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排序方式: 共有316条查询结果,搜索用时 46 毫秒
1.
JPC – Journal of Planar Chromatography – Modern TLC - A new stability-indicating HPTLC assay has been established for leuprolide acetate. Silica gel 60F254 was used as stationary phase.... 相似文献
2.
Czechoslovak Mathematical Journal - We investigate signed graphs with just 2 or 3 distinct eigenvalues, mostly in the context of vertex-deleted subgraphs, the join of two signed graphs or... 相似文献
3.
Raissi H Nowroozi A Farzad F Bojd MS 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,62(1-3):343-352
Fourier transform infrared and Fourier transform Raman spectra of Cu(II) bis-acetylacetone have been obtained. The geometry, frequency and intensity of the vibrational bands of this compound and its 1,5-(13)C(2), 3-(13)C, 1,3,5-(13)C(3), 2,4-(13)C(2), (18)O(2) and 2,4-(13)C(2)-(18)O(2) derivatives were obtained by the density functional theory (DFT) with the B3LYP functional and using the 6-31G(*) and 3-21G(*) basis sets. The calculated frequencies are compared with the solid infrared and Raman spectra. All the measured infrared and Raman bands were interpreted in terms of the calculated vibrational modes. The percentage of deviation of the bond lengths and bond angles gives a good picture of the normal modes, and serves as a basis for the assignment of the wavenumbers. Most computed bands are predicted to be at higher wavenumbers than the experimental bands. The calculated geometrical parameters show slight differences compared with the experimental results. These differences can be explained by the different physical state of Cu(II) bis-acetylacetone. The DFT-B3LYP calculations assumed a free molecule in the gas phase. Analysis of the vibrational spectra indicates a strong coupling between the chelated ring modes. 相似文献
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5.
A novel heterogeneous nanocatalyst: 2‐Methoxy‐1‐phenylethanone functionalized MCM‐41 supported Cu(II) complex for C‐S coupling of aryl halides with thiourea
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An environmentally friendly copper‐based catalyst supported on 2‐Methoxy‐1‐phenylethanone functionalized MCM‐41 was prepared and characterized by FT‐IR, FE‐SEM, TEM, XRD, EDX, BET and ICP techniques. The catalyst was applied for the C?S cross‐coupling reaction of aryl halides with thiourea. Corresponding products were produced in good yields in aerobic conditions. The catalyst could be recovered and recycled for several times. 相似文献
6.
Farzaneh Sarrami Li-Juan Yu Amir Karton 《Journal of computer-aided molecular design》2017,31(10):905-913
During a respiratory burst the enzyme myeloperoxidase generates significant amounts of hypohalous acids (HOX, X?=?Cl and Br) in order to inflict oxidative damage upon invading pathogens. However, excessive production of these potent oxidants is associated with numerous inflammatory diseases. It has been suggested that the endogenous antioxidant carnosine is an effective HOCl scavenger. Recent computational and experimental studies suggested that an intramolecular Cl+ transfer from the imidazole ring to the terminal amine might play an important role in the antioxidant activity of carnosine. Based on high-level ab initio calculations, we propose a similar reaction mechanism for the intramolecular Br+ transfer in carnosine. These results suggest that carnosine may be an effective HOBr scavenger. On the basis of the proposed reaction mechanism, we proceed to design systems that share similar structural features to carnosine but with enhanced HOX scavenging capabilities for X?=?Cl and Br. We find that (i) elongating the β-alanyl-glycyl side chain by one carbon reduces the reaction barriers by up to 44%, and (ii) substituting the imidazole ring with strong electron-donating groups reduces the reaction barriers by similar amounts. We also show that the above structural and electronic effects are largely additive. In an antioxidant candidate that involves both of these effects the reaction barriers are reduced by 71%. 相似文献
7.
Mahsa Kiani Mojtaba Bagherzadeh Soraia Meghdadi Farzaneh Fadaei-Tirani Maryam Babaie Kurt Schenk-Joß 《应用有机金属化学》2020,34(11):e5911
The new Co(II) - carboxamide complex ( 1 ) and Co3O4 nanoparticles ( 2 ), by way of thermal decomposition of ( 1 ) have been efficiently synthesised in the environment-friendly. X-ray diffraction reveals a slightly distorted octahedral coordination of cobalt (four nitrogens and two oxygens) in ( 1 ) and regular octahedral or tetrahedral ones (oxygens only) in ( 2 ). The investigation of ( 1 ) and ( 2 ) in the Mizoroki-Heck and epoxidation of alkens reactions showed them both to be powerful, green and inexpensive catalysts. 相似文献
8.
