Infrared and ultraviolet–visible spectroscopic studies of silica, [(Cp)2ZrCl2] and trimethylaluminum interactions

Infrared and UV–vis studies of metallocene immobilization on silica are reported here. The results have indicated changes in the Zr coordination sphere of metallocene depending on the immobilization route used. The reaction of [(Cp)₂ZrCl₂] with silica formed [(Cp)₂ZrCl]⁺[SiO]⁻ species. The same metallocene, reacting with TMA modified silica, formed monomethylated and dimethylated species by the substitution of chloro for methyl ligands, stabilized on the surface by interaction with “MAO-like” species (methylaluminoxane, MAO). These monomethylated and dimethylated cationic zirconium species are the active centers for the polymerization reaction. Different order of TMA addition in the silica modification step generated surface species of a similar nature, differing in their relative quantities. The highest amount of these active species was obtained when the support was added to the TMA solution rather than adding the TMA solution to the silica support. This was the most significant parameter affecting catalytic activity in ethylene polymerization.     

The risk of seroconversion in surgeons of the hepatitis B, hepatitis C and human immunodeficiency viruses (in a specific surgical population)

The prevalence of hepatitis B surface antigen (HBs Ag) and antibody to hepatitis C virus (HCV) and human immunodeficiency virus (HIV) was determined in the serum specimens of 288 patients treated surgically in the orthopaedic department of an urban public teaching hospital. The cumulative risk of HBV, HCV and HIV seroconversion for an orthopaedic surgeon during the surgical career span was calculated. We found that 1.4%, 3.1% and 1.7% of patients were seropositive for HBsAg, HCV antibody and HIV antibody, respectively. Seropositivity was neither associated with age nor with trauma, whereas male patients had a greater likelihood of seropositivity. Risk factor assessment did not prove to be discriminating in identifying which patients may pose a potential exposure risk. This study supports the concept of universal infection control precautions for orthopaedic surgeons regardless of the patients' risk factor or serologic status.     

Isolation of single yeast cells by optical trapping

Individual yeast cells can be successfully isolated and recultured on plates with a new isolation method making use of optical trapping with infrared laser light. The cells can be selected on morphological criteria by high resolution microscopy. The isolation device is constructed from two coverslips separated by spacers, in which selected cells are transferred to a plastic capillary, using the optical trap. To test the procedure, selection experiments were done with a mixture of two Saccharomyces cerevisiae strains, distinguishable both in fluorescence microscopy and on agar plates. These experiments showed that only selected cells were isolated, and close to 100% of the isolated stationary-phase cells formed colonies on agar plates, indicating a high recovery. A lower recovery was obtained with exponential-phase cells, possibly because of a higher sensitivity to laser irradiation. Applications for this method may include the isolation of mutants with altered morphology and the isolation of subpopulations of yeast cultures, for their separate investigation or for the initiation of pure cultures.     

Analysis of information exchange activities to actualize and validate situation awareness during shift changeovers in nuclear power plants

Shift work situations occur in almost all safety‐critical organizations, and the investigations of some catastrophes like Chernobyl, Exxon Valdez, and the Gol/Legacy mid‐air collision indicated that shift work information exchange played an important role during the evolution of the situation before the accidents. Inadequate communications during shift changeovers challenged operators' work in the moments that preceded these accidents, because they got inadequate information about the current situation. Our research focuses on the information exchange activities (verbal, written, and nonverbal) of nuclear power plant control operators during shift changeovers. Our aim is to investigate how verbal exchanges and other representations enable operator crews to share information regarding the events that occurred in the previous shift to achieve adequate situation awareness. Our findings indicated the importance and richness of the information exchange during the shift changeover process to update and validate individual and collective situation awareness, showing that information adequately shared enables the ad hoc configurations of regulation loops and a safer use of simplified strategies that can be understood and be validated by other operators, reducing the occurrence of cognitive overloads and contributing to the construction of a common cognitive ground that enhances system resilience. © 2010 Wiley Periodicals, Inc.     

A Holistic Evolutionary and 3D Pharmacophore Modelling Study Provides Insights into the Metabolism,Function, and Substrate Selectivity of the Human Monocarboxylate Transporter 4 (hMCT4)

Monocarboxylate transporters (MCTs) are of great research interest for their role in cancer cell metabolism and their potential ability to transport pharmacologically relevant compounds across the membrane. Each member of the MCT family could potentially provide novel therapeutic approaches to various diseases. The major differences among MCTs are related to each of their specific metabolic roles, their relative substrate and inhibitor affinities, the regulation of their expression, their intracellular localization, and their tissue distribution. MCT4 is the main mediator for the efflux of L-lactate produced in the cell. Thus, MCT4 maintains the glycolytic phenotype of the cancer cell by supplying the molecular resources for tumor cell proliferation and promotes the acidification of the extracellular microenvironment from the co-transport of protons. A promising therapeutic strategy in anti-cancer drug design is the selective inhibition of MCT4 for the glycolytic suppression of solid tumors. A small number of studies indicate molecules for dual inhibition of MCT1 and MCT4; however, no selective inhibitor with high-affinity for MCT4 has been identified. In this study, we attempt to approach the structural characteristics of MCT4 through an in silico pipeline for molecular modelling and pharmacophore elucidation towards the identification of specific inhibitors as a novel anti-cancer strategy.     

