Publications 2016

Scientific Publications of the CINN in 2016

25

Apr 2016

Diastereoselective Synthesis of Novel Benzofuran Derivatives by Euparin as a Natural Compound with DMAD in the Presence of Trialkyl Phosphite

Posted by / in Latest CINN Publications, Publications 2016, Publications Multifunctional Nanocomposites 2016, Publications: Multifunctional Nanomaterials & Nanocomposites / No comments yet

An efficient, simple, and diastereoselective synthesis of novel benzofuran phosphonato ester derivatives has been achieved via a one-pot three-component reaction of euparin as a natural product, trialkyl phosphate, and dimethyl acetylenedicarboxylate (DMAD) in diethyl ether without using any catalyst at room temperature. NMR spectroscopic data and X-ray crystallography analysis are in agreement with the anti arrangement for the two vicinal protons in the structures, and only one diastereoisomer (2S,3R) or (2R,3S) was obtained for the products. The advantage of our research is that this is the first report for the diastereoselective synthesis of phosphonato ester derivatives from a green natural product. This one-pot reaction occurs in high yields with easy work-up under mild conditions. All pure products were obtained by recrystallization from ethanol, and there was no need for column chromatography.

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06

Apr 2016

Crystal structure of 2,2′-diamino-[1,1′-biphenyl]-4,4′-dicarboxylic acid dihydrate, C14H16N2O6

Posted by / in Latest CINN Publications, Publications 2016, Publications Multifunctional Nanocomposites 2016, Publications: Multifunctional Nanomaterials & Nanocomposites / No comments yet

C14H16N2O6, triclinic, P1̅ (no. 2), a = 10.0254(5) Å, b = 11.2726(6) Å, c = 13.4494(7) Å, α = 111.535(2)°, β = 92.068(2)°, γ= 102.644(2)°, V = 1368.16(13) Å3, Z = 4, Rgt(F) = 0.047, wRref(F2) = 0.133, T = 150 K.

crystal structure 2

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06

Apr 2016

Crystal structure of 5-(adamantan-1-yl)-3-[(4-chloroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C19H22ClN3OS

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C19H22ClN3OS, orthorhombic, P212121 (no. 19), a = 7.0418(2) Å, b = 10.8802(3) Å, c = 23.5506(6) Å, V = 1804.36(8) Å3,Z = 4, Rgt(F) = 0.0413, wRref(F2) = 0.1110, T = 100 K.

crystal structure 5

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06

Apr 2016

Crystal structure of 2-[(4-fluorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C16H16FN3OS

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C16H16FN3OS, triclinic, P1̅ (no. 2), a = 5.6885(3) Å, b = 9.4378(4) Å, c = 15.0736(7) Å, α = 84.037(4)°, β = 81.442(4)°, γ= 74.271(4)°, V = 768.56(7) Å3, Z = 2, Rgt(F) = 0.0518, wRref(F2) = 0.1430, T = 100 K.

GA_ZK

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06

Apr 2016

Effect of TiC addition on the mechanical behaviour of Al2O3–SiC whiskers composites obtained by SPS

Posted by / in Latest CINN Publications, Publications 2016, Publications Multifunctional Nanocomposites 2016, Publications: Multifunctional Nanomaterials & Nanocomposites / No comments yet

Large Al2O3–SiCw and Al2O3–SiCw–TiC composites disks (150 mm diameter) were prepared in this work by using the spark plasma sintering technique. The main physical and mechanical properties of these composites were measured in different disk zones in order to test out the homogeneity of the sintering process. It has been found that the incorporation of TiC as reinforcing phase to the Al2O3–SiCw composite, improved densification, mechanical strength and hardness. This result was analyzed in terms of SEM microstructure observations showing that the presence of TiC inhibited the alumina grain growth.

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06

Apr 2016

Tris(bipyridine)Metal(II)-templated assemblies of 3d alkali-ruthenium oxalate coordination frameworks: Crystal structures, characterization and photocatalytic activity in water reduction

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A series of 3D oxalate-bridged ruthenium-based coordination polymers with the formula of {[ZII(bpy)3][MIRu(C2O4)3]}n (ZII = Zn2+ (1), Cu2+ (3, 4), Ru2+ (5, 6), Os2+ (7, 8); MI = Li+, Na+; bpy = 2,2’-bipyridine) and {[ZnII(bpy)3](H2O)[LiRu(C2O4)3]}n (2) has been synthesized at room temperature through a self-assembly reaction in aqueous media and characterized by single-crystal and powder X-ray diffraction, elemental analysis, infrared and diffuse reflectance UV–Vis spectroscopy and thermogravimetric analysis. The crystal structures of all compounds comprise chiral 3D honeycomb-like polymeric nets of the srs-type, which possess triangular anionic cages where [ZII(bpy)3]2+ cationic templates are selectively embedded. Structural analysis reveals that the electronic configuration of the cationic guests is affected by electrostatic interaction with the anionic framework. Moreover, the MLCT bands gaps values for 1–8 can be tuned in a rational way by judicious choice of [ZII(bpy)3]2+ guests. The 3D host-guest polymeric architectures can be used as self-supported heterogeneous photocatalysts for the reductive splitting of water, exhibiting photocatalytic activity for the evolution of H2 under UV light irradiation.

