Erratum to: The catalytic effect of Al-KIT-5 and KIT-5-SO3H on the conversion of fructose to 5-hydroxymethylfurfural

Research on Chemical Intermediates -     

Effects of length and number of aromatic rings in carboxylic acid ligands on structure and optical properties of lead(II) coordination polymers

Research on Chemical Intermediates - To systematically examine the effects of the length and number of aromatic rings in carboxylic acid ligands on the structure and properties of lead(II)...     

Radio labeling,quality control and biodistribution of <Superscript>99m</Superscript>Tc-cefotaxime as an infection imaging agent

Cefotaxime, a cephalosporin antibiotic, used to treat bacterial infections was investigated to label with ^99mTc. Labeling was performed using sodium dithionite as a reducing agent at 100 °C for 10 min and radiochemical analysis involved ITLC and HPLC methods. The stability of labeled antibiotic was checked in the presence of human serum at 37 °C up to 24 h. The maximum radiolabeling yield was 92 ± 2%. Bacterial binding assay was performed with S. aureus and the in vivo distribution was studied in mice. Images showed minimal accumulation in non-target tissues, with an average target/non-target ratio of 2.89 ± 0.58.     

Application of Monte Carlo simulation method to polymerization kinetics over Ziegler–Natta catalysts

In the current work, the Monte Carlo simulation method was applied to ethylene polymerization over Ziegler–Natta catalysts. As expected, polymerization over each center of a Ziegler–Natta catalyst leads to a polymer having a Schultz–Flory molecular weight distribution. Notwithstanding, the total molecular weight distribution obtained by all catalyst centers together is at least twice as broad as that of each center. As another interesting finding, the introduction of hydrogen to the reaction deactivates the catalyst active centers and thereby reduces the catalyst activity. Nevertheless, it does not mainly affect the polymerization kinetics. In addition, the polymer molecular weight falls as hydrogen is added to the reaction since it acts as a strong transfer agent. The same effect is seen when cocatalyst concentration increases. Hydrogen also widens the polymer molecular weight distribution. © 2008 Wiley Periodicals, Inc. Int J Chem Kinet 41: 45–56, 2009     

Experimental and numerical investigation of concrete properties effects on fracture toughness under complex loading

Abstract

This article is presenting the common experimental specimen for determining the fracture toughness of the first pure mode and second pure mode. The Notched beam is chosen from a presented common specimen in the form of three-point flexure beam and four-point flexure beam that were built in the concrete laboratory. For prevention of cracks growth, a critical load of first pure mode and the second pure mode of each specimen computed. Obtained results are used for computing the fracture toughness. For the purpose of investigating the effective fracture parameters in the suggested specimen, finite element analysis on the mentioned geometry is performed. Obtained results show that different parameters are effective on the fracture toughness including crack length, cement percentage, water and the thickness of biggest used aggregate in the sand. Also with changing each of these parameters, the fracture mechanic properties are changed. Each of these effects is examined separately in this article and the conclusions presented in tables and figures.

Communicated by Dumitru Caruntu.     

Swirl effects on variable-density jet mixing in confined flows

An experimental investigation on swirl effects on inhomogeneous confined jet mixing in a combustor configuration is reported. The confined swirling flow was simulated by a swirler with a central jet mounted in a cyclindrical tube. Helium and air jets set at different velocities were injected into the confined swirling air flow. The resulting flow fields due to two vane swirlers with constant vane angles of 35° and 66° were compared. Results show that the 35° vane swirler produces a solid-body rotation core with a slope about twice that created by the 66° vane swirler. It is the behavior of this solid-body rotation core that determines jet mixing rather than the swirler vane angle. Consequently, the coaxial jet decays much faster, the mixing is more intense, and the turbulence intensities are higher for the 35° vane swirler. In view of these results, combustor designers should be more concerned with behavior of the solid-body rotation core produced by the swirler, instead of the swirler vane angle.     

Synthesis and In Vitro Cytotoxic Activity of Novel Triazole‐Isoxazole Derivatives

New derivatives of triazole‐isoxazole were synthesized through a four‐step reaction starting from various ethyl 4‐aryl‐2,4‐dioxobutanoate derivatives. Finally, all compounds were examined by MTT assays for cytotoxic activity in two human breast cancer cell lines (MCF‐7 and T‐47D).     

Synthesis of new dyes containing double tetrazole groups for sensitization of TiO<Subscript>2</Subscript> nanoparticles in dye-sensitized solar cells

Di(1H-tetrazol-5-yl)methane is employed as a new electron acceptor group in the synthesis of two metal-free organic dyes containing triphenylamine donor group. Dye-sensitized nanocrystalline TiO₂ solar cell (DSSC) applying these novel dyes is constructed for consideration of their photovoltaic properties. The electronic properties of the dyes are also considered with the aid of theoretical calculations. The DSSC constructed from 4-(2,2-di(1H-tetrazol-5-yl)vinyl)-N,N-diphenylaniline (T1) shows a short-circuit photocurrent density of 13.38 mA cm^?2, an open circuit voltage of 578 mV, and a fill factor of 0.54, with a resulted solar energy-to-electricity conversion efficiency of 4.18% under simulated 1 sun irradiation (100 mW cm^?2). This result reveals that the dye with the di(1H-tetrazol-5-yl)methane anchoring group injects more electrons to the conduction band of TiO₂ in comparison with its analogs with single tetrazole ring in their anchoring group. It is found that in spite of a red-shift of the absorption spectrum resulted from the lengthening of the molecule, the dye with two di(1H-tetrazol-5-yl)methane groups gives lower performance than the dye with a single electron acceptor.