In this paper, molecular dynamics simulation methods were used to investigate salt effects on micellization of N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propane-sulfonate (SB12-3) in aqueous solution. It is proved that micelle shapes transform from spherical to prolate spherical shape after 30.0?ns simulation with different NaCl and CaCl2 concentration. By comparison with the eccentricity value without salt addition, SB12-3 shows salt tolerance behaviors due to its unique “inner salt” structure of amphiphilic surfactant. Radial distribution function (RDF), hydrophobic groups solvent accessible surface area (SASA), hydrogen bond, and the deuterium order parameter (SCD) are to elucidate salt effects on SB12-3 micelle formation. The radius of micelle is achieved by the related RDF value and in accordance with other researches. The addition of NaCl and CaCl2 didn’t change the structure of micelle significantly and have little effects on the interactions between SB12-3 and water molecule. By comparison with the results without salt system, SASA of hydrophobic groups is almost the same, and SASA of hydrophilic groups and total molecule fluctuates only slightly. This further indicates that the surface of micelles is more hydrophilic due to the strong interactions between SB12-3 and water molecules. The existence of NaCl and CaCl2 will enhance the hydrophilic interactions. 相似文献
The intermolecular [2 + 2] photocycloaddition of chalcones with 2,3-dimethyl-1,3-butadiene under visible-light irradiation for the synthesis of cyclobutane derivatives has been developed. Without using any photosensitizer, metallic catalyst and solvent, the reaction proceeded with high regioselectivity and moderate to high stereoselectivity. Mild reaction conditions and no additives make the reaction easy to operate. Control experiments and density functional theory (DFT) computations demonstrated that the reaction takes place via visible-light activation of chalcones, which is different from the previously reported [2 + 2] cycloaddition of chalcones. 相似文献
Employing the intermediate derivatization method (IDM), a series of 1,3,4-oxadiazole derivatives containing arylpyrazoloxyl moiety were designed and synthesized. In vitro bioassays showed that these compounds have moderate to significant fungicidal activity against rice sheath blight and sorghum anthracnose. Furthermore, compound 20 is a promising fungicide for further development. 相似文献
A stearic acid-modified Bletilla striata polysaccharides nanoparticle was fabricated. The effects of degree of substitution on its characteristic properties, the interactions of nanoparticles with bovine serum albumin and cell toxicity were assessed. 相似文献
In this study, a novel potential-triggered electroactive composite film consisting of mesoporous silica SBA-15, polyaniline (PANI), and polystyrenesulfonate (PSS) was fabricated in an aqueous electrolyte solution via a facile pulse potentiostatic method. The obtained composite film was characterized by Fourier transform infrared spectroscopy (FT-IR), thermogravimetric (TG) analysis, and scanning electron microscopy (SEM). The ion exchange properties were evaluated in a solution containing 0.1 M Pb(NO3)2 by using an electrochemical quartz crystal microbalance (EQCM) as well as cyclic voltammetry (CV) method. It was found that the uptake/release of Pb2+ ions in/from SBA-15/PANI/PSS composite film was successfully achieved by modulating the redox states of the electroactive composite film, and the composite film exhibited different ion exchange behaviors at different scan rates. Based on these results, the ion exchange mechanism was proposed. Compared with the PANI/PSS composite film, the SBA-15/PANI/PSS composite film had higher adsorption capacity as well as higher selectivity toward Pb2+ ions, which should be attributed to the 3D porous morphology of the composite film with more active sites in the mesoporous SBA-15. Remarkably, the film maintained a high stability over 97% even after 500 successive cycles. It is expected that this SBA-15/PANI/PSS composite film can serve as a promising electroactive material for the effective separation of Pb2+ ions from wastewater.
The efficiency of impregnation methods for making Cu-based solid oxide fuel cells (SOFCs) is qualitatively characterized for the first time through a conformal coating model. It is found that the low-efficiency results from the uneven distribution of Cu instead of the small loading. Most of the Cu deposits form isolated islands, e.g., in a 20.4 vol.% Cu-loaded anode, 81% Cu is isolated from each other. In order to address the limited impregnation efficiency, two different procedures are adopted to fabricate the practical Cu/CeO2 anodes, namely, simultaneous and sequential impregnation procedures. It is found that CeO2 works as a solid dispersant, improving the Cu distribution drastically. Compared to the Cu-only anode, more than a threefold improvement of impregnation efficiency is achieved by both methods. The anode made by the sequential impregnation yields the best performance in CH4 at 700 °C, 170 mW cm?2, which represents an 18% enhancement over that of the simultaneous impregnation, or 340% over the Cu-only anode. These findings demonstrate that it is of importance to optimize the Cu impregnation to yield a highly active anode, and the sequential impregnation method is a promising procedure to break the efficiency-limiting factor and produce a high-performance anode with minimized fabrication effort. 相似文献
A thermo- and pH- dual responsive luminescent hydrogel was successfully constructed by coupling dysprosium-containing polyoxometalates Na9DyW10O36 (DyW10) with the ABA triblock copolymer, where the B block is PEO and the A block is the thermosensitive poly(methoxydi(ethylene glycol) methacrylate-co-N,N-dimethylaminoethyl methacrylate). The complex hybrid underwent a sol-gel phase transition above the lower critical solution temperature (LCST) of the A block. DyW10 was electrostatically encapsulated into the hydrophobic domain of the A block with enhanced photoluminescence. When temperature cooled down, the luminescence could be restored. By addition of acids to protonate the A block, and emission of DyW10 was simultaneously enhanced. Sensitivity of poly(N,N-dimethy laminoethyl methacrylate) (PDMAEMA) to pH also enabled the emission of DyW10/copolymer hydrogel to be reversibly switched by alternating acid/base treatments. 相似文献
This paper discusses the oscillation of solutions for systems of nonlinear neutral type parabolic partial fuctional differential equations of the form 相似文献