Materials Literature
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The Online Chemical Modeling Environment is a web-based platform that aims to automate and simplify the typical steps required for QSAR modeling. The platform consists of two major subsystems: the database of experimental measurements and the modeling framework. A user-contributed database contains a set of tools for…
Molecular docking has become an increasingly important tool for drug discovery. In this review, we present a brief introduction of the available molecular docking methods, and their development and applications in drug discovery. The relevant basic theories, including sampling algorithms and scoring functions, are sum…
Dans une réaction chimique mettant en jeu un gaz, un liquide et un solide catalytique, ce dernier peut être disposé en lit fixe, traversé par le liquide et le gaz. Cette disposition est souvent préférée pour sa simplicité et sa robustesse.
Water dispersible avermectin-layered double hydroxide nanocomposites were successfully prepared using sodium dodecyl sulfate as surface modifier. Concentrations of sodium dodecyl sulfate and NaCl had important effects on the product suspensibility, the highest value of which reached 97.6%. All the samples were charact…
Single negatively charged nitrogen-vacancy (NV-) defect centres in diamond are attractive systems for the implementation of solid state quantum information processing (QIP) and quantum key distribution (QKD). In both approaches, the coupling of an individual NV-centre to a resonant microcavity is of interest: it would…
Sulfuric acid leaching method was used to separate magnesium and silicon from low-grade magnesite directly in this paper. The studies indicate that when the reaction time is 2 h, reaction temperature 150°C, mixture ratio of acid and magnesite 3:1 (ml:g), acid concentration 70%, the extraction rate of Mg is 96.2%. The…
This work proposes the use of CeO2 as additive for La0.8Sr0.2MnO3 cathodes (LSM) in order to increase both their thermal stability and electrochemical properties after co-sintering with YSZ-electrolyte at 1350°C. Results show that non CeO2-added LSM is instable at 1350°C, whereas in CeO2-added LSM cathodes the instabi…
Ferromagnetic shape memory alloys can produce large strains in a magnetic field by twin boundary motion. The mobility of parent-martensite inter-phase interfaces and twin-twin inter-variant boundaries is closely related to their interfacial structures and the mechanism of migration, therefore a thorough understanding…
The influence of nickel and chromium on the ferrite phase content in austenitic high-temperature 07Kh25N13 and 04Kh20N10G2B steels is studied.
In this paper is presented an example of experimental analysis of biomaterials based on optical measurement methodology. GOM optical system and Aramis software were used to perform 3D experimental optical analysis of titanium alloys for biomedical applications. The possibilities of using this method for analyzing mate…
As argilas, quando misturadas com água, adquirem a propriedade chamada plasticidade que tem papel fundamental durante o seu processamento. As técnicas empregadas na caracterização da plasticidade muitas vezes não revelam resultados quantitativos que permitam sua aplicação em modelos matemáticos do processo de conforma…
The results obtained from subjecting shell parts of PT-60-130 and T-100-130 turbines to restorative thermal treatment in different modes under industrial conditions are analyzed by way of comparison and generalized. Specific features relating to structural transformations occurring in different modes of restorative th…
The use of Kruskal-Wallis test as an analytical tool for the key components of a newly developed core mixture was studied. The study showed that Kruskal-Wallis test can be use to analyze a core mixture using data collected on the properties of the core mixture. In this work the data used was the dry compression streng…
CaCu3Ti4O12presents colossal dielectric permittivity within a large temperature and frequency range, which makes it to be a suitable material for technological applications, such as components of capacitive memories and mobile phones. In this investigation, SrTiO3-doped CaCu3Ti4O12ceramics were prepared by solid-state…
This work investigates polarization phenomena induced by nanoparticle inclusions in paraffin oil, an insulating organic liquid. Fine metal oxide powders and nanopowders of Al2O3, TiO2, CuO, Cu2O and Fe2O3were tested at concentrations up to 5% w/v in the liquid matrix. Emulsification was attained by ultrasound treatmen…
In complex perovskite oxides, it has been reported that the thermal expansion coefficient increases with the increase in the oxygen ionic conductivity. However, its theoretical background has not been clarified yet. In the present study, a model to understand the relationship is presented. By analyzing the experimenta…
The interaction of undescribed 1,3-diamino-4-morpholinebenzene with dianhydrides of various aromatic tetracarboxylic acids yields morpholine-substituted soluble polyimides. The thermal properties of these polymers are studied.
Abstract In this paper, parameters of ferroelectric liquid crystals (FLC) with different alignment materials, which include Nylon 6 with rubbing method, photoaligned azo‐dye layer SD1 and new photosensitive material from DIC, were investigated. The effects of alignment layer on contrast ratio, response time and switch…
We investigated the durability of the transparency and the conductivity of TiO2:Nb against the high temperature thermal annealing, and the potential as a diffusion barrier layer of phosphorous atoms for silicon quantum dot superlattice solar cells. The films were annealed at 900 °C for 30 minutes under the forming gas…
We report here the successful synthesis of large-scale, well-aligned pure Ni and Ni-Co alloy nanowires by employing the DC electrodeposition in conjunction with removable anodic alumina oxide (AAO) templates technique. The morphologies, crystal structures, and compositions of the as-synthesized nanowires were systemat…