Copper Immobilization on Fe3O4@Agar: An Efficient Superparamagnetic Nanocatalyst for Green Ullmann-Type Cross-Coupling Reaction of Primary and Secondary Amines with Aryl Iodide Derivatives

Journal of Inorganic and Organometallic Polymers and Materials - Immobility of copper on magnetic nanoparticles was performed using surface rectification of Fe3O4 with Agar. The magnetic...     

The effect of rice bran on physicochemical,textural and glycaemic properties of ready-to-eat extruded corn snacks

In this work, corn extruded snack products were enriched with rice bran (RB) at 10% and 15%. A co-rotating twin-screw extruder was used with a feed moisture content of 16 g 100 g⁻¹, a screw speed of 240 r.p.m. and four heating sections of the barrel (100, 140, 150 and 150 °C). The impact of RB inclusion on nutritional profile, starch digestion, physicochemical and textural properties of snack products was evaluated. RB-enriched extrudates showed a lower specific volume and hardness and higher crispness than control. RB at 15% gave a water-holding capacity lower than control. Rheology of extrudate dispersions indicated an increase in elastic interactions and solid-like behaviour with RB supplementation. Differences in rheological properties resulted in attenuation of predictive glycaemic response for RB-enriched snacks.     

Evolving an Accurate Decision Tree-Based Model for Predicting Carbon Dioxide Solubility in Polymers

Solubility is one of the most indispensable physicochemical properties determining the compatibility of components of a blending system. Research has been focused on the solubility of carbon dioxide in polymers as a significant application of green chemistry. To replace costly and time-consuming experiments, a novel solubility prediction model based on a decision tree, called the stochastic gradient boosting algorithm, was proposed to predict CO₂ solubility in 13 different polymers, based on 515 published experimental data lines. The results indicate that the proposed ensemble model is an effective method for predicting the CO₂ solubility in various polymers, with highly satisfactory performance and high efficiency. It produces more accurate outputs than other methods such as machine learning schemes and an equation of state approach.     

Characterization,in vitro bioactivity and biological studies of sol-gel-derived TiO2 substituted 58S bioactive glass

Bioactive glasses (BGs) have been used for bone formation and bone repair processes in recent years. This study investigated the titanium substitution effect on 58S BGs (Ti-BGs) 60SiO₂-(36 − X)CaO-4P₂O₅-XTiO₂ (X = 0, 3, and 5 mol.%) prepared by the sol-gel technique, and the main goal was to find the optimum amount of titanium in Ti-BGs. Synthesized BGs, which were investigated after immersion in simulated body fluid (SBF), were tested by X-ray diffraction (XRD) analysis, Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy. Moreover alkaline phosphate (ALP) activity, 3-(4,5dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay, and antibacterial studies were employed to investigate the biological properties of Ti-BGs. According to the FTIR and XRD test results, hydroxyapatite (HA) formation on Ti-BGs surfaces was confirmed. Meanwhile, the presence of 5 mol.% compared to 3 mol.% increased the HA grain distribution and their size on the Ti-BGs surface. Additionally, MTT and ALP results confirmed that the optimal amount of titanium substitution in BG was 5 mol.%. Since 5 mol.% Ti incorporated BG (BG-5) had the highest biocompatibility level, antibacterial properties, maximum cell proliferation, and ALP activity among the synthesized Ti-BGs, it is presented as the best candidate for further in vivo investigations.     

CdSnO3/SnD NPs as a Nanocatalyst for Carbonylation of o-Phenylenediamine with CO2

Catalysis Letters - In order to carbonize o-phenylenediamine with CO2, an effective approach was used with UV light irradiation by Sn(IV) doping DFNS (SnD) supported CdSnO3 as a catalyst...     

Theoretical kinetic study of the reaction between dimethyl disulfide and OH radicals

The potential energy profile of the reaction between dimethyl disulfide and OH^? radicals is explored by utilizing ab initio and hybrid meta density functional theory methods. Having the energies and structural data of the stationary points, statistical rate theories, such as transition state theory and variable reaction coordinate-transition state theory, are employed to compute the overall rate constants, and discuss the mechanism and product channels. On the basis of the calculations, the overall rate coefficient is predicted to be 2.49?×?10^?10?cm³?molecule^?1?s^?1 at 298?K. It is found that in the most favorable pathway, the reaction proceeds via formation of the relatively unstable intermediate CH₃S^?(OH)SCH₃ decomposing rapidly to yield CH₃S^?+CH₃SOH.     

Thermal Bending Analysis of Doubly Curved Composite Laminated Shell Panels with General Boundary Conditions and Laminations

Thermal bending analysis of doubly curved laminated shell panels with general boundary conditions and laminations is presented. The equations of equilibrium are derived in the form of two coupled sets of ordinary differential equations based on a general shell theory and solved through the state-space approach in a repeated manner. It is depicted that the results of the present method are in great agreement with analytical solutions. Cylindrical shell panels with general boundary conditions and laminations, where no analytical solution is available, are solved. It is found that the present method exhibits a high convergence rate as well as presenting accurate results in all cases.     

Selectivity Enhancement to the Exclusive Formation of Ethyltoluenes and Hydrogen During Dehydroalkylation of Toluene with Ethane

The dehydroalkylation of toluene with ethane to the isomeric ethyltoluenes was studied on 0.4Pt/H-ZSM-5 at varying contact times (1/WHSV). At a high contact time of 1.0 h, toluene disproportionation and hydrogenolysis reactions dominate, resulting in low selectivity to the desired ethyltoluenes via the alkylation reaction. However, at a low contact time of 0.12 h side reactions are eliminated, resulting in maximum selectivities to the kinetically favored ethyltoluenes and hydrogen. Results at high selectivities to ethyltoluenes provide significant insight into reaction pathways.     

Reconstruction of reflectance spectra using weighted principal component analysis

The weighted principal component analysis technique is employed for reconstruction of reflectance spectra of surface colors from the related tristimulus values. A dynamic eigenvector subspace based on applying certain weights to reflectance data of Munsell color chips has been formed for each particular sample and the color difference value between the target, and Munsell dataset is chosen as a criterion for determination of weighting factors. Implementation of this method enables one to increase the influence of samples which are closer to target on extracted principal eigenvectors and subsequently diminish the effect of those samples which benefit from higher amount of color difference. The performance of the suggested method is evaluated in spectral reflectance reconstruction of three different collections of colored samples by the use of the first three Munsell bases. The resulting spectra show considerable improvements in terms of root mean square error between the actual and reconstructed reflectance curves as well as CIELAB color difference under illuminant A in comparison to those obtained from the standard PCA method. © 2008 Wiley Periodicals, Inc. Col Res Appl, 33, 360–371, 2008