The electronic (energy gap and work function) as well as electrical properties (dipole moment, polarizability, and first hyperpolarizabilities) of the first-row transition metals decorated C24N24 cavernous nitride fullerene were explored using DFT calculations. The transition metals are decorated at N4 cavity of C24N24 fullerene. According to our spin polarized computations, the most stable spin state monotonically increases to sextet for Mn@C24N24 and thereafter dropped off gradually to singlet state for Zn@C24N24 system. The findings demonstrate that transition metals can remarkably decrease the HOMO-LUMO energy gap and work function values up to 63% and 21% of bare C24N24, respectively. As can be seen, when the Sc and Ti metals are located above the N4 cavity of fullerene, systems of enhanced static hyperpolarizabilities (β0) are delivered. These findings might provide an effective strategy to design high performance eletcro-optical materials based on carbon- nitride fullerene. 相似文献
Safety issues of Li-ion batteries imposed by unfavorable thermal behavior accentuate the need for efficient thermal management systems to prevent the runaway conditions. To that end, a hybrid thermal management system is designed and further investigated numerically and experimentally in the present study. The passive cooling system is fabricated by saturating copper foam with paraffin as the phase change material (PCM) and integrated with an active cooling system with alumina nanofluid as the coolant fluid. Results for various Reynolds numbers and different heating powers indicate that the hybrid nanofluid cooling system can successfully fulfill safe operation of the battery during stressful operating conditions. The maximum time in which all PCM field is changed to the liquid phase is defined as the onset of the stressful conditions. Therefore, the start time of stressful conditions at 41 W and Re 420 is increased from 3700 s with nanofluid composed of 1% volume fraction nanoparticles (VF-1%) to 4600 s with nanofluid VF-2% during high current discharge rates. Nanofluid cooling extends the operating time of the battery in comparison with the water-based cooling system with 200-s (nanofluid with volume fraction of 1%) and 900-s (nanofluid with volume fraction of 2%) increases in operating time at Reynolds of 420. Using nanofluid, instead of water, postpones the onset of paraffin phase transition effectively and prolongs its melting time which consequently leads to a decrease in the rate of temperature rise.
An efficient synthesis of aryliminophosphoranes is described. A mixture of an aromatic amine, diethyl azodicarboxylate and triphenylphosphine undergo a Mitsonobu type reaction at ambient temperature in dry dichloromethane to afford aryliminophosphoranes in excellent yields. 相似文献
Type 2 diabetes mellitus is the result of resistance to insulin function along with inadequate insulin secretion, leading to a number of dysfunctions characterized by hyperglycemia, and it is associated with microvascular, macrovascular, and neuropathic complications. There is compelling evidence that the decline in both insulin sensitivity and insulin secretion has a genetic component. In addition, increasing evidence suggests that microRNAs (miRNAs) as key regulators of gene expression play significant roles in insulin production, secretion, and function that regulate the function of insulin-target tissues. The current review demonstrates the candidate genes and the related miRNAs involved in molecular pathogenesis of insulin resistance in type 2 diabetes mellitus. In doing so, it provides an opportunity for more focused investigations that may identify the genes and miRNAs with a role in the pathogenesis of type 2 diabetes mellitus and its treatment. 相似文献
Imidoyl chlorides, generated from isocyanides and acyl chlorides, react with trialkyl phosphites, in a Perkow‐type reaction, to afford 3‐(alkylimino)‐2‐[(dialkyloxyphosphoryl)oxy]acrylates, which undergo a smooth reaction with tosylmethyl isocyanide (TsMIC) to furnish 4‐(alkylamino)‐3‐[(dialkyloxyphosphoryl)oxy]‐5‐[(4‐methylphenyl)sulfonyl]‐3H‐pyrrole‐3‐carboxylates in moderate‐to‐good yields. 相似文献
A novel one-pot, five-component synthesis of 1-(alkylimino)-5,5-dicyano-3a-aryloctahydro-3-oxacyclobuta[cd]pentalene-1a,2,5a,5b(2H,3aH)-tetracarboxylates is described. A mixture of phenacyl bromide, malononitrile, isocyanide, and two equivalents of a dialkyl acetylenedicarboxylate undergoes a novel 1:1:1:2 addition reaction at ambient temperature in absolute ethanol to produce diastereoselectively the title compounds in good yields. 相似文献
Mesoporous CuFe2O4 solid solution nanopowders with high specific surface areas were synthesized by a novel, very simple and inexpensive sol-gel route using propylene oxide as gelation agent, and used as the catalyst in low temperature CO oxidation. The samples were characterized by X-ray diffraction, N2 adsorption-desorption, thermogravimetric/differential thermal analysis, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, and temperature-programmed reduction. The results revealed that the samples have a nanocrystalline structure with crystals in the range of 10 to 25 nm, and that all the catalysts have mesoporous pores. The addition of Cu into iron oxide affected its structural and catalytic properties. The sample containing 15 mol% Cu showed the highest specific surface area and catalytic activity, and showed high catalytic stability in low temperature CO oxidation. 相似文献