Transformation of dependent variables and the finite element solution of nonlinear evolution equations

Transformation of dependent variables as, for example, the Kirchhoff transformation, is a classical tool for solving nonlinear partial differential equations. This approach is used here in connection with the finite element method and explained first in case of nonlinear heat conduction problems without phase change. The main applications of the method given in the paper concern a nonlinear degenerate parabolic equation for fluid flow through a porous medium and Stefan (moving boundary) problems.     

Comprehensive study on surfactant role on silver nanoparticles (NPs) prepared via modified Tollens process

Surfactants represent not only commonly used wetting agents but also substances that can be used as growth modifiers in the process of solid nanoparticle (NP) preparation. In this study we report influential character of different types of surfactants – i.e. ionic (SDS, CTAC) and non-ionic (Tween 80) – on fundamental characteristics of silver NPs, which were prepared by a modified Tollens process. The influential character of surfactants was evaluated throughout a reasonable improvement of the polydispersity (in the case of the tested non-ionic surfactants from 8.5% even down to 2.5%) and in the case of ionic surfactant, SDS and CTAC, also significant change of zeta potential (from −20 to −50 mV for the highest tested concentration of SDS). A slight influence of the tested surfactants was observed on the sizes of the prepared silver NPs. Therefore the obtained results from the performed surfactant-assisted syntheses revealed a possibility how to tailor silver NPs by means of their polydispersity and zeta potential according to the application demands.     

Dose calculations using artificial neural networks: A feasibility study for photon beams

Direct dose calculations are a crucial requirement for Treatment Planning Systems. Some methods, such as Monte Carlo, explicitly model particle transport, others depend upon tabulated data or analytic formulae. However, their computation time is too lengthy for clinical use, or accuracy is insufficient, especially for recent techniques such as Intensity-Modulated Radiotherapy. Based on artificial neural networks (ANNs), a new solution is proposed and this work extends the properties of such an algorithm and is called NeuRad.Prior to any calculations, a first phase known as the learning process is necessary. Monte Carlo dose distributions in homogeneous media are used, and the ANN is then acquired. According to the training base, it can be used as a dose engine for either heterogeneous media or for an unknown material. In this report, two networks were created in order to compute dose distribution within a homogeneous phantom made of an unknown material and within an inhomogeneous phantom made of water and TA6V4 (titanium alloy corresponding to hip prosthesis).All NeuRad results were compared to Monte Carlo distributions. The latter required about 7 h on a dedicated cluster (10 nodes). NeuRad learning requires between 8 and 18 h (depending upon the size of the training base) on a single low-end computer. However, the results of dose computation with the ANN are available in less than 2 s, again using a low-end computer, for a 150×1×150 voxels phantom. In the case of homogeneous medium, the mean deviation in the high dose region was less than 1.7%. With a TA6V4 hip prosthesis bathed in water, the mean deviation in the high dose region was less than 4.1%.Further improvements in NeuRad will have to include full 3D calculations, inhomogeneity management and input definitions.     

Microstructure,Phase Occurrence,and Corrosion Behavior of As-Solidified and As-Annealed Al-Pd Alloys

In the present work, we studied the microstructure, phase constitution, and corrosion performance of Al₈₈Pd₁₂, Al₇₇Pd₂₃, Al₇₂Pd₂₈, and Al₆₇Pd₃₃ alloys (metal concentrations are given in at.%). The alloys were prepared by repeated arc melting of Al and Pd granules in argon atmosphere. The as-solidified samples were further annealed at 700 °C for 500 h. The microstructure and phase constitution of the as-solidified and as-annealed alloys were studied by scanning electron microscopy, energy-dispersive x-ray spectroscopy, and x-ray diffraction. The alloys were found to consist of (Al), ε _n (~ Al₃Pd), and δ (Al₃Pd₂) in various fractions. The corrosion testing of the alloys was performed in aqueous NaCl (0.6 M) using a standard 3-electrode cell monitored by potentiostat. The corrosion current densities and corrosion potentials were determined by Tafel extrapolation. The corrosion potentials of the alloys were found between ? 763 and ? 841 mV versus Ag/AgCl. An active alloy dissolution has been observed, and it has been found that (Al) was excavated, whereas Al in ε _n was de-alloyed. The effects of bulk chemical composition, phase occurrence and microstructure on the corrosion behavior are evaluated. The local nobilities of ε _n and δ are discussed. Finally, the conclusions about the alloy’s corrosion resistance in saline solutions are provided.     

