Synthesis and Mesomorphic Properties of New Columnar Liquid Crystal Containing 1,3,5-triiminebenzene with Pendant 1,3,4-thiadiazole Group

A novel discotic liquid crystal series based on 1,3,5-benzenetrisazomethine derivatives with three pendant 2-amino-5-(4′-n-alkoxy)phenyl-1,3,4-thiadiazole has been synthesized, which is the first columnar molecules containing 1,3,4-thiadiazole moiety exhibiting a discotic liquid crystal. The molecular structure of compounds was confirmed by FT-IR, ¹H-NMR, and mass spectroscopy and elemental analysis. The electron excitation properties of these compounds were investigated by UV-vis absorption spectroscopy. Their liquid crystalline properties were studied by polarizing optical microscopy and differential scanning calorimetry. The formation of a columnar mesophase was found to be dependent on the number of methylene unit in alkoxy side chains.     

从可溶性单源分子前驱体采用溶胶凝胶法制备ZnO/TiO2 纳米复合物

合成了单源分子前驱体Cl₂TiZn(dmae)₄ (dmae为2-二甲基乙醇胺),并以乙醇为溶剂,加入等摩尔量的水对其进行可控水解得ZnO/TiO₂纳米复合凝胶,经pH=9沉淀,在200、400和600 oC 烧结得到不同的产物T₂₀₀、T₄₀₀、T₆₀₀. XRD分析表明未烧结产物为无定形粉末并随着烧结温度升高晶型改善. ZnO呈纤锌矿结构(六方晶系),TiO₂呈板钛矿型结构(正交). BET分析和扫描电镜表明颗粒的大小随着烧结温度的提高而增加. 红外光谱证明Zn-O和Ti-O的特有的振动频率,OH基团烧结后的产物中被去掉. 所有的样品都显示良好的光催化活性, 且T₆₀₀活性最高.     

Quasi solid state dye-sensitized solar cells based on polyvinyl alcohol (PVA) electrolytes containing \mathbf{I}^{\mathbf{-}}/\mathbf{I}_{\mathbf{3}}^{\mathbf{-}} redox couple

Quasi solid state dye-sensitized solar cells (DSSCs) have been fabricated with electrolytes containing $\text{ I }^{-}/\text{ I }_{3}^{-}$ redox couple using 80 % hydrolyzed polyvinyl alcohol (PVA) doped with potassium iodide (KI) and a mixture of potassium iodide and tetrapropyl ammonium iodide ( $\text{ Pr }_{4}\text{ NI }$ ) salts. The quasi solid state gel polymer electrolytes were prepared using 1:1 ethylene carbonate (EC):propylene carbonate (PC) mixture. The solar cells have the structure of ITO/ $\text{ TiO }_{2}$ /N3-Dye/electrolyte/Pt/ITO. The conductivity of the electrolytes has been calculated from the bulk resistance value determined using the electrochemical impedance spectroscopy. The performance of the DSSCs has been studied by varying the concentration of the doping salts in the electrolyte and incident light intensity. The DSSC fabricated with the KI salt electrolyte containing 9.9 wt% PVA, 39.6 wt% EC, 39.6 wt% PC, 10.9 wt% KI $(+\text{ I }_{2})$ exhibited the best power conversion efficiency of 1.97 %. However, the DSSC with a double-salt electrolyte containing 9.9 wt% PVA: 39.6 wt% EC: 39.6 wt% PC: (6.5 wt% KI: 4.4 wt% $\text{ Pr }_{4}\text{ NI }$ ) ( $+\text{ I }_{2}$ ) exhibited a higher efficiency of 3.27% under $100 \text{ mW/cm }^{2}$ light intensity. The efficiency of this cell increased to 4.59 % under dimmer light of intensity of $54 \text{ mW/cm }^{2}$ .     

Synthesis,Crystal Structure and Antimicrobial Activity of Ethyl 2-（1-cyclohexyl-4-phenyl-1H-1,2,3-triazol-5-yl）-2-oxoacetate

A novel 1,4,5-trisubstituted 1,2,3-triazole(C18H21N3O3) was synthesized by a one-pot three component reaction of 1-azidocyclohexane, 1-copper(I) phenylethyne and ethoxalyl chloride at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P21/n with a = 12.8167(9), b = 8.0966(6), c = 16.7079(9) , β = 98.716(2)o, Z = 4 and V = 1713.8(2). In the crystal, the molecules are related by inversion and paired into dimers via C–H···O and C–O···C interactions involving(oxo) acetate groups. Furthermore, X-ray analysis results are compared with the optimized structure computed by using B3 LYP method with 6-311 G basis set. The calculated results showed that optimized geometry can well reproduce the crystal structure parameters. The bioassay results indicate that the compound has good antibacterial and antifungal activities.     

