A remarkably efficient procedure for the synthesis of styrylcyclohex-2-enone derivatives at room temperature is described
using a mild reaction medium consisting of lithium perchlorate and N-(trimethylsilyl)diethylamine. Several compounds of this class are synthesized conveniently and rapidly. Spectroscopic and
X-ray diffraction experiments confirm the proposed structures. 相似文献
This research presents calculations and computation of two anticoagulant derivatives electrode potentials in methanol. For this purpose, the ab initio molecular orbital calculations (HF) and density functional theory (DFT) together with the 6-31G(d) basis set were utilized. The calculated values were compared with the experimental values obtained by linear sweep voltammetry. The observed and the calculated changes in the reduction potential of the anticoagulant derivatives differed from those of the reference compound (catechol), being less than 20 mV. In this way, a method was provided, by which the reduction potentials of the related molecules could be predicted very accurately. Actually, the resulting data illustrated that the method was likely to be useful for the prediction of biomolecules electrode potentials in different aprotic solvents. The bond lengths, bond angles and dipole moment of the studied compounds were calculated in two different solvents and the solvent effects were discussed. 相似文献
A conductance study concerning the interaction between cationic organic ammonium ions amantadine, rimantadine, and aminocyclohexane with 18-crown-6 (18C6), dicyclohexyl-18-crown-6 (DC18C6) and cryptand C222 in acetonitrile solution has been carried out at different temperatures. The stability constants of the resulting 1:1 cornplexes at various temperatures were determined from the computer fitting of molar conductance-mole ratio data. The enthalpy and entropy of complexation reactions were evaluated from the temperature dependence of the formation constants. The influences of different parameters such as steric hindrance of organic amines and macrocycles, conformations of the free and complexed ligands, and solvent-ligand interaction on the thermodynamic data are discussed. 相似文献
Quantum-dot Cellular Automata (QCA) is emerging nanotechnology that can represent binary information using quantum cells without current flows. It is known as a promising alternative of Complementary Metal–Oxide Semiconductor (CMOS) to solve its drawbacks. On the other hand, the shift register is one of the most widely used practical devices in digital systems. Also, QCA has the potential to achieve attractive features than transistor-based technology. However, very small-scale and Nano-fabrication limits impose a hurdle to the design of QCA-based circuits and necessitate for fault-tolerant analysis is appeared. Therefore, the aim of this paper is to design and simulate an optimized a D-flip-flop (as the main element of the shift register) based on QCA technology, which is extended to design an optimized 2-bit universal shift register. This paper evaluates the performance of the designed shift register in the presence of the QCA fault. Collected results using QCADesigner tool demonstrate the fault-tolerant feature of the proposed design with minimum clocking and area consumption.
In the framework of the single-field slow-roll inflation, we derive the Hamiltonian of the linear primordial scalar and tensor perturbations in the form of time-dependent harmonic oscillator Hamiltonians. We find the invariant operators of the resulting Hamiltonians and use their eigenstates to calculate the adiabatic Berry phase for sub-horizon modes in terms of the Lewis–Riesenfeld phase. We conclude by discussing the discrepancy in the results of Pal et al. (2013) [21] for these Berry phases, which is resolved to yield agreement with our results. 相似文献
Two zinc(II) complexes [ZnI2((2,3-MeO-ba)2en)] (1) and [ZnCl2((2,3-MeO-ba)2en)] (2), with the symmetrical bidentate Schiff-base ligand (2,3-MeO-ba)2en [N,N′-bis(2,3-dimethoxybenzylidene)-1,2-diaminoethane] have been synthesized and characterized by elemental analyses (CHN), FT-IR
and 1H-NMR spectroscopy. The thermal behaviors of these complexes were studied using thermogravimetry in order to evaluate their
thermal stability and thermal decomposition pathways. The crystal structure of [ZnI2((2,3-MeO-ba)2en)] (1) was determined from single-crystal X-ray diffraction. The coordination polyhedron about the zinc(II) center in the complex
1 is best described as a distorted tetrahedron. 相似文献
Two new unsymmetrical copper(II) Schiff base complexes, [CuLn(py)]ClO4 (n = 1, 2) in which Ln represents a tridentate N2O type Schiff base ligand, were synthesized. Lns were derived from monocondensation of meso-1,2-diphenyl-1,2-ethylenediamine with salicylaldehyde or 3-methoxysalicylaldehyde. The reaction between [CuLn(py)]ClO4 and other salicylaldehyde derivatives resulted in new N2O2 unsymmetrical tetradentate CuII complexes, CuL3–6. Crystal structures of [CuL1(py)]ClO4, CuL4, and CuL5 were obtained. These new complexes as well as a series of related symmetrical ones (i.e. CuL7–12) were tested for their in vitro anticancer activity against human liver cancer cell line (Hep-G2) by MTT and apoptosis assay. All of the complexes showed considerable cytotoxic activity against tumor cell lines (IC50 = 5.13–16.24 μg mL?1). The symmetrical CuL7 was the most potent anticancer derivative (IC50 = 5.13 μg mL?1) compared to the control drug 5-FU (IC50 = 5.4 μg mL-1, p < 0.05). Flow cytometry experiments showed that the copper derivatives especially [CuL2(py)]ClO4 and CuL7 induced more apoptosis on Hep-G2 tumor cell lines compared to 5-FU. 相似文献
A novel nanocatalyst was developed based on covalent surface functionalization of MCM‐41 with polyethyleneimine (PEI) using [3‐(2,3‐Epoxypropoxy)propyl] trimethoxysilane (EPO) as a cross‐linker. Amine functional groups on the surface of MCM‐41 were then conjugated with iodododecane to render an amphiphilic property to the catalyst. Palladium (II) was finally immobilized onto the MCM‐41@PEI‐dodecane and the resulted MCM‐41@aPEI‐Pd nanocatalyst was characterized by FT‐IR, TEM, ICP‐AES and XPS. Our designed nanocatalyst with a distinguished core‐shell structure and Pd2+ ions as catalytic centers was explored as an efficient and recyclable catalyst for Heck and oxidative boron Heck coupling reactions. In Heck coupling reaction, the catalytic activity of MCM‐41@aPEI‐Pd in the presence of triethylamine as base led to very high yields and selectivity. Meanwhile, the MCM‐41@aPEI‐Pd as the first semi‐heterogeneous palladium catalyst was examined in the C‐4 regioselective arylation of coumarin via the direct C‐H activation and the moderate to excellent yields were obtained toward different functional groups. Leaching test indicated the high stability of palladium on the surface of MCM‐41@aPEI‐Pd as it could be recycled for several runs without significant loss of its catalytic activity. 相似文献