Global insight into microwave stoneware firing: Macro and microstructural changes

Industrial competition and environmental concerns lead to the exploration of alternative and energy-efficient technologies for ceramic materials processing. The main objective of this work was to present microwave heating as a viable option for stoneware processing. Stoneware functional properties are presented and discussed, with emphasis on impact strength, water absorption, porosity, and color. Microstructure analyses show that microwave- and gas-fired samples have higher densifications than electrically fired samples. A relevant finding for processing conditions is that microwave firing requires temperatures approximately 100°C lower than those required by conventional firing. Microwave-fired samples’ rupture energies are approximately twice (0.57 ± 0.06 (J)) those of the reference samples (0.26 ± 0.03 (J)), and their water absorptions are approximately one-half (1.5% at 1170°C and 0.8% at 1190°C) of those of the reference samples (2.0%), whereas the water absorption of electrically fired samples at 1180°C has been estimated to be 7.5%. Color analysis also evidences a shift to lower microwave firing temperatures, what is attributed to the enhanced transformations promoted by microwave heating when comparing with the transformations promoted by conventional (gas or electric) heating.     

The mechanical property and phase structures of wheat proteins/polyvinyl alcohol blends studied by high-resolution solid-state NMR

The phase structures of thermally processed wheat proteins (WP) and polyvinyl alcohol (PVOH) blends were studied by solid-state high-resolution NMR spectroscopy. The intermolecular interactions among the multi-component systems and the behavior of each component in the blends on scales of nanometers were examined. The mechanical properties of the blends were also measured and related to the phase structure studies. The results indicated that the polymer chains of WP could be homogeneously mobilized when thermally processed with glycerol and water as plasticisers, but the glycerol predominately associated with WP rather than PVOH in the blends. The intermolecular hydrogen bonding interactions between WP and PVOH caused some extent of miscibility in the system on scales of nanometers especially when the PVOH content was low. The tensile strength and modulus of the blends were improved as compared to WP. However, the intermolecular interactions were relatively weak and could not be further enhanced by increasing PVOH component in the blends. The particle miscible WP/PVOH blends contained plasticised WP and PVOH phases in conjunction with the miscible WP/PVOH phase. Increasing the PVOH content in the blends did not result in an increase of the percentage of the miscible phase and the blends tented to be immiscible while the elongation of the blends was reduced when increasing the PVOH content in the blends.     

The Instabilisation of Dye-Fibre Bonds by Peroxide Treatments

The results are presented of an investigation into the instability induced in dye-fibre bonds by peroxide treatments. The nature of the reactions involved are discussed.     

Carbon nanotube supported ruthenium catalysts for the treatment of high strength wastewater with aniline using wet air oxidation

Multi-walled carbon nanotubes (MWCNT) can be efficiently used as support of ruthenium catalysts for the catalytic wet air oxidation of high strength wastewater containing aniline. Catalysts were prepared using different ruthenium precursors, Ruthenocene [Ru(η⁵-C₅H₅)₂], Ruthenium (1,5-cyclooctadiene, 1,3,5-cyclooctatriene) [Ru(cod)(cot)] and Ruthenium trichloride (RuCl₃ · xH₂O), different impregnation methods (excess solution and incipient wetness impregnation) and different MWCNT support surface chemistry (nitric acid oxidized MWCNT-COOH and Na₂CO₃ ion exchanged MWCNT-COONa). The efficiency of the aniline removal obtained with the catalysts prepared with different precursors decreases in the order [Ru(cod)(cot)] > RuCl₃ · xH₂O > [Ru(η⁵-C₅H₅)₂], 100% aniline conversion being obtained after 45 min of reaction with the catalyst prepared with [Ru(cod)(cot)]. The influence of the impregnation technique was found to be negligible, while the use of the MWCNT-COONa support led to increased catalyst performances when compared to that obtained with catalysts prepared with the MWCNT-COOH support. Leaching of ruthenium was observed in all cases, but the use of the precursor [Ru(cod)(cot)] and of the support MWCNT-COONa in the preparation of the catalysts seems to improve their stability. A direct relationship between metal load and catalyst stability was found and attributed to the strength of metal-support interactions.     

Thermotropic polyester: the influence of the spacer on the physical properties

Thermotropic polyesters prepared from series of 4,4-dihydroxy-,w-diphenoxy alkanes and 4,4-dichloroformyl-,w-diphenoxy alkanes are well known. The substitution of a methylenic spacer by an oxyethylenic spacer in the main chain of these polyesters drastically modifies their physical properties, particularly the mesogenic transition temperatures, as can be observed by DSC and thermooptical analysis. The thermal stability and the polymer solubility in common organic solvents of these polymers did not show a significant change. The physical properties of the two thermotropic polyesters prepared in diphenyl ether were evaluated.