Kinetics and mechanism of the redox reaction between malachite green and iron(III) in aqueous and micellar media

The kinetics of the oxidation of malachite green (MG⁺) by Fe(III) were investigated spectrophotometrically by monitoring the absorbance change at 618 nm in aqueous and micellar media at a temperature range 20–40 °C; I = 0.10 mol dm^?3 for [H⁺] range (2.50–15.00) × 10^?4 mol dm^?3. The rate of reaction increases with increasing [H⁺]. The reaction was carried out under pseudo-first-order conditions by taking the [Fe(III)] (>10-fold) the [MG⁺]. A mechanism of the reaction between malachite green and Fe(III) is proposed, and the rate equation derived from the mechanism was consistent with the experimental rate law as follows: Rate = (k ₄ + K ₁ k ₅[H⁺]) [MG⁺][Fe(III)]. The effect of surfactants, such as cetyltrimethylammonium bromide (CTAB, a cationic surfactant) and sodium dodecylsulfate (SDS, an anionic surfactant), on the reaction rate has been studied. CTAB has no effect on the rate of reaction while SDS inhibits it. Also, the effect of ligands on the reaction rate has been investigated. It is proposed that electron transfer proceeds through an outer-sphere mechanism. The enthalpy and the entropy of the activation were calculated using the transition state theory equation.     

Chalcanthrene-fullerene complexes: A theoretical study

In this work we have considered a series of 10 chalcanthrenes-fullerene complexes that were studied by the BLYP density functional theory (DFT) approach. A complete series of chalcanthrenes (C₁₂H₈XY, in which X, Y = O, S, Se, Te) where computed in several combinations in order to demonstrate the effect of structural changes on the electronic properties of the complexes under consideration. The optimized geometries, dissociation energies, and vibrational spectra of the chalcanthrenes-fullerene complexes are reported.     

Electrospun nanofibers for drug delivery applications: Methods and mechanism

Electrospinning procedures such as blend electrospinning, coaxial electrospinning, and emulsion electrospinning have been used for the fabrication of electrospun nanofibers (ENFs) for biomedical applications. These ENFs are attracted great interest especially in drug delivery applications due to their small size, high surface area-to-volume, and porosity. The aim of this review is to focus on the controlled release mechanism among the different electrospinning methods, and the selectivity of hydrophilic, water-soluble polymers as a carrier for drug. The mechanism for the drug delivery depends mainly on the method of drug loading, polymeric interactions, and the nature of polymer swelling, erosion, or degradation. This review compressed on the literature survey about the fabrication of nanofibers by different electrospinning methods, factors affecting the nanofiber morphologies, selectivity of polymeric blends for successful controlled release behavior, and the mechanism involved in the drug release steps.     

Design, synthesis and structural studies of meta-xylyl linked bis-benzimidazolium salts: Potential anticancer agents against 'human colon cancer'

ABSTRACT: BACKGROUND: Benzimidazole derivatives are structurally bioisosteres of naturally occurring nucleotides, which makes them compatible with biopolymers of living systems. This property gives benzimidazole a biological and clinical importance. In the last decade, this class of compounds has been reported to possess anti-allergic, anti-diabatic, anti-HIV, anti-hypertensive, anti-inflammatory, anti-mycobacterial, anti-oxidant, anti-protozoal, and anti-viral properties. The researchers are now interested to explore their potential as anti-cancer agents. In the present study, an effort was made to further explore this area of research. Furthermore, in order to increase the solubility and efficacy of these heterocycles, the interest is now shifted to the salts of these compounds. With this background, we planned to synthesize a series of meta-xylyl linked bis-benzimidazolium salts to assess their anti-proliferation efficacy on human colon cancer cell line (HCT 116). RESULTS: A number of N-alkylbenzimidazoles were synthesized by reactions of benzimidazole with alkyl halides (i-PrBr, PrBr, EthBr, Pent-2-ylBr, BuBr, BenzCl, HeptBr). The subsequent treatment of the resulting N-alkylbenzimidazoles with 1,3-(bromomethylene)benzene afforded corresponding bis-benzimidazolium salts. All synthesized compounds were characterized by spectroscopic techniques (Additional file 1: NMR & FT-IR) and microanalysis. Molecular structures of selected compounds were established through single crystal x-ray diffraction studies. All the compounds were assessed for their anti-proliferation test on human colorectal cancer cell line (HCT 116). Results showed that the compounds exhibited dose dependent cytotoxicity towards the colon cancer cells with IC50 ranges between 0.1 to 17.6 muM. The anti-proliferation activity of all compounds was more pronounced than that of standard reference drug 5-flourouracil (IC50 =19.2 muM). CONCLUSIONS: All the synthesized bis-benzimidazolium salts showed potential anticancer activity. Out of them, some of these salts showed IC50 value as low as 0.1-0.2 muM. Based on the results it can be concluded that, the bis-benzimidazolium salts could probably be the potential source of chemotherapeutic drugs.