Synthesis,crystal structures and anticancer activities of two decavanadate compounds

Two ammonium decavanadate(V) compounds, (H₂tmen)₃V₁₀O₂₈·6H₂O (1) and (H₂en)₃V₁₀O₂₈·2H₂O (2), where H₂tmen and H₂en represent the doubly protonated N,N,N′,N′-tetramethylethylenediammonium ion and doubly protonated ethylenediammonium ion, respectively, have been synthesized and structurally characterized by elemental analyses, spectroscopic (i.r., e.s.r.) studies, and single-crystal X-ray diffraction. Both crystal structures reveal the presence of the [V₁₀O₂₈]⁶⁻ cluster anions, doubly protonated diammonium cations, and lattice water molecules. Hydrogen bonds assemble these two compounds to form three-dimensional networks. The in vitro anticancer activity against A549 and P388 tumor cells lines has also been determined by the MTT-based assay, and the results suggest that both compounds can inhibit proliferation of these two kinds of tumor cells.     

Large-scale annotation of small-molecule libraries using public databases

While many large publicly accessible databases provide excellent annotation for biological macromolecules, the same is not true for small chemical compounds. Commercial data sources also fail to encompass an annotation interface for large numbers of compounds and tend to be cost prohibitive to be widely available to biomedical researchers. Therefore, using annotation information for the selection of lead compounds from a modern day high-throughput screening (HTS) campaign presently occurs only under a very limited scale. The recent rapid expansion of the NIH PubChem database provides an opportunity to link existing biological databases with compound catalogs and provides relevant information that potentially could improve the information garnered from large-scale screening efforts. Using the 2.5 million compound collection at the Genomics Institute of the Novartis Research Foundation (GNF) as a model, we determined that approximately 4% of the library contained compounds with potential annotation in such databases as PubChem and the World Drug Index (WDI) as well as related databases such as the Kyoto Encyclopedia of Genes and Genomes (KEGG) and ChemIDplus. Furthermore, the exact structure match analysis showed 32% of GNF compounds can be linked to third party databases via PubChem. We also showed annotations such as MeSH (medical subject headings) terms can be applied to in-house HTS databases in identifying signature biological inhibition profiles of interest as well as expediting the assay validation process. The automated annotation of thousands of screening hits in batch is becoming feasible and has the potential to play an essential role in the hit-to-lead decision making process.     

Effect of peripheral hydrophobic alkoxy substitution on the organic field effect transistor performance of amphiphilic tris(phthalocyaninato) europium triple-decker complexes

A series of four amphiphilic heteroleptic tris(phthalocyaninato) europium complexes with different lengths of hydrophobic alkoxy substituents on one outer phthalocyanine ligand [Pc(15C5)4]Eu[Pc(15C5)4]Eu[Pc(OCnH(2n+1))8] (n = 4, 6, 10,12) (1, 2, 4, and 5) was designed and prepared. Their film forming and organic field effect transistor properties have been systematically studied in comparison with analogous [Pc(15C5)4]Eu[Pc(15C5)4]Eu[Pc(OC8H17)8] (3). Experimental results showed that all these typical amphiphilic sandwich triple-decker molecules have been fabricated into highly ordered films by the Langmuir-Blodgett (LB) technique, which displays carrier mobility in the direction parallel to the aromatic phthalocyanine rings in the range of 0.0032-0.60 cm2 V(-1) s(-1) depending on the length of the hydrophobic alkoxy substituents. This is rationalized on the basis of comparative morphology analysis results of the LB films by the atomic force microscopy technique.     

Synthesis of cell-penetrated nitrogen-doped carbon dots by hydrothermal treatment of eggplant sepals

Novel nitrogen doped carbon quantum dots were successfully fabricated by a hydrothermal method with eggplant sepals as carbon source. The carbon materials were characterized by transmission electron microscopy (TEM), UV-Vis adsorption, Fourier-transformed infrared spectroscopy (FTIR), fluorescence and the X-ray photoelectron spectroscopy (XPS) measurements, respectively. The carbon quantum dots showed excellent photoluminescence property with high stability in phosphate buffer solution with different pH values from 5 to 9, even in the cell culture medium supplied with the fetal bovine serum. Meanwhile, we also studied the interaction of carbon quantum dots with living HeLa cells with confocal microscopy. Our results indicated that the carbon quantum dots can enter the living HeLa cells by cellular penetration.     

