with minimum inhibitory concentrations varying between 0.70 and 1.56 mg/mL and 6.25 mg/mL of minimum fungistatic concentration.Phytochemical tests showed that the antifungal activity may be attributed to the presence of the flavonoids/saponins in the methanolic extracts and the molluscicide effects could be due to the richness of hexane and ethyl acetate extracts on sterols and triterpenoids.Conclusions: This study emphasizes the important mollus

关键词： Larvicidal 抗真菌 Galba truncatula 小束地钱属的植物铁线莲 flammula Anemonin

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