Structure–reactivity studies of chloro and isothiocyanato diorganotin (IV) complexes based on multidentate N‐donor ligands: Synthesis,spectral characterization and crystal structures
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The reaction of [SnMe2Cl2] with the bidentate ligand 4,7‐phenanthroline (4,7‐phen) resulted in the formation of [SnMe2Cl2 (4,7‐phen)]n ( 1a ) which is probably a polymeric chain in solution. On the other hand, the reaction of [SnEt2Cl2] with 4,7‐phen afforded the complex [Sn2Et4Cl4 (κ1‐N‐4,7‐phen)2(μ‐κ2‐N,N‐4,7‐phen)] ( 1b ) which dissociates in dimethylsulfoxide solution. The reaction of [SnR2Cl2] (R = Me, Et) with 2,2′‐biquinoline (biq) yielded the complexes [SnMe2Cl2 (κ2‐N,N‐biq)] ( 2a ) and [SnEt2Cl2 (κ1‐N‐biq)2] ( 2b ) in the solid state. Moreover, the reaction of [SnR2Cl2] (R = Me, Et) with the tridentate ligand 4′‐(2‐furyl)‐2,2′:6′,2″‐terpyridine (ftpy) resulted in the formation of ionic penta‐ and hexa‐coordinated tin complexes [SnMe2Cl (ftpy)][SnMe2Cl3] ( 3a ) and [SnEt2Cl (ftpy)]Cl ( 3b ). The reaction of [SnMe2 (NCS)2] with ftpy afforded the hepta‐coordinated complex [SnMe2 (NCS)2(ftpy)] ( 4a ). The products were fully characterized using elemental analysis, and infrared, UV–visible, multinuclear (1H, 13C, 119Sn) NMR, DEPT‐135°, HH‐COSY and HSQC NMR spectroscopies. The crystal structure of complex 3a reveals that it contains the simultaneous presence of penta‐ and hexa‐coordinated tin (IV) atoms. Notably, the crystal structure of complex 4a shows that tin (IV) is hepta‐coordinated in a pentagonal bipyramidal geometry SnC2N5 by three nitrogen atoms of ftpy, two nitrogen atoms of NCS? and two Me groups with trans‐[SnMe2] configuration. These data indicate the influence of halide or pseudo‐halide group on the coordination number and geometry of tin. Hirshfeld surface analysis and two‐dimensional fingerprint plots were calculated for 3a and 4a which show the π–π interaction between molecules in the solid is relatively weak. 相似文献
9.
Using covariant quantization of the electromagnetic field, the Casimir force per unit area experienced by a long conducting cylindrical shell, under both Dirichlet and Neumann boundary conditions, is calculated. The renormalization procedure is based on the plasma cut-off frequency for real conductors. The real case of a gold (silver) cylindrical shell is considered and the corresponding electromagnetic Casimir pressure is computed. It is discussed that the Dirichlet and Neumann problems should be considered separately without adding their corresponding results. 相似文献
10.
Abbas Afkhami Farzaneh Soltani-Felehgari Tayyebeh Madrakian Hamed Ghaedi Majid Rezaeivala 《Analytica chimica acta》2013
A new chemically modified carbon paste electrode was constructed and used for rapid, simple, accurate, selective and highly sensitive simultaneous determination of cadmium, copper and mercury using square wave anodic stripping voltammetry (SWASV). The carbon paste electrode was modified by N,N′-bis(3-(2-thenylidenimino)propyl)piperazine coated silica nanoparticles. Compared with carbon paste electrode, the stripping peak currents had a significant increase at the modified electrode. Under the optimized conditions (deposition potential, −1.100 V vs. Ag/AgCl; deposition time, 60 s; resting time, 10 s; SW frequency, 25 Hz; pulse amplitude, 0.15 V; dc voltage step height, 4.4 mV), the detection limit was 0.3, 0.1 and 0.05 ng mL−1 for the determination of Cd2+, Cu2+ and Hg2+, respectively. The complexation reaction of the ligand with several metal cations in methanol was studied and the stability constants of the complexes were obtained. The effects of different cations and anions on the simultaneous determination of metal ions were studied and it was found that the electrode is highly selective for the simultaneous determination of Cd2+, Cu2+ and Hg2+. Furthermore, the present method was applied to the determination of Cd2+, Cu2+ and Hg2+ in water and some foodstuff samples. 相似文献