Temperature dependence of protein dynamics simulated with three different water models

The effect of variation of the water model on the temperature dependence of protein and hydration water dynamics is examined by performing molecular dynamics simulations of myoglobin with the TIP3P, TIP4P, and TIP5P water models and the CHARMM protein force field at temperatures between 20 and 300 K. The atomic mean-square displacements, solvent reorientational relaxation times, pair angular correlations between surface water molecules, and time-averaged structures of the protein are all found to be similar, and the protein dynamical transition is described almost indistinguishably for the three water potentials. The results provide evidence that for some purposes changing the water model in protein simulations without a loss of accuracy may be possible.

Synthesis and characterization of glass-ceramic microspheres for thermotherapy

Glass microspheres containing radionuclides are used to treat liver cancer. A promising alternative therapy is being developed based on the magnetic hyperthermia which is related to the heat supplied by a magnetic material under an alternating current magnetic field. The advantage of this option is that most of killed cells are cancer cells which are more susceptible to the temperature raise. In the present work aluminum iron silicate glasses containing minor glass modifiers and nucleating agents were synthesized as irregular shape particles which were further transformed in microspheres by using a petrol liquefied gas-oxygen torch. The optimized processing parameters which lead to microspheres that give a response to the magnetic field were determined. The dissolution rate in water at 90 degrees C was determined to be 3 x 10(-8) g cm(-2) min(-1). The microsphere size distribution was determined by laser scattering. The crystalline phase responsible for the ferromagnetic response was identified as magnetite. Since this phase has a high saturation magnetization and high Curie temperature, it is potentially useful for biomedical applications. The hysteresis magnetic loop was measured for materials produced in different conditions, and some of them showed to be appropriated for thermotherapy. The ratio Fe(3+)/Fe(total) was determined by Mossbauer spectroscopy. (C) 2010 Elsevier B.V. All rights reserved.

Synthesis and characterization of phosphate glass microspheres for radiotherapy applications

Class microspheres containing the radioisotope (32)P, a beta(-) particle emitter, and half-life of 14.3 days, can be easily introduced in specific human organs such as liver, pancreas. and uterus to kill cancer cells. In the present work phosphate glass microspheres were produced with different compositions and particle size distribution in the range of 20- 30 mu m. Two different thermal processes were used to spherodize glass particles originally with irregular shapes. Samples were characterized by X-rays diffraction to check the amorphous structure, energy dispersive X-rays fluorescence spectroscopy to determine the final glass composition, and Fourier transformed infrared spectroscopy to determine the structural groups in the glass structure. The dissolution rate of glass samples in water was determined at 90 degrees C, and in simulated body fluid (SBF) at 37 degrees C. Classes with dissolution rates close to 10(-5) g/(cm(2) day) were obtained, which make them suitable for the present application. Scanning electron microscopy was used to evaluate the shape of the microspheres before and after the dissolution tests. The cytotoxicity tests showed that these microspheres can be used for biological applications. (C) 2008 Elsevier B.V. All rights reserved.

The shoving model for the glass-former LiCl center dot 6H(2)O: A molecular dynamics simulation study

Molecular dynamics (MD) simulations of LiCl center dot 6H(2)O Showed that the diffusion coefficient D, and also I lie structural relaxation time , follow a power law at high temperatures, D(-1) proportional to (T - T(0))(-mu), with the same experimental parameters for viscosity (T(0) = 207 K, mu = 2.08). Decoupling between D and occurs at T(x) similar to 1.1 T(0). High frequency acoustic excitations for the LiCl center dot 6H(2)O model were obtained by the calculation of time correlation functions of mass current fluctuations. The temperature dependence of the instantaneous shear modulus, G,(T), was considered in the shoving model for supercooled liquids [J.C. Dyre, T. Christensen, N.B. Olsen, J. Non-Cryst. Solids 352 (2006) 4635] resulting in a linear relationship log (D(-1)) vs. G root T. (C) 2009 Elsevier B.V. All rights reserved.

