Effects of aluminium nitride silane-treatment on the mechanical and thermal properties of polybenzoxazine matrix

A new kind of polymer composite, produced from the typical polybenzoxazine and 0–30 wt-% native and silane-treated aluminium nitride (T-AlN), was investigated. The mechanical tests revealed a significant increase in the microhardness and flexural properties upon adding the T-AlN particles compared to that obtained from the untreated ones. By adding 0–30 wt-% T-AlN, the tensile moduli were accurately reproduced by the Halpin-Tsai and Nielsen models. At 30 wt-% T-AlN, dynamic mechanical analysis showed a significant increase in the storage moduli and the glass transition temperature (T_g), reaching 3.2?GPa and 217°C, respectively. The thermal stability of these materials was significantly improved upon the addition of the T-AlN fillers. These improvements are attributed to the high thermal and mechanical properties of the fillers and their good dispersion and adhesion in and to the matrix as revealed by a morphological analysis.     

Portfolio Selection Using Multivariate Semiparametric Estimators and a Copula PCA-Based Approach

Computational Economics - This paper investigates the implications for portfolio theory of using multivariate semiparametric estimators and a copula-based approach, especially when the number of...     

Macropore formation in p-type silicon: toward the modeling of morphology

The formation of macropores in silicon during electrochemical etching processes has attracted much interest. Experimental evidences indicate that charge transport in silicon and in the electrolyte should realistically be taken into account in order to be able to describe the macropore morphology. However, up to now, none of the existing models has the requested degree of sophistication to reach such a goal. Therefore, we have undertaken the development of a mathematical model (phase-field model) to describe the motion and shape of the silicon/electrolyte interface during anodic dissolution. It is formulated in terms of the fundamental expression for the electrochemical potential and contains terms which describe the process of silicon dissolution during electrochemical attack in a hydrofluoric acid (HF) solution. It should allow us to explore the influence of the physical parameters on the etching process and to obtain the spatial profiles across the interface of various quantities of interest, such as the hole concentration, the current density, or the electrostatic potential. As a first step, we find that this model correctly describes the space charge region formed at the silicon side of the interface.     

Catalytic Sulfation of Betulin with Sulfamic Acid: Experiment and DFT Calculation

Betulin is an important triterpenoid substance isolated from birch bark, which, together with its sulfates, exhibits important bioactive properties. We report on a newly developed method of betulin sulfation with sulfamic acid in pyridine in the presence of an Amberlyst^®15 solid acid catalyst. It has been shown that this catalyst remains stable when being repeatedly (up to four cycles) used and ensures obtaining of sulfated betulin with a sulfur content of ~10%. The introduction of the sulfate group into the betulin molecule has been proven by Fourier-transform infrared, ultraviolet-visible, and nuclear magnetic resonance spectroscopy. The Fourier-transform infrared (FTIR) spectra contain absorption bands at 1249 and 835–841 cm⁻¹; in the UV spectra, the peak intensity decreases; and, in the nuclear magnetic resonance (NMR) spectra, of betulin disulfate, carbons С3 and С28 are completely shifted to the weak-field region (to 88.21 and 67.32 ppm, respectively) with respect to betulin. Using the potentiometric titration method, the product of acidity constants K₁ and K₂ of a solution of the betulin disulfate H⁺ form has been found to be 3.86 × 10^–6 ± 0.004. It has been demonstrated by the thermal analysis that betulin and the betulin disulfate sodium salt are stable at temperatures of up to 240 and 220 °C, respectively. The density functional theory method has been used to obtain data on the most stable conformations, molecular electrostatic potential, frontier molecular orbitals, and mulliken atomic charges of betulin and betulin disulfate and to calculate the spectral characteristics of initial and sulfated betulin, which agree well with the experimental data.     

Characterization of aromatic compounds and biological activities of essential oils from Tunisian aromatic plants

