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排序方式: 共有193条查询结果,搜索用时 31 毫秒
1.
Molecular Diversity - In this research, QSAR modeling was carried out through SMILES of compounds and on the basis of the Monte Carlo method to predict the antioxidant activity of 79 derivatives of... 相似文献
2.
Najmeh Amirmahani Nosrat O. Mahmoodi Mahboubeh Bahramnejad Neda Seyedi 《中国化学会会志》2020,67(8):1326-1337
During the last two decades, with the development of nanotechnology, various nanomaterials have been designed and generated. Among them, hybrid organic–inorganic nanoparticles as a particular immobilizing carrier of the catalyst active sites have shown an important contribution in the current research studies. This is due to the large area and loads of active sites. This prominent review is focused on the novel various exa about the immobilization of nanoparticles with organic compounds as versatile and efficient catalysts in organic syntheses. 相似文献
3.
Neda Choodari Milani Yazdan Maghsoud Mahdieh Hosseini Abouzar Babaei Hamidreza Rahmani Stephen Mark Roe Khodayar Gholivand 《应用有机金属化学》2020,34(4):e5526
Seven novel complexes (C1–C7) were synthesized by the interaction between Cu(I) metal cation, L1, L2, L3, X and PPh3, where L1–L3 are derivatives of ((pyridine-2-ylmethylene)amino)phenol imine ligands and X = Cl−, Br−, I−, NCS−. All the complexes were characterized using infrared, 1H NMR and 31P NMR spectroscopies. The crystal structures of C1–C7 were also determined using single-crystal X-ray diffraction. The organization of the crystal structures and the intermolecular interactions are discussed. The supramolecular assemblies are driven by cooperative π…π interactions and hydrogen bonds, followed by CH…π linkages. The potential anticancer effect of C1–C7 was assessed for human glioblastoma cells using several anticancer experiments, which showed that these complexes have marked anticancer property against U87 cells. It was also found that the minimum and maximum anticancer effects are shown by C3- and C4-treated samples, respectively. Furthermore, theoretical approaches were used to investigate the nature of metal–ligand interactions which suggest a closed-shell and electrostatic character for Cu…N, Cu…P and Cu…X bonds. 相似文献
4.
Zahra Jafari Chermahini Alireza Najafi Chermahini Hossein A. Dabbagh Behzad Rezaei Neda Irannejad 《Journal of the Iranian Chemical Society》2017,14(7):1549-1556
Di(1H-tetrazol-5-yl)methane is employed as a new electron acceptor group in the synthesis of two metal-free organic dyes containing triphenylamine donor group. Dye-sensitized nanocrystalline TiO2 solar cell (DSSC) applying these novel dyes is constructed for consideration of their photovoltaic properties. The electronic properties of the dyes are also considered with the aid of theoretical calculations. The DSSC constructed from 4-(2,2-di(1H-tetrazol-5-yl)vinyl)-N,N-diphenylaniline (T1) shows a short-circuit photocurrent density of 13.38 mA cm?2, an open circuit voltage of 578 mV, and a fill factor of 0.54, with a resulted solar energy-to-electricity conversion efficiency of 4.18% under simulated 1 sun irradiation (100 mW cm?2). This result reveals that the dye with the di(1H-tetrazol-5-yl)methane anchoring group injects more electrons to the conduction band of TiO2 in comparison with its analogs with single tetrazole ring in their anchoring group. It is found that in spite of a red-shift of the absorption spectrum resulted from the lengthening of the molecule, the dye with two di(1H-tetrazol-5-yl)methane groups gives lower performance than the dye with a single electron acceptor. 相似文献
5.
Microwave‐Assisted Catalyst Free Three Component Synthesis of Mono and Bis Spiro Pyrazolopyridines in Solvent Free Reaction 下载免费PDF全文
Mohammad Nikpassand Leila Zare Fekri Neda Jamshidi 《Journal of heterocyclic chemistry》2015,52(5):1580-1583
Multicomponent synthesis of mono and bis‐spiro pyrazolopyridines from isatin derivatives, indanedione, and 3‐methyl‐5‐aminopyrazole under microwave irradiation in the absence of any catalyst or solvent with high yield and short reaction time is reported. 相似文献
6.
7.