Weaning and growth of Anguilla australis glass eels and elvers

Anguilla australis glass eels proved to be resilient and present strong aquaculture potential. General husbandry techniques, anaesthesia and prophylactic treatments were established for glass eels between 0.1 g and 2.0 g and elvers between 2.0 g and 8.0 g, caught in rivers and estuaries along the South East Coast of Victoria. The protozoan parasites Ichthyobodo and Trichodina were found to be present on arrival to the hatchery developed during different rearing treatments, and were successfully eradicated. A. australis glass eels accepted artificial food, but it was recommended first be fed a preweaning diet of minced fish flesh. A weaning regime from minced fish flesh to commercially available eel grower mash, over 15 days was established. Growth rate proved to be highly variable, both between and within groups. The highest growth rate of 2.71%/day was found when the natural diet of minced fish and Artemia was fed. The maximum growth rate when reared on an artificial diet of 1.63%/day was observed at 25°C. Growth was affected by the presence or absence of a preweaning diet, weaning diet, weaning period, temperature, but not by size or density. Once weaned, glass eels were found to perform better on commercially available grower mash than on the minced fish flesh, which was used to aid in weaning them to artificial diets. Of the water quality parameters measured stocking density was found to affect pH, Total Ammonia Nitrogen, Total Phosphorus, and Dissolved Oxygen, through not to an extent which affected growth.

Artworks : Water Table and Rain Table : presented as part of the Periscope Exhibition, Castlemaine State Festival

Rain Table and Water Table: Delicate splashes and droplets of water act like primitive lenses bringing transparency to the diffused images of celestial bodies. These two installation pieces are inspired by the beauty of the night sky and invite the viewer to consider the cosmos in relation to ones self and to contemplate the discoveries which have changed our understanding of the universe. Water Table and Rain Table are the two works being presented as part of Periscope. Through the form of the science bench or museum cabinet, luminous and projected images play against glass and water invoking the sublime sense of wonder that we have when we look to the starry night sky. Water Table - In 1912 the astronomer, Vesto Slipher made the discovery that “Nebula” were moving at incredible velocities due to the expansion of space itself. This discovery revealed these “Nebula” to be vastly remote and independent galaxies. Water Table speculates on the understanding that when we look into deep space, we also look into deep time. Rain Table is a new work produced for the festival and makes reference to the first telescopic observations of the Moon made by the mathematician, philosopher and astronomer, Galileo Galilei in 1610. The implication of Galileo’s observations gave rise to a radical new understanding of the heavens and our place in it and the final acceptance that the Earth was not the centre of the Universe.

Castlemaine State Festival 2013: Periscope Exhibition: Artwork No 1: "Water Table"

Rian Table and Water Table: Delicate splashes and droplets of water act like primitive lenses bringing transparency to the diffused images of celestial bodies. These two installation pieces are inspired by the beauty of the night sky and invite the viewer to consider the cosmos in relation to ones self and to contemplate the discoveries which have changed our understanding of the universe. Water Table and Rain Table are the two works being presented as part of Periscope. Through the form of the science bench or museum cabinet, luminous and projected images play against glass and water invoking the sublime sense of wonder that we have when we look to the starry night sky. Water Table In 1912 the astronomer, Vesto Slipher made the discovery that “Nebula” were moving at incredible velocities due to the expansion of space itself. This discovery revealed these “Nebula” to be vastly remote and independent galaxies. Water Table speculates on the understanding that when we look into deep space, we also look into deep time. Rain-Table is a new work produced for the festival and makes reference to the first telescopic observations of the Moon made by the mathematician, philosopher and astronomer, Galileo Galilei in 1610. The implication of Galileo’s observations gave rise to a radical new understanding of the heavens and our place in it and the final acceptance that the Earth was not the center of the Universe.

Reduction of oxygen in a trialkoxy ammonium-based ionic liquid and the role of water

The oxygen reduction reaction in a novel trialkoxy ammonium-based ionic liquid, N-ethyl-2-(2-methoxyethoxy)-N,N-bis(2-(2-methoxyethoxy)ethyl)ethan-1-aminium bis(trifluoromethylsulfonyl)imide, [N2(20201)(20201)(20201)] [NTf2] has been studied on glassy carbon and gold electrodes, showing faster electrokinetics on glass carbon because of weaker adsorption of the IL. This has been demonstrated by theoretical calculations and electrochemical studies. In the neat IL, the oxygen is reduced to superoxide (O2 -) through a one electron process; however, better performance is attained in the presence of water (42 mol%), in terms of current density, and onset potential of the reduction process via a reversible 2-electron process. Furthermore, a remarkable increase in cyclic coulombic efficiency is observed for the wet IL (66% in comparison with the neat IL (24%), showing the practicality of a reversible O2/H2O2 system for energy storage.

