The regiochemistry of 1,3-dipolar cycloaddition reactions of C-phenyl carbamoyl-N-phenyl nitrone with some dialkyl-substituted 2-benzylidenecyclopropane-1,1-dicarboxylates as dipolarophile was investigated using density functional theory-based reactivity indexes and activation energy calculations at B3LYP/6-31G(d) level of theory. Analysis of the geometries and bond orders at the TS structures associated with the different reaction pathways shows that these 1,3-dipolar cycloaddition reactions occur via an asynchronous concerted mechanism. Analysis of the local electrophilicity and nucleophilicity indexes based on Parr functions only for reaction between 1 + 2a and based on Fukui functions only for 1 + 2b gives correct regioselectivity. The theoretical results obtained in the work clearly predict the regiochemistry of the isolated cycloadducts and agree to experimental results. 相似文献
In this work, electrophoresis was successfully used to separate three different polymer-coated magnetic iron oxide nanoparticles with similar sizes (nominally 50 nm) using high-pH borate buffer system. The coating polymers were dextran, polyethylene glycol, or carboxymethyl dextran. The results showed that the migration time of carboxymethyl dextran coated nanoparticles is the longest due to relatively more negative surface charges. Investigation of the effects of buffer concentration, pH, electric field strength and the capillary temperature, on electrophoretic properties of samples was also carried out. The results showed that pH, electric field strength and the capillary temperature had indirect relations with both of the migration time and the separation resolution of three different polymer-coated nanoparticles while the buffer concentration had a direct relation. 相似文献
This study evaluated the correlation between radioactivity concentrations and soil properties, and determined the total annual effective dose near an underground geologic repository for transuranic wastes. Soil samples were collected from two historical monitoring areas (Near Field and Cactus Flats). Alpha-particle spectrometry was used for the analysis of 241Am, 239+240Pu and 238U, while 137Cs, 40K, 232Th and 226Ra were detected by gamma ray spectrometry. Higher radioactivity concentrations and stronger positive correlations between radioactivity concentrations and soil properties were obtained in Cactus Flats compared to Near Field. The total annual effective dose was lower than the recommended limit of 1 mSv y??1.
Nanoparticle spray deposition finds numerous applications in pharmaceutical, electronics, manufacturing, and energy industries and has shown great promises in engineering the functional properties of the coated parts. However, current spray deposition systems either lack the required precision in controlling the morphology of the deposited nanostructures or do not have the capacity for large-scale deposition applications. In this study, we introduce a novel spray system that uses supercritical CO2 to assist the atomization process and create uniform micron-size water droplets that are used as cellulose nanocrystal (CNC) carriers. CNCs are selected in this study as they are abundant, possess superior mechanical properties, and contain hydroxyl groups that facilitate interaction with neighboring materials. We fundamentally investigate the effect of different process parameters, such as injection pressure, gas-to-liquid ratio, the axial distance between the nozzle and substrate, and CNC concentration on the final patterns left on the substrate upon evaporation of water droplets. To this end, we show how tuning process parameters control the size of carrier droplets, dynamics of evaporation, and self-assembly of CNCs, which in turn dictate the final architecture of the deposited nanostructures. We will particularly investigate the morphology of the nanostructures deposited after evaporation of micron-size droplets that has not been fully disclosed to date. Different characterization techniques such as laser diffraction, polarized microscopy, and high-resolution profilometry are employed to visualize and quantify the effect of each process parameter. Numerical simulations are employed to inform the design of experiments. Finally, it is shown that the fabricated nanostructures can be engineered based on the size of the carrier droplets controlled by adjusting spray parameters and the concentration of nanoparticles in the injected mixture. Process parameters can be selected such that nanoparticles form a ring, disk, or dome-shaped structure. Moderate operational conditions, simplicity, and time efficiency of the process, and use of abundant and biodegradable materials, i.e., water, CNCs, and CO2 promote the scalability and sustainability of this method.
Cellulose - There has been significant interest over recent years in the production and application of sustainable and green materials. Among these, nanocellulose has incurred great interest... 相似文献
In this work, the isolation step in the linear ion trap was performed using different “q values” conditions at a low collision-induced dissociation (CID) energy leading to the parent ion resolution improvements, reasonably due to better ion energy distribution. According to the results, we obtained a greater resolution and mass accuracy operating in both traditional electrospray and low voltage ionization near the q value = 0.778 and with a CID energy of 10%. This effect was evaluated with low-molecular-mass compounds (skatole and arginine). The proposed optimization yielded a superior instrument performance without adding technological complexity to mass spectrometry analyses. 相似文献
Journal of Cluster Science - This work reports on the outcome of the calcination of gold nanoparticles incorporated polyacrylonitrile nanofibers in air which results in the formation of gold... 相似文献
Chemistry of Heterocyclic Compounds - In this work, new pyrazole derivatives were prepared by one-pot three-component reaction emloying symmetric and asymmetric 1,2-disulfonyl-hydrazines,... 相似文献
We investigate the horizon structure and ergosphere in a rotating Bardeen regular black hole, which has an additional parameter (g) due to the magnetic charge, apart from the mass (M) and the rotation parameter (a). Interestingly, for each value of the parameter g, there exists a critical rotation parameter (\(a=a_{E}\)), which corresponds to an extremal black hole with degenerate horizons, while for \(a<a_{E}\) it describes a non-extremal black hole with two horizons, and no black hole for \(a>a_{E}\). We find that the extremal value \(a_E\) is also influenced by the parameter g, and so is the ergosphere. While the value of \(a_E\) remarkably decreases when compared with the Kerr black hole, the ergosphere becomes thicker with the increase in g. We also study the collision of two equal mass particles near the horizon of this black hole, and explicitly show the effect of the parameter g. The center-of-mass energy (\(E_\mathrm{CM}\)) not only depend on the rotation parameter a, but also on the parameter g. It is demonstrated that the \(E_\mathrm{CM}\) could be arbitrarily high in the extremal cases when one of the colliding particles has a critical angular momentum, thereby suggesting that the rotating Bardeen regular black hole can act as a particle accelerator. 相似文献
The influence of self-fields on the cyclotron maser instability in a hollow electron beam propagating parallel to a uniform axial magnetic field B0êz in a dielectric loaded waveguide is investigated. The theoretical analysis is carried out within the framework of linearized Vlasov-Maxwell equations. It is assumed that the beam is thin with the radial thickness much smaller than the beam radius. A new dispersion relation for azimuthally symmetric electromagnetic perturbation is derived and analyzed numerically. The influence of self-fields on the cyclotron maser instability in a dielectric loaded waveguide for different dielectric medium is studied. It is found that unlike the hollow waveguide the growth rate is increased by increasing self-fields. The instability band width decreases due to the increasing self-fields. The maximum growth rate increases gradually as self-fields increase as regards a different dielectric medium. 相似文献