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06

Apr 2016

Multifunctional ceramic-metal biocomposites with Zinc containing antimicrobial glass coatings

Posted by / in Latest CINN Publications, Publications 2016, Publications Multifunctional Nanocomposites 2016, Publications: Multifunctional Nanomaterials & Nanocomposites / No comments yet

A biocompatible glassy coating with a high antimicrobial activity (43 log of reduction) versus the gram-bacterium Escherichia coli has been obtained. The substrates are based on new zirconia ceramic matrix composites reinforced with biological tolerant metals (3Y-TZP/Ta and 3YTZP/Nb biocermets). Biocompatibility was studied using NIH-3T3-cells (mouse embryonic fibroblast) and 470% viability was found. These results open up the possibility of using these materials in large panoply in orthopaedics, dentistry and other hard tissue replacement applications where biofunctional, structural and antimicrobial properties are required.

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06

Apr 2016

Spark Plasma Sintered Si3N4/TiN Nanocomposites Obtained by a Colloidal Processing Route

Posted by / in Latest CINN Publications, Publications 2016, Publications Multifunctional Nanocomposites 2016, Publications: Multifunctional Nanomaterials & Nanocomposites / No comments yet

Ceramic Si3N4/TiN (22 vol%) nanocomposites have been obtained by Spark Plasma Sintering (SPS). Our colloidal processing route allows obtaining dispersed nanoparticles of TiN smaller than 50 nm avoiding the presence of agglomerates. The nanostructured starting powders were obtained by using a colloidal method where commercial Si3N4 submicrometer particles were coated with anatase TiO2 nanocrystals. A later nitridation process led to the formation of TiN nanoparticles on the surface of Si3N4. A second set of powders was prepared by doping the above defined powders with yttrium and aluminium precursors using also a colloidal method as sources of alumina and yttria. After thermal nitridation and SPS treatment, it has been found that the addition of oxides dopants improves the mechanical performance (KIC,σf) but increases the electrical resistivity and significantly reduces the hardness. This is due to the formation of a continuous insulating glassy phase that totally envelops the conductive TiN nanoparticles, avoiding the percolative contact between them. The combination of colloidal processing route and SPS allows the designing of tailor-made free glassy phase Si3N4/TiN nanocomposites with controlled microstructure. The microstructural features and the thermoelectrical and mechanical properties of both kinds of dense SPSed compacts are discussed in this work.

Microstructure by FESEM of dense Si3N4-TiN dwell 2-minute sample sintered at 1800ºC and 100MPa and the corresponding XRD pattern

Microstructure by FESEM of dense Si3N4-TiN dwell 2-minute sample sintered at 1800ºC and 100MPa and the corresponding XRD pattern

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06

Apr 2016

Synthesis, crystal structure, spectroscopic characterization and theoretical study of (2E)-N-phenyl-2-(pyridin-3-ylmethylidene)hydrazinecarboxamide

Posted by / in Latest CINN Publications, Publications 2016, Publications Multifunctional Nanocomposites 2016, Publications: Multifunctional Nanomaterials & Nanocomposites / No comments yet

In this work, the experimental and theoretical study of new semicarbazone have been reported. The new semicarbazone was synthesized and characterized by FT-IR, FT-Raman and NMR, and the crystal structure was determined by X-ray single-crystal diffraction. The crystallographic asymmetric unit was optimized using DFT method and compared with the experimental data. The experimental FT-IR and FT-Raman have been compared with calculated vibrational frequencies, using B3LYP/6-311*G(d,p). The stability and charge delocalization were studied by natural bond orbital (NBO) analysis as well as the molecular electrostatic potential (MEP). The 1H and 13C chemical shifts values have been calculated by the GIAO method. Non covalent interactions analysis in real space was done, based on the electron density and its derivates, it provides a rich representation of VdW interactions, hydrogen bonds, and the inter and intramolecular steric repulsions.

Graphical Abstract-Synthesis, crystal structure, spectroscopic characterization and theoretical study of (2E)-N-phenyl-2-(pyridin-3-ylmethylidene)hydrazinecarboxamide

Graphical Abstract

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06

Apr 2016

Formation of Structure in Hard-Alloy Coatings from Powders Under Passage of a Powerful Pulse of Electric Current

Posted by / in Latest CINN Publications, Publications 2016, Publications Multifunctional Nanocomposites 2016, Publications: Multifunctional Nanomaterials & Nanocomposites / No comments yet

A method of ultrafast deposition of hard-alloy coatings from powders upon passage of a powerful pulse of electric current is considered. The structure of the coatings obtained by the electric-pulse and standard processes is studied by metallographic, electron microscope and x-ray diffraction analyses. The physical, mechanical and cutting properties of the hard-alloy coatings are determined. The endurance of the cutting tools with hard-alloy coatings is estimated under the conditions of large-scale and pilot productions. The possibility of creation of tools with enhanced operating characteristics is demonstrated.

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