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571.
Haiahem Sakina Bouhadiba Abdelaziz Nouar Leila Djilani Imene Madi Fatiha Khatmi Djamel Eddine 《Journal of inclusion phenomena and macrocyclic chemistry》2012,74(1-4):191-200
The inclusion process involving β-cyclodextrin (β-cyclodextrin-CD) and phenylurea herbicide metobromuron (MB) has been investigated by using the MM+, PM3, B3LYP, HF, ONIOM2 and NBO methods. The binding and complexation energies for both orientations considered in this research are reported. The geometry of the most stable complex shows that the aromatic ring is deeply self-included inside the hydrophobic cavity of β-CD also an intermolecular hydrogen bond is established between host and guest molecules. This suggests that hydrophobic effect and hydrogen bond play an important role in the complexation process. The statistical thermodynamic calculations by PM3 demonstrate that 1:1?MB/β-CD complex is favored by a negative enthalpy change. Moreover, NBO calculations proved also that are a very useful means to quantify the interaction energies of the hydrogen bonds. 相似文献
572.
A multicomponent reaction for the synthesis of fused azo‐linked pyrazolo[4,3‐e]pyridines from 3‐amino‐5‐methylpyrazole, indan‐1,3‐dione and synthesized azo‐linked aldehydes using nano‐Fe3O4 as an effective and reusable catalyst is reported. The present methodology offers several advantages, such as a simple procedure with an easy work‐up, short reaction times, high yields, and the absence of any volatile and hazardous organic solvents. 相似文献
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574.
Seyed Ali HOSSEINI Mohammad Taghi SADEGHI Abdolali ALEMI Aligholi NIAEI Dariush SALARI Leila KAFI-AHMADI 《催化学报》2010,31(7):747-750
Nanostructured LaFeO3 and substituted LaZnxFe1-xO3 (x = 0.01, 0.05, 0.1, 0.2, and 0.3) perovskites were synthesized by the sol-gel auto-combustion method and used in the catalytic combustion of toluene. Their structures and surface properties were investigated by X-ray diffraction, Fourier transmission infrared spectroscopy, BET surface area, and scanning electron microscopy. Characterization data revealed that the total insertion of zinc into LaFeO3 takes place when x ≤ 0.1. However, ZnO segregation occurs to some extent, especially at x > 0.1. The performance of these perovskites was evaluated by toluene combustion. The catalytic activity of the catalysts increased substantially with an increase in zinc substitution. These results can be attributed to the cooperative effect between LaZnxFe1-xO3 and the zinc oxide phases. The relative concentration of these phases determines their oxygen activation ability and reactivity. 相似文献
575.
Hadi Beiginejad Ahmad Bagheri Leila Safdari Yekta Z. B. Nojini 《Journal of inclusion phenomena and macrocyclic chemistry》2010,67(3-4):247-252
Thermodynamics on inclusion complexation of β-cyclodextrin (β-CD) with n-alkylpyridinium chlorides (C n PC, n = 12, 14, 16) were measured by conductivity technique to evaluate the effects of chain length of C n PC and temperature. The data obtained indicate that inclusion complexes S(CD) and S(CD)2 had formed between surfactant and β-CD in aqueous solution. Investigation showed that the K 1 (first equilibrium constant) for S(CD) formation is greater than K 2 (second equilibrium constant) for S(CD)2 formation. It has been found that C12PC forms only the 1:1 complex, while C14PC and C16PC form 1:1 and 1:2 complexes. Thermodynamic parameters of the complexation, i.e. ΔG°, ΔH° and ΔS° have been also calculated. The large values of ΔG° indicate that complexation between surfactant and β-CD is very favorable. 相似文献
576.
Leila Goudarzi 《代数通讯》2013,41(6):2258-2266
D. A. Towers introduced the notion of ideal index of a maximal subalgebra of a Lie algebra, and used it to analyze the influence of maximal subalgebras on the structure of a finite dimensional Lie algebras. In this article, we generalize the ideal index from maximal subalgebras to all subalgebras, and obtain some new characterizations of solvable and supersolvable Lie algebras by the ideal indices of some certain subalgebras. 相似文献
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579.
Partial last square regression (PLS) and artificial neural network (ANN) combined to FTIR-ATR and FTNIR spectroscopies have been used to design calibration models for the determination of methyl ester content (%, w/w) in biodiesel blends (methyl ester + diesel). Methyl esters were obtained by the methanolysis of soybean, babassu, dende, and soybean fried oils. Two sets of samples have been used: Group I, binary mixtures (diesel + one kind of methyl ester), corresponding to 96 biodiesel blends (0–100%, w/w), and Group II, quaternary mixtures (diesel + three types of methyl esters), corresponding to 60 biodiesel blends (0–100%, w/w). The PLS results have shown that the FTNIR model for Group I is more precise and accurate (±0.02 and ±0.06%, w/w). In the case of Group II the PLS models (FTIR-ATR and FTNIR) have shown the same accuracies, while the ANN/FTNIR models has presented better performance than the ANN/FTIR-ATR models. The best accuracy was achieved by the ANN/FTNIR model for diesel determination (0.14%, w/w) while the worthiest was that of dende ANN/FTIR-ATR model (0.6%, w/w). Precisions in Group II analysis ranged from 0.06 to 0.53% (w/w) and coefficients of variation were better than 3% indicating that these models are suitable for the determination of diesel–biodiesel blends composed of methyl esters derived from different vegetable oils. 相似文献
580.
Hosseiny Davarani SS Nematollahi D Shamsipur M Najafi NM Masoumi L Ramyar S 《The Journal of organic chemistry》2006,71(5):2139-2142
The electrooxidation of 2,3-dimethylhydroquinone (1) has been studied in the presence of 2-phenyl-1,3-indandione (3a), 3-hydroxy-1H-phenalen-1-one (3b), and 2-chloro-5,5-dimethyl-1,3-cyclohexanedione (3c) as CH acid nucleophiles in water/acetonitrile (85/15) solution, using cyclic voltammetry and controlled-potential coulometry. The results indicate that p-benzoquinone, generated by electrochemically driven oxidation of the 2,3-dimethylhydroquinone (1), is scavenged by 3a-c, to give related products (5a, 9b, 8c) via various electrochemical mechanisms. The electrochemical syntheses of 5a, 9b, and 8c have been successfully performed in one-pot in an undivided cell using an environmentally friendly method with high atomic economy. 相似文献