Divalent Mn, Ni, Zn, and trivalent La complexes of H3L ligand [N’,2-bis((Z)-2-oxoindolin-3-ylidene)hydrazine-1 carbohydrazide] were synthesized and characterized via diverse spectroscopic methods (FT-IR, NMR, electronic, PXRD, and GC-MS), molar conductance and magnetic susceptibility measurements. The different ways of binding for the H3L ligand with metal ions were inferred, as the H3L ligand acted in mono-negative N2O tridentate, mono-negative N2O3 pentadentate, bi-negative N2O3 pentadentate, and tri-negative N2O3 pentadentate manners in coordination to Mn2+, Zn2+, La3+, and Ni2+ metal ions, respectively. DFT modeling was performed using the DMOL3/material studio software, and some of the experimental outcomes were interpreted and authenticated. Electrochemical performance of Mn2+ ions in the existence and absence of H3L ligand was considered via cyclic voltammetry. The corrosion effectiveness of the H3L ligand (inhibitor) to aluminum metal was evaluated, and the molecular dynamic (MD) simulations for adsorption of the H3L inhibitor on Al surface were performed via FORCITE quench code. The isolated compounds were inspected for their antimicrobial (against C. albicans fungi, G+ bacteria S. aureus and B. subtilis, and G? bacteria P. aeruginosa and E. coli), cytotoxic, and antioxidant (ABTS, and SOD) activities. A molecular docking study was performed to give the favorable binding sites for the ligand to E. coli, and S. aureus proteins.
Journal of Inorganic and Organometallic Polymers and Materials - The discharge of industrial waste comprising organic pollutants into aquatic environment induces numerous health risks. Crosslinked... 相似文献
The aim of this work was to optimize the production of a new lipase by a halotolerant bacterial strain Halomonas sp. C2SS100, by means of the response-surface methodology (RSM). The process parameters having the most significant effect on lipase production were identified using the Plackett–Burman screening design-of-experiments. Then, Box–Behnken design was applied to optimize lipase activity and the quadratic regression model of the lipase production was built. Indeed, the lipase yield was increased, and the value obtained experimentally (39 ± 2 U/ml) was very close to the rate predicted by the model (40.3 U/ml). Likewise, optimization of parameters by RSM resulted in 2.78-fold increase in lipase activity. These findings provide the first report on lipase production and optimization by a halotolerant bacterial strain belonging to Halomonas genus. Afterward, the biochemical properties of the produced lipase were studied for apply in oil stains removal. The crude lipase showed a maximum activity at 60°C and at pH ranging from 7 to 10. It displayed an important stability at high temperature, pH, and NaCl. Interestingly, this bacterial lipase exhibited a prominent stability toward some commercial solid and liquid detergents after 30 min of incubation at 50°C. The capability of the crude lipase to eliminate stain was ascertained on polycotton fabric pieces stained with lubricating oil. Whether with the addition of hot water alone or of a commercially available detergent, lipase is able to considerably boost the elimination of oil stains. The actual findings highlight the capacity of Halomonas sp. lipase for energy-efficient biocatalytic application. 相似文献
The elastic properties of single-crystalline erbia (Er2O3) at room temperature have been investigated using resonant ultrasound spectroscopy. The three independent stiffness constants of anisotropic Er2O3 cubic type-C crystals have been measured. The values of the stiffness constants were c 11= 256.4 GPa, c 12= 146.8 GPa, and c 44= 75.2 GPa. From the stiffness constants, the estimated values for dense polycrystalline erbia for Young's modulus, the shear modulus, the bulk modulus, and Poisson's ratio at room temperature were 179 GPa, 67 GPa, 183.3 GPa, and 0.337, respectively. The value of Young's modulus is a minimum along [001] and a maximum along [111]. The value of the shear modulus is independent of the direction in the (001) and (111) planes, whereas it decreases in (11¯0) from 75 GPa along [001] to 55 GPa along [110]. 相似文献
Highly porous free-standing co-poly(vinylidene fluoride)/modacrylic/SiO2 nanofibrous membrane was developed using electrically-assisted solution blow spinning method. The performance and the potential of the membrane as a lithium-ion battery separator were investigated. The addition of modacrylic enhanced the solution spinnability that resulted in defect-free membranes. Moreover, the presence of modacrylic enhanced the dimensional and thermal stabilities, while the addition of hydrophilic SiO2 nanoparticle enhanced both mechanical property and ionic conductivity. Combustion test results illustrated that the presence of modacrylic provide flame retarding property over a set of different polymeric-based membranes. Electrochemical performance results showed that the developed membrane can increase the battery capacity compared with the commercial separator. 相似文献
Over recent years, there has been a clear increase in the frequency of reported flooding events around the world. Gabion structures offer one means of flood mitigation in dam spillways. These types of structures provide an additional challenge to the computational modeller in that flow through the porous gabions must be simulated. We have used a computational model to investigate the flow over gabion stepped spillways. The model was first validated against published experimental results. Then, gabion stepped spillways with four different step geometries were tested under the same conditions in order to facilitate inter-comparisons and to choose the best option in terms of energy dissipation. The results show that normal gabion steps can dissipate more energy than overlap, inclined, and pooled steps. An intensive set of tests with varying slope, stone size, and porosity were undertaken. The location of the inception point and the water depth at this point obtained from this study were compared with those from existing formulae. Two new empirical equations have been derived, on the basis of a regression analysis, to provide improved results for gabion stepped spillways. 相似文献
Heavy oil and extra heavy oil resources comprise about 75% of petroleum resources. The most important characteristic of heavy oils is their viscosity. Consequently, to extract and prepare these kinds of crude oil for use, great emphasis should be put on viscosity. The present study highlights the application of intelligent model named radial basis function (RBF) network optimized by genetic algorithm for estimation of diluted heavy oil viscosity in presence on kerosene. The input parameters of model were temperature and mass fraction of kerosene. The output of model was viscosity of heavy oil. Genetic algorithm was utilized to optimize the tuning parameters of RBF model. The outcomes of this study showed that the proposed model is accurate in estimation of target data. 相似文献