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.     

Challenges in computer architecture evaluation

We focus on problems suited to the current evaluation infrastructure. The current limitation and trends in evaluation techniques are troublesome and could noticeably slow the rate of computer system innovation. New research has been recommended to help and make quantitative evaluations of computer systems manageable. We support research in the areas of simulation frameworks, benchmarking methodologies, analytic methods, and validation techniques.     

The effect of partial substitution of nb for v on austenite grain size and hardness of a tool steel

In the present work, the composition of H- 13 tool steel was modified with respect to the vanadium content to include an addition of niobium to obtain improved austenite grain size control without altering the tempering response of the steel. Optical metallography and transmission electron microscopy (TEM) observation of extraction replicas showed that the new steel had a smaller austenite grain size and a finer carbide size distribution than the vanadium steel, which indicates a higher potential toughness.     

Autoimmune diabetes induced by the beta-cell toxin STZ. Immunity to the 60-kDa heat shock protein and to insulin

Administered at a suitably low dose, the toxin streptozotocin (STZ) can trigger an autoimmune process leading to destruction of the beta-cells of the pancreatic islets. In this study, we examined specific immunological reactions in mice before and during the development of STZ-induced autoimmune diabetes. We now report that the development of spontaneous autoantibodies to insulin can serve as a marker of susceptibility to a low dose of STZ. Susceptible male mice of the C57BL/KsJ strain manifested such anti-insulin antibodies, and resistant female mice did not. Administration of a low dose of STZ (five daily doses each of 30 mg/kg) induced transient hyperglycemia approximately 20-30 days later, which temporarily remitted but was followed by intractable diabetes approximately 2.5 months later. The diabetogenic process triggered by the low dose of STZ was associated with an increase in the level of anti-insulin antibodies bearing the Dana and Micha (DM) idiotype, later followed by the appearance of anti-idiotypic antibodies that peaked before the onset of diabetes. Antibodies and T-cells reactive to hsp60 (heat shock protein) were triggered by the low-dose STZ administration and persisted throughout the period that preceded clinical diabetes. T-cells reactive to the p277 peptide of hsp60 were also observed. Finally, active immunization to hsp60 caused transient hyperglycemia by itself and also aggravated the hyperglycemia induced by low-dose STZ. Thus, autoantibodies to insulin can indicate susceptibility to a toxic trigger of diabetes, and a low dose of a toxin can activate the insulin and hsp60 autoimmunity that has been detected previously in the spontaneous autoimmune diabetes of NOD strain mice.     

Exporting water wave optimization concepts to modified simulated annealing algorithm for size optimization of truss structures with natural frequency constraints

This paper proposes an improved version of a recently proposed modified simulated annealing algorithm (MSAA) named as an improved MSAA (I-MSAA) to tackle the size optimization of truss structures with frequency constraint. This kind of problem is problematic because its feasible region is non-convex while the boundaries are highly non-linear. The main motivation is to improve the exploitative behavior of MSAA, taking concept from water wave optimization metaheuristic (WWO). An interesting concept of WWO is its breaking operation. Thirty functions extracted from the CEC2014 test suite and four benchmark truss optimization problems with frequency constraints are explored for the validity of the proposed algorithm. Numerical results indicate that I-MSAA is more reliable, stable and efficient than those found by other existing metaheuristics in the literature.

     

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.     

Superabsorbent hydrogel based on modified polysaccharide for removal of Pb2+ and Cu2+ from water with excellent performance

This contribution describes the absorption percentage of Pb²⁺ and Cu²⁺ from water by a superabsorbent hydrogel matrix (SH) made from an anionic polysaccharide copolymerized with acrylic acid (AAc) and acrylamide (AAm). Metal‐absorption tests, upon sequential pH variation, indicated that the SH has pH‐sensitivity for the absorption of both metals from solution, attributed to the functional ionic groups (? COOH) present in the AAc and arabic gum (AG) segments. At the pH 5.0, the SH exhibited good absorption capacity: 73.10% for Pb²⁺, 81.99% for Cu²⁺ in water and 63.64% for Pb²⁺, and 76.67% for Cu²⁺ in saline water with 0.1 mol kg^?1 ionic strength. A replicated 2² full factorial design with a central point was built to evaluate the maximum absorption capacity of the metals into the SH. It was found that both the interaction and main effects of the pH and the initial concentration of metal solution on absorption percentage of the metals were statistically significant. Surface response plots indicated that the absorption capacity of both metals into the SH may be appreciably improved by using the solutions with lower initial concentration of metal and with higher pH values. Metal‐absorption results demonstrated that the SH is a convenient material for absorption of Pb²⁺ and Cu²⁺ from pure aqueous and saline aqueous environments. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2007