An efficient aromatization of 1,3,5‐trisubstituted 2‐pyrazolines to their corresponding pyrazoles has been performed by tricholoroisocyanuric acid [TCCA] under microwave irradiation in excellent yields. It has been observed that the reactions occur more rapidly under microwave irradiation conditions, and the amount of the reagent TCCA consumed is considerably reduced to afford better yields when compared with conventional thermal conditions at the same temperature. 相似文献
1,3,5‐Trisubstituted pyrazolines to pyrazoles are carried out efficiently in the presence of new reagents N,N,N′, N′‐tetrabromo‐benzene‐1,3‐disulfonylamine [TBBDA] and N,N′‐dibromo‐N,N′‐1,2‐ethanediylbis‐(p‐toluenesulphonamide) [BNBTS] in solvent‐free conditions with catalytic amounts of SiO2 under microwave irradiation in high yields. 相似文献
Power transformers aging is investigated by a chemical aging model and an electrical-thermal aging model. In the chemical aging model, oil and cellulose chemical status are considered, but transformer load is not considered, while in the electrical-thermal model, only the effects of load and hotspot temperature are considered. The primary purpose of this paper is to combine both aging models to achieve a transformer life management model that considers the effect of all chemical parameters and the transformer load current simultaneously. Combining one chemical and one electrical-thermal aging model to reach a life management model for the transformer means that the remaining life of the transformer is first estimated using the chemical aging model by the provided equations for pre-exponential factor and activation energy in this paper. For this estimation, after conducting scientific studies, including experimental studies and computation on measurement results, an empirical mathematical equation will be presented to calculate the activation energy. Then using the presented equation, the remaining life will be estimated more accurately. Then, in the next step, this estimated life will be used in the electrical-thermal aging model and finally, a hotspot temperature will be calculated for the transformer. Finally, using the proposed hotspot temperature value and presented equations in this paper, a load current will be determined, which is recommended that the transformer load should not exceed that value. Finally, the proposed equation for activation energy calculation and the presented life management model validation will be verified using some transformers measurement results.
This paper is concerned with a reverse obnoxious (undesirable) center location problem on networks in which the aim is to modify the edge lengths within an associated budget such that a predetermined facility location on the underlying network becomes as far as possible from the existing customer points under the new edge lengths. Exact combinatorial algorithms with linear time complexities are developed for the problem under the weighted rectilinear norm and the weighted Hamming distance. Furthermore, it is shown that the problem with integer decision variables can also be solved in linear time. 相似文献
We demonstrate herein the synthesis of a new copper Schiff base complex immobilized on silica‐coated Fe3O4 nanoparticles. The structure and composition of this magnetic nanocatalyst were analyzed using Fourier transform infrared (FT‐IR), X‐ray powder diffraction (XRD), vibrating sample magnetometry (VSM), scanning electron microscopy (SEM), energy dispersive X‐ray (EDX) and inductively coupled plasma atomic emission spectroscopy (ICP‐AES). This nanocomposite was found to be an efficient nanocatalyst for the synthesis of polysubstituted pyrrole derivatives and the products were isolated with high turnover number (TON) and high to excellent yields. Among the new synthesized polysubstituted pyrrole derivatives, we explored the first computational and experimental binding study of methyl 1‐benzyl‐4‐(furan‐2‐yl)‐2‐methyl‐1H‐pyrrole‐3‐carboxylate (SP‐10) with calf thymus deoxyribonucleic acid (ct‐DNA), suggesting their application as potential anticancer activity. In addition, the binding modes of SP‐10 with DNA and human serum albumin (HSA) were verified by molecular docking technique. 相似文献
An SO3H‐functionalized nano‐MGO‐D‐NH2 catalyst has been prepared by multi‐functionalization of a magnetic graphene oxide (GO) nanohybrid and evaluated in the synthesis of tetrahydrobenzo[b]pyran and pyrano[2,3‐d]pyrimidinone derivatives. The GO/Fe3O4 (MGO) hybrid was prepared via an improved Hummers method followed by the covalent attachment of 1,4‐butanesultone with the amino group of the as‐prepared polyamidoamine‐functionalized MGO (MGO‐D‐NH2) to give double‐functionalized magnetic nanoparticles as the catalyst. The prepared nanoparticles were characterized to confirm their synthesis and to precisely determine their physicochemical properties. In summary, the prepared catalyst showed marked recyclability and catalytic performance in terms of reaction time and yield of products. The results of this study are hoped to aid the development of a new class of heterogeneous catalysts to show high performance and as excellent candidates for industrial applications. 相似文献
Summary. The structures and relative energies of fundamental conformations of cyclopenta-1,2,3-triene, cyclohexa-1,2,3-triene, cylohepta-1,2,3-triene,
cycloocta-1,2,3-triene, and cyclonona-1,2,3-triene were calculated by the HF/6-31G* and MP2/6-31G*//HF/6-31G* methods. Only a C2v symmetric planar conformation is available to cyclopenta-1,2,3-triene and cyclohexa-1,2,3-triene. The calculated energy barrier
for ring inversion of the CS symmetric puckerd conformation of cyclohepta-1,2,3-triene via the planar geometry is 62.2 kJ·mol−1. The C2 symmetric twist conformation of cycloocta-1,2,3-triene was calculated to be the most stable one. Conformational racemization
of the twist form takes place via the CS symmetric half-chair geometry, which is by 60.8 kJ·mol−1 less stable than the twist conformer. The CS symmetric chair and unsymmetrical twist-boat conformations of cyclonona-1,2,3-triene were calculated to have similar energies;
their interconversion takes place via an unsymmetrical low-energy (18.4 kJ·mol−1) transition state. The twist (C2) and boat (CS) geometries of cyclonona-1,2,3-triene are higher in energy by 13.2 and 33.9 kJ·mol−1, respectively. Ring inversion in chair and twist-boat conformations takes place via a twist form as intermediate and requires 33.6 kJ·mol−1.
Corresponding author. E-mail: isayavar@yahoo.com
Received March 25, 2002; accepted April 4, 2002 相似文献