Determination of testosterone esters and nortestosterone esters in animal blood serum by LC-MS/MS

A sensitive and robust confirmatory method for determination of steroid esters in blood serum is essential for reliable monitoring of possible illegal use of steroid hormones as growth promoters in meat production. A previously used sample preparation methodology was improved. The procedure consists of protein precipitation and removal of phospholipids by dispersive SPE Supel? QuE Z-Sep (Sigma-Aldrich) followed by clean-up on alumina column and LC-MS/MS measurement. The modified method has been validated according to Commission Decision 2002/657/EC. Validation parameters for determination of six testosterone esters and five nortestosterone esters in bovine and porcine blood serum are presented in this article. Decision limits for all analytes were observed in the range 10–20 pg mL^?1. The method described is considerably robust for bovine and porcine serum analyses and can be applied both for screening and confirmatory determination in routine residue monitoring.     

Double O,C,O-chelated diorganotin(IV) cation

The synthesis of double O,C,O-chelated diorganotin(IV) compound L₂SnBr₂ (1), where L is 2,6-(MeOCH₂)₂C₆H₃^?, the precursor for the synthesis of Sn ← O intramolecularly coordinated organotin(IV) cations is reported. Treatment of compound 1 with SnBr₄ yielded the double O,C,O-chelated diorganotin(IV) ionic pair [L₂SnBr]⁺ [SnBr₅·THF]^? (2). Both compounds 1 and 2 were characterized by ¹H, ¹³C, ¹¹⁹Sn NMR and molecular structure of compound 2 was established by X-ray diffraction.     

Rheological properties of magnetic and electro-active nanoparticles in non-polar liquids

The rheological properties of two non-polar liquids [silicone oil or perfluorinated oil (FC70)] containing various types of particles, barium titanate, nickel and iron oxide, were investigated as functions of solid loading, particle size and shear rate. All the particles were synthesised in-house. The viscosities of either silicone oil or FC70 containing different solid loadings (10, 20 and 30 g/L) were measured over the shear rate range of 0.10–10 s⁻¹. All the nanofluids showed shear-thinning behaviour within this range and the viscosities increased with the increase of concentrations of nanoparticle and with the decrease of particle size. The highest increase of viscosity was found to be caused by nickel particles in silicone oil due to the formation of Ni network.     

Indene epoxidation over immobilized methyltrioxorhenium on MCM-41 silica,fumed silica and aluminosilicate materials

The presented report focuses on the testing of heterogenized methyltrioxorhenium (MTO) in indene epoxidation. A range of mesoporous materials with different SiO₂/Al₂O₃ ratios, namely aluminosilicates type Siral and MCM-41 silica and fumed silica, were used as supports for immobilization of MTO. The tested support materials and prepared catalytic systems exhibited high surface area, well-defined regular structure and narrow pore size distribution of mesopores and therefore represent good quality catalysts for various reactions. The immobilized MTO on various supports was tested for the preparation of 1,2-epoxyindane using two forms of hydrogen peroxide as oxidation agents, namely aqueous solution of hydrogen peroxide and its anhydrous form, urea-hydrogen peroxide. The prepared catalysts were successfully used for the preparation of 1,2-epoxyindane with achieved 100 % selectivities to the desired product at high conversions of indene.     

NaCl as a retrospective and accident dosemeter

NaCl is a cheap and widely available material. This study investigated the potential of NaCl in the form of a household salt as a retrospective and accident dosemeter using optically stimulated luminescence (OSL). Samples of the investigated household salt were stimulated using blue light of linearly modulated power. Attention was concentrated on sensitivity, dose dependence of the OSL signal, fading, optimisation of the read-out procedure and application of analytical protocols that do not require a specific calibration. A potential of NaCl as a complementary dosemeter within emergency preparedness was considered. The behaviour of the OSL signal observed was found to be favourable for dosimetry.     

Curing of epoxy resins with amines

Summary Using determination of the critical molar ratio of functional groups necessary for gel formation with amino groups in excess, network formation was investigated in the reaction of diglycidyl ether of Bisphenol A (DGEBA) and nitrogen-containing epoxy resins — diglycidylaniline and N,N,N,N-tetraglycidyl-4,4-diaminodiphenylmethane with aromatic or aliphatic amines. It was found that in the case of nitrogen-containing epoxides the crosslinking is accompanied by pronounced cyclization, unlike in systems with DGEBA. Gelation depends on the relative reactivity of the primary and secondary hydrogen atom of the amino group. In the case of nitrogen-containing polyepoxides, the dependence of reactivities of adjacent glycidyl groups is also operative.