Mohammad Zarei Neda Seyedi Shahab Maghsoudi Mohaddeseh Shahabi Nejad Hassan Sheibani 《中国化学会会志》2020,67(11):1992-2003
In this study, graphene oxide was modified during consecutive functionalization steps with 1,4-diphenylamine, cyanuric chloride, and ethylenediamine. Then, star-shaped CuO nanoparticles were synthesized on modified graphene oxide using the seed-mediated growth method in which nucleation, growth stages, and reduction of graphene oxide to graphene occurred simultaneously. After ensuring successful synthesis of CuO nanoparticles and to facilitate recycling, a magnetization process was utilized by adding iron oxide nanoparticles. This nanocomposite was characterized by transmission electron microscopy, X-ray powder diffraction, scanning electron microscopy, and Fourier transform infrared spectroscopy. The prepared heterogeneous catalyst was investigated for the reduction of organic dyes in the presence of NaBH4 as a reducing reagent. The kinetic data obtained for the reduction of methyl orange (MO), methylene blue (MB), 4-nitrophenol (4-NP), and rhodamine 6G (Rh6G) were fitted to first-order rate equations, and the calculated rate constants for the reduction of MO, MB, 4-NP and Rh6G were as follows: −0.091, −0.071, −0.045, and 0.040, respectively. As star-shaped CuO nanoparticles showed a higher antibacterial effect compared to spherical-shaped CuO nanoparticles, the antibacterial activity of star-shaped CuO nanoparticles immobilized on magnetic functionalized graphene was evaluated against Gram-positive and Gram-negative bacteria through an agar well diffusion assay and demonstrated more antibacterial activity against gram-positive bacteria. 相似文献
8.
Ali Reza Kazemizadeh Nahid Shajari Reza Shapouri Neda Adibpour Reza Teimuri‐Mofrad Parisa Dinmohammadi 《应用有机金属化学》2016,30(3):148-153
A four‐component reaction between aromatic carboxylic acids, (N‐isocyanimino)triphenylphosphorane, ferrocenecarbaldehyde and dibenzylamine is reported. This approach is an efficient, simple and high‐yield procedure for the synthesis of 1,3,4‐oxadiazole derivatives containing a ferrocene unit. The antimicrobial activities of the products were investigated against Staphylococcus aureus and Pseudomonas aeruginosa in in vitro and in vivo assays. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
9.
Mercury adsorption by sulfur impregnated adsorbents seems to be one of the most efficient ways for removal of this toxic metal ion from wastewater and atmosphere. The aim of this work was to develop a method for preparation of low-cost sulfurized adsorbent from agricultural wastes; this approach combines two stages of (i) chemical activation with phosphoric acid and (ii) impregnation with powdered sulfur, in one step only. The physico-chemical properties of sulfurized adsorbent (AC-S) were determined with BET, FT-IR, Eschka method and pHPZC measurements, and compared with those of the virgin sample (AC). It was found that sulfurization according to this method can introduce about 8 wt.% sulfur into the structure of adsorbent, in the forms of C–S, S–H, S–S and S=O functional groups. Although during the sulfur introduction processes, a decrease in surface area and micropore volume of the sulfurized adsorbent is to be expected, not only such decrease did not occur in this work, but a large increase in microporosity was seen. Thereupon, both the sulfur functionalities and extended microporosity of AC-S lead to higher capability of this sample for mercury adsorption rather than AC. Finally, the kinetics and equilibrium of mercury adsorption from aqueous solutions were studied for AC and AC-S. 相似文献
10.
Argus Adrian Dunca Kara E. Kohler Monika Neda Leo G. Rebholz 《Mathematical Methods in the Applied Sciences》2012,35(10):1205-1219
This work presents a rigorous analysis of mathematical and physical properties for solutions of multiscale deconvolution turbulence models. We show that solutions of these models exactly conserve model quantities for the integral invariants of fundamental physical importance: kinetic energy, helicity, and (in two dimensions) enstrophy. The kinetic energy conservation is the key that allows us to next apply the phenomenology of homogeneous, isotropic turbulence to establish the existence of a model energy cascade and, in particular, that the cascade exhibits enhanced energy dissipation in a secondary accelerated cascade, which ends at the model's microscale (which we establish is larger than the Kolmogorov microscale). We also prove that the model dissipates energy at the same rate as true turbulent flow, ~ O(U3 ∕ L), independent of Reynolds number. Lastly, we prove the existence of global attractors for the model solutions; the proof of which also shows that solutions are actually one degree of regularity higher than previously known. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献