The aromatic compounds and biological activities of essential oils from six Tunisian aromatic plants including Artemisia herba-alba, Rosmarinus officinalis, Thymus capitatus, Mentha piperita, Ocimum basilicum and Artemisia absinthium were investigated. Hydro-distillation was used to extract essential oil from these plants. The identification of compounds from essential oils was performed using GC–MS analysis. Camphor (28.47%) was the major compound of A. absinthium essential oil. High contents of verbenone (20.99%) and camphor (19.72%) were found in R. officinalis. In the case of T. capitatus, carvacrol (81.09%), gamma terpinene (6.61%) and caryophyllene (4.87%) were identified as the major compounds. While eugenol (24.69%), linalool (18.00%) were characteristic compounds of O. basilicum essential oil, camphor (39.10%) and farnesol (14.25%) together with bornyl acetate (12.31%) were the main constituents of A. absinthium. These oils were also subjected to a screening for their antioxidant activity and essential oil from A. absinthium showed a greater antioxidant activity (IC₅₀?=?0.0063 mg/mL) compared to the standard Vitamin E (IC₅₀?=?0.019 mg/mL). The antibacterial activities of the oils against seven pathogenic strains, Pseudomonas aeruginosa, Bacillus cereus, Salmonella, Klebsiella pneumoniae, Escherichia coli, Staphylococcus aureus, Enterococcus faecalis and Micrococcus luteus, were tested. The highest and broadest activity was shown by M. piperita; however, Ocimum basilicum was inactive against all strains. Essential oils were also evaluated for antidiabetic and anti-acetylcholinesterase activities. The IC₅₀ values of A. herba-alba and O. basilicum against α-amylase were respectively 17.76 and 16.32 µg/mL suggesting a powerful anti-diabetic effect comparable to that of acarbose (IC₅₀?=?14.88 µg/mL). R. officinalis, M. piperita and A. absinthium exhibited an interesting acetylcholinesterase inhibition with IC₅₀ equal to 22, 24 and 58 µg/mL respectively.     

Formation of nanostructured silicon surfaces by stain etching

In this work, we report the fabrication of ordered silicon structures by chemical etching of silicon in vanadium oxide (V₂O₅)/hydrofluoric acid (HF) solution. The effects of the different etching parameters including the solution concentration, temperature, and the presence of metal catalyst film deposition (Pd) on the morphologies and reflective properties of the etched Si surfaces were studied. Scanning electron microscopy (SEM) was carried out to explore the morphologies of the etched surfaces with and without the presence of catalyst. In this case, the attack on the surfaces with a palladium deposit begins by creating uniform circular pores on silicon in which we distinguish the formation of pyramidal structures of silicon. Fourier transform infrared spectroscopy (FTIR) demonstrates that the surfaces are H-terminated. A UV-Vis-NIR spectrophotometer was used to study the reflectance of the structures obtained. A reflectance of 2.21% from the etched Si surfaces in the wavelength range of 400 to 1,000 nm was obtained after 120 min of etching while it is of 4.33% from the Pd/Si surfaces etched for 15 min.     

Application of the Resources Model to the Supervision of an Automated Process

The present study was designed to ascertain how far flagging up potential errors can improve the automatic interpretation of technical documents. We used the resources model to analyze the supervised retro-conversion of architectural floor plans from the perspective of distributed cognition. Results showed that automated assistance helps users to correct errors spotted by the system and saves time. Surprisingly, they also showed that flagging up possible errors may make users less effective in identifying and correcting errors that go unnoticed by the system. Responses to a questionnaire probing the participants’ confidence in the system suggested that they were so trusting that they lowered their vigilance in those areas that had not been signaled by the system, leading to the identification of fewer errors there. Thus, although the participants’ confidence in the automated assistance system led to improved performances in those areas it highlighted, it also meant that areas to which the system did not draw attention were less thoroughly checked.     

A comparative study of the removal of trivalent chromium from aqueous solutions by bentonite and expanded perlite

Local bentonite and expanded perlite (Morocco) have been characterised and used for the removal of trivalent chromium from aqueous solutions. The kinetic study had showed that the uptake of Cr(III) by bentonite is very rapid compared to expanded perlite. To calculate the sorption capacities of the two sorbents, at different pH, the experimental data points have been fitted to the Freundlich and Langmuir models, respectively, for bentonite and expanded perlite. For both sorbents the sorption capacity increases with increasing the pH of the suspensions. The removal efficiency has been calculated for both sorbents resulting that bentonite (96% of Cr(III) was removed) is more effective in removing trivalent chromium from aqueous solution than expanded perlite (40% of Cr(III) was removed). In the absence of Cr(III) ions, both bentonite and expanded perlite samples yield negative zeta potential in the pH range of 2-11. The changes of expanded perlite charge, from negative to positive, observed after contact with trivalent chromium(III) solutions was related to Cr(III) sorption on the surface of the solid. Thus, it was concluded that surface complexation plays an important role in the sorption of Cr(III) species on expanded perlite. In the case of bentonite, cation-exchange is the predominate mechanism for sorption of trivalent chromium ions, wherefore no net changes of zeta potential was observed after Cr(III) sorption. X-ray photoelectron spectroscopy measurements, at different pH values, were also made to corroborate the zeta potential results.