Electropolishing of titanium alloy under hydrodynamic mode

Titanium (Ti) alloys are widely used in aerospace industry due to the low density and high corrosion resistance. However, machining and polishing remain great challenges because of the hardness and chemical stability. With a home-made electrochemical machining workstation, cyclic voltammetry is performed at a wide potential range of [0 V, 20 V] to record the details of passivation and depassivation processes under a hydrodynamic mode. The results show that the thickness of viscous layer formed on the alloy surface plays a crucial effect on the electropolishing quality. The technical parameters, including the mechanical motion rate, polishing time and electrode gap, are optimized to achieve a surface roughness less than 1.9 nm, which shows a prospective application in the electrochemical machining of Ti and it alloys.     

Advances in theoretical study on transition-metal-catalyzed C−H activation

Transition-metal-catalyzed C–H activation represents one of most attractive research fields in modern organic chemistry while theoretical studies have become a popular and effective tool for elucidating mechanism nowadays. The recent achievements in the cross field of the two orientations are reviewed in this article. The first part introduced the advances in theoretical study on transition-metal-catalyzed C–H activation. The elegant work reported mainly in and after 2013, classified according to the mechanisms of C–H activation, were covered. The second part provided an analysis on the distribution of quantum-chemical methods, solvation models and basis sets in the collected theoretical studies.     

Efficient solar photocatalyst based on Ag<Subscript>3</Subscript>PO<Subscript>4</Subscript>/graphene nanosheets composite for photocatalytic decolorization of dye pollutants

Silver orthophosphate-graphene nanosheets composite (Ag₃PO₄-GNs) has been fabricated using a facile hydrothermal method. The Ag₃PO₄-GNs were characterized using XRD, UV–vis DRS and SEM. The photocatalytic activity of Ag₃PO₄-GNs was evaluated by photocatalytic decolorization of dye aqueous solutions under simulated solar light irradiation. It was observed that Ag₃PO₄ nanoparticles in Ag₃PO₄-GNs were attached on the surface of graphene nanosheets.The introduction of graphene nanosheets enhanced remarkably the visible light absorption region of Ag₃PO₄-GNs compared with bare Ag₃PO₄. The photocatalytic activity of Ag₃PO₄-GNs is nearly twice as high as that of the pure Ag₃PO₄. The removal efficiency can reach more than 90 % by Ag₃PO₄-GNs under simulated solar light irradiation within 25 min, which might mainly be attributed to high adsorption capacity, extended light absorption range and efficient charge separation. After irradiation for 60 min, 84.70 % TOC mineralization was achieved by Ag₃PO₄-GNs. Based on the results of detection of active species, the direct oxidization of dye pollutants in aqueous solution by holes takes a major role in the whole decolorization process by Ag₃PO₄-GNs. As a result, Ag₃PO₄-GNs with the high photocatalytic activity are proven to be an excellent light photocatalyst for potentially scalable removal of dyes in aqueous solutions and other environmental remediation under simulated solar light irradiation.     

Synthesis and catalytic activity to Li/SOCl<Subscript>2</Subscript> battery of asymmetric and symmetric binuclear metal phthalocyanines

In our present work, the asymmetric and symmetric binuclear metal phthalocyanines (M₂(PcTN)₂ and M₂(PcTN)₂S), battery catalysts, were synthesized through microwave reaction and characterized by EA, IR and UV-vis spectroscopy. Their catalytic activity in the Li/SOCl₂ battery was evaluated by adding right amount catalysts into the electrolyte. The results indicated that the capacity of the catalyzed battery increased by 6.74–67.26% and 13.41–84.36%, and the energy increased by 9.29–65.72% and 14.77–88.15% respectively, compared with the battery without phthalocyanines.