Ion-tagged prolinamide organocatalysts for the direct aldol reaction on-water

A concise synthesis of two imidazolium ion-tagged prolinamide organocatalysts 3 and 4, varying in anionic component (CF3COO- and PF6 -, respectively) is presented. The latter could be classified as an ionic liquid with a melting point of 66.3 °C, and glass transition temperature of 14.5 °C. The efficiency of each catalyst was compared via a direct aldol reaction revealing a large contrast in catalytic performance, with the catalyst bearing the PF6 - anion being superior. The optimal conditions were determined to be an on-water reaction system, and substrate scoping gave a range of desired aldol products in high conversion (up to >99 %), dr (up to 98:2), and er (up to 96:4). The application of these catalysts to beta-nitrostyrene conjugate addition is also presented. Graphical Abstract: [Figure not available: see fulltext.]

Crystallization of SiO2-CaO-Na2O Glass Using Sugarcane Bagasse Ash as Silica Source

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Recycling of glass cullet as aggregate for clays used to produce roof tiles

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Glass transition temperature of hard chairside reline materials after post-polymerisation treatments

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Effect of microwave irradiation and water storage on the viscoelastic properties of denture base and reline acrylic resins

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Factors affecting on bond strength of glass fiber post cemented with different resin cements to root canal

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Effect of Airborne-Particle Abrasion and Mechanico-Thermal Cycling on the Flexural Strength of Glass Ceramic Fused to Gold or Cobalt-Chromium Alloy

Purpose: To evaluate the effect of airborne-particle abrasion and mechanico-thermal cycling on the flexural strength of a ceramic fused to cobalt-chromium alloy or gold alloy.Materials and Methods: Metallic bars (n = 120) were made (25 mm x 3 mm x 0.5 mm): 60 with gold alloy and 60 with Co-Cr. At the central area of the bars (8 mm x 3 mm), a layer of opaque ceramic and then two layers of glass ceramic (Vita VM13, Vita Zahnfabrick) were fired onto it (thickness: 1 mm). Ten specimens from each alloy group were randomly allocated to a surface treatment [(tungsten bur or air-particle abrasion (APA) with Al(2)O(3) at 10 mm or 20 mm away)] and mechanico-thermal cycling (no cycling or mechanically loaded 20,000 cycles; 10 N distilled water at 37 degrees C and then thermocycled 3000 cycles; 5 degrees C to 55 degrees C, dwell time 30 seconds) combination. Those specimens that did not undergo mechanico-thermal cyclingwere stored inwater (37 degrees C) for 24 hours. Bond strength was measured using a three-point bend test, according to ISO 9693. After the flexural strength test, failure types were noted. The data were analyzed using three factor-ANOVA and Tukey's test (alpha = 0.05).Results: There were no significant differences between the flexural bond strength of gold and Co-Cr groups (42.64 +/- 8.25 and 43.39 +/- 10.89 MPa, respectively). APA 10 and 20 mm away surface treatment (45.86 +/- 9.31 and 46.38 +/- 8.89 MPa, respectively) had similar mean flexural strength values, and both had significantly higher bond strength than tungsten bur treatment (36.81 +/- 7.60 MPa). Mechanico-thermal cycling decreased the mean flexural strength values significantly for all six alloy-surface treatment combinations tested when compared to the control groups. The failure type was adhesive in the metal/ceramic interface for specimens surface treated only with the tungsten bur, and mixed for specimens surface treated with APA 10 and 20 mm.Conclusions: Considering the levels adopted in this study, the alloy did not affect the bond strength; APA with Al(2)O(3) at 10 and 20 mm improved the flexural bond strength between ceramics and alloys used, and the mechanico-thermal cycling of metal-ceramic specimens resulted in a decrease of bond strength.