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121.
The rapid, very simple and green one-pot synthesis of 5-arylidene-2-imino-4-thiazolidinones by condensation of the thioureas with chloroacetyl chloride and an aldehyde in natural deep eutectic solvent with good to excellent yields is described. 相似文献
122.
Musa I. El-Barghouthi Hamzeh M. Abdel-Halim Feryal J. Haj-Ibrahim Khaleel I. Assaf 《Supramolecular chemistry》2013,25(1-2):80-89
Molecular dynamics (MD) simulations were performed for cucurbit[6]uril (CB6) methyl and cyclohexyl derivatives in aqueous solutions. Furthermore, MD simulations have been conducted to study the inclusion complexes between each CB6 derivative with α,ω-pentane diammonium ion (NH3+(CH2)5NH3+) to estimate the binding free energies, the complex geometries and the intermolecular forces responsible for complex formation. Results show a complete inclusion of the guest molecule in the cavity of the host for all complexes. Results also indicate that the guest dynamics inside the cavity of the substituted host is similar to that for the unsubstituted host. This demonstrates that the molecular recognition of the host is not affected by the alkyl substitution at the equator. Also, there is an insignificant conformational change of the macrocyclic structure upon inclusion of the guest. Molecular mechanics/Poisson Boltzmann surface area method was used to estimate the binding free energy of each complex. Results indicate that host–guest electrostatic interactions make the largest contribution to the complex binding free energy. Moreover, van der Waals interactions add significantly to the complex stability. The guest molecules show more or less similar binding free energies with the substituted CB6 that exhibits slightly more negative values than unsubstituted CB6 which is proved also by umbrella sampling. 相似文献
123.
Masoud Salavati-Niasari Zeynab Behfard Omid Amiri Elahe Khosravifard S. Mostafa Hosseinpour-Mashkani 《Journal of Cluster Science》2013,24(1):349-363
Well-segregated bismuth sulfide (Bi2S3) nanorods with a high order of crystallinity have been successfully prepared from bismuth(III) monosalicylate [BiO(C7H5O3)] by a simple hydrothermal reaction in H2O at 180 °C. Bismuth(III) monosalicylate and thioglycolic acid act as the starting materials. The products were characterized by powder X-ray diffraction, Ultraviolet–Visible (UV–Vis) spectroscopy, transmission electron microscopy photoluminescence spectroscopy, and Fourier transform infrared spectra. The powder X-ray diffraction pattern shows the product belongs to the orthorhombic Bi2S3 phase. Their UV–Vis spectrum shows the absorbance at 328 nm, with its direct energy band gap of 2.6 eV. Bismuth salicylate, which is known to be a complex, may play a critical role as a precursor and a template for the growth of linear bismuth sulfide nanorods. Finally the influences of the reaction conditions are discussed and a possible mechanism for the formation of Bi2S3 nanorods is proposed. 相似文献
124.
Hamid Golchoubian Hamid Reza Mardani Giuseppe Bruno Hadi Amiri Rudbari 《Journal of the Iranian Chemical Society》2013,10(1):29-41
A series of mono- and heterodinuclear macro-acyclic complexes of [ZnLCu(II)]2+ and [ZnLNi(II)]2+ were synthesized by a stepwise procedure. The phenol-based macro-acyclic dicompartmental ligands (L2?) possess contagious hexadentate (N4O2) and tetradentate (N2O2) coordination sites, where in the mononuclear complexes [ZnL(H+)2]2+ the latter site containing two alkyl-imine donor groups (ethyl or isopropyl) is attached to the azomethine moieties. The alkyl group(s) is eliminated upon introduction of the second metal (II) ion into N2O2 coordination site as a result of steric crowding of the alkyl groups along with the lack of flexibility associated with the imine groups. When the second metal ion is Cu(II) and R = isopropyl, the both of them are eliminated but when R = Et only one ethyl group is removed. However, in case of Ni(II) as the second metal ion, the both alkyl groups are eliminated regardless of the nature of the alkyl group. The origins of the structural variations are discussed. The prepared complexes were characterized by elemental analysis, molar conductance measurements, X-ray crystallography, IR, NMR and UV–Vis spectroscopies. 相似文献
125.
126.
Reza Azadbakht Maryame Khodabandeh Hassan Keypour Reza Haji Hosseini Baghdad Abadi Hadi Amiri Rudbari 《Journal of heterocyclic chemistry》2013,50(4):979-981
Three tetra‐amine compounds 2‐((2‐(2‐aminobenzylamino)ethylamino)methyl)benzenamine ( L1 ), 2‐((3‐(2‐aminobenzylamino)propylamino)methyl)benzenamine ( L2 ), and 2‐((4‐(2‐aminobenzylamino)butylamino)methyl)benzenamine ( L3 ) were synthesized and then their reaction with 2‐hydroxybenzaldehyde, 2‐nitrobenzaldehyde, and 2‐hydroxy‐3‐methoxybenzaldehyde were investigated. Treatment of L1 , L2 , and L3 with the former aldehydes gave derivatives of quinazolines in a good yield. The products have been studied with IR, 1H NMR, 13C NMR, COSY, HMQC, and microanalysis. 相似文献
127.
The purpose of this study is to analyze items that exhibit gender‐related Differential Item Functioning (DIF) in Mathematics in Jordan. Data was taken from the TIMSS 1999 of Jordan, which includes responses of 5,299 eighth grade students. Mantel‐Haenszel (MH) DIF procedure was applied to 124 multiple‐choice items. The results showed that 37 items exhibited gender‐related DIF. The analysis of the content of these items reflected some patterns that need further investigation. All the DIF items in measurement content favored male students while most of the DIF items in algebraic and data analysis contents favored female students. Most of the DIF items that negatively impacted on females were unfamiliar items that required some risk taking such as estimation, expectation, or approximation. On the other hand, most of the DIF items that favored females were familiar items which have one specific correct answer. Some implications for both research and teaching practice are provided. 相似文献
128.
129.
Soraia Meghdadi Mehdi Amirnasr Mohammad H. Habibi Ahmad Amiri Vahid Ghodsi Azadeh Rohani Ross W. Harrington William Clegg 《Polyhedron》2008
Two series of complexes of the types trans-[CoIII(Mebpb)(amine)2]ClO4 {Mebpb2− = N,N-bis(pyridine-2-carboxamido)-4-methylbenzene dianion, and amine = pyrrolidine (prldn) (1a), piperidine (pprdn) (2a), morpholine (mrpln) (3a), benzylamine (bzlan) (4a)}, and trans-[CoIII(cbpb)(amine)2]X {cbpb2− = N,N-bis(pyridine-2-carboxamido)-4-chlorobenzene dianion, and amine = pyrrolidine (prldn), X = PF6 (1b), piperidine (pprdn), X = PF6 (2b), morpholine (mrpln), X = ClO4 (3b), benzylamine (bzlan), X = PF6 (4b)} have been synthesized and characterized by elemental analyses, IR, UV–Vis, and 1H NMR spectroscopy. The crystal structure of 1a has been determined by X-ray diffraction. The electrochemical behavior of these complexes, with the goal of evaluating the effect of axial ligation and equatorial substitution on the redox properties, is also reported. The reduction potential of CoIII, ranging from −0.53 V for (1a) to −0.31 V for (3a) and from −0.48 V for (1b) to −0.22 V for (3b) show a relatively good correlation with the σ-donor ability of the axial ligands. The methyl and chloro substituents of the equatorial ligand have a considerable effect on the redox potentials of the central cobalt ion and the ligand-centered redox processes. 相似文献
130.