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81.
Mostafa Mohsen M. El-Shazly Rafaat M. Rakha Tawfik H. Abdel-Rahman Mohamed H. 《Transition Metal Chemistry》2002,27(3):337-340
Tribochemical reactions of KBr, KI and CaI2 with [Cu(L)Cl2(EtOH)3/2(H2O)]1/2H2O (L = formylhydrazine) give novel CuI and CuII complexes, which have been characterized by elemental analyses, spectral (i.r., u.v.–vis., 1H-n.m.r.) and magnetic measurements. The i.r. spectra indicate that (L) behaves in a monodentate manner, coordinating via the azomethine nitrogen (C-N) group in the CuII complexes, but behaving as a bidentate ligand, via the carbonyl oxygen and NH2 groups in the CuI complexes. KI and CaI2 react with [Cu(L)Cl2(EtOH)3/2(H2O)]-1/2H2O in the solid state, accompanied by a colour change, substitution of the chloride by iodide ions, and reduction of CuII to CuI to give complexes with formulae [Cu(L)I(EtOH)1/2] and [Cu1.7(L)I1.7(EtOH)1/2]. On the other hand, the tribochemical reaction of KBr with [Cu(L)Cl2(EtOH)3/2(H2O)]1/2H2O is accompanied by a colour change; substitution of the chloride by bromide ions, but without reduction of CuII and yields a complex of formula [Cu(L)2Br2(EtOH)(H2O)]1/2EtOH. The spectral and magnetic results suggest a distorted octahedral geometry for the CuII complexes while a tetrahedral geometry around the CuI ion. The non-stoichiometric structure of [Cu1.7(L)I1.7(EtOH)1/2] is discussed. 相似文献
82.
(Z)-Ethyl-3-perfluoroalkyl-3-magnesiated crotonates were prepared from (Z)-ethyl-3-perfluoroalkyl-3-iodo enoates by iodine-magnesium exchange reaction with isopropylmagnesium bromide in THF at -78 degrees C. These new reagents reacted with a range of electrophiles, leading to polyfunctional products bearing a perfluoroalkyl group. 相似文献
83.
The influence of using normal-phase and reversed-phase versions of four commercial polysaccharide stationary phases on chiral separations was investigated with capillary electrochromatography (CEC). Both versions of the stationary phases, Chiralcel OD, OJ, and Chiralpak AD, AS were tested for the separation of two basic, two acidic, a bifunctional, and a neutral compound. Different background electrolytes were used, two at low pH for the acid, bifunctional and neutral substances, and three at high pH for the basic, bifunctional and neutral ones. This setup allowed evaluating differences between both stationary-phase versions and between mobile-phase compositions on a chiral separation. Duplicate CEC columns of each stationary phase were in-house prepared and tested, giving information about the intercolumn reproducibility. In general, reversed-phase versions of the current commercial polysaccharide stationary phases are found to be best for reversed-phase CEC, even though at high pH no significant differences were seen between both versions. Most differences were observed at low pH. For acidic compounds, it was seen that an ammonium formate electrolyte performed best, which is also an excellent electrolyte if coupling with mass spectrometry is desired. For basic, bifunctional and neutral compounds, no significant differences between the three tested electrolytes were observed at high pH. Here, a phosphate buffer is preferred as electrolyte because of its buffering capacities. However, if coupling to mass spectrometry is wanted, the more volatile ammonium bicarbonate electrolyte can be used as an alternative. 相似文献
84.
Solvatochromism and Solvatofluorchromism of Brooker's merocyanine 1-methyl-4- (4′-hydroxystyryl) pyridinium betaine, M, were studied in twelve polar protic and aprotic solvents. Moderate hypsochromic fluorescence energy shifts are 4.57 kcal mole−1 while strong hypsochromic absorption energy shifts are 16.63 kcal mole−1. Decreasing of the dipole moment of M upon excitation is the factor, which is responsible for the difference between the two energy shifts. The change of both energies rectilinearly with solvent acidity scale shows the importance of oxygen atom of M as a strong basic center. The application of the atom superposition and electron delocalization molecular orbital (ASED-MO) theory reproduces geometrical and electronic structures for M, which agree well with the experimental observations. The calculations suggest strongly that the dye has a benzenoid valence structure in the ground state and shifts towards a quinonoid one upon excitation with an observed decreasing of the dipole moment. The changing of the dipole moment is explained clearly depending upon the calculated charge distribution over the whole skeleton of the molecule. The formation of a H-bond between the water molecule and the highly negative oxycyclic oxygen atom of M has slightly effect on its dipole moment in the ground state. This leads to suggest that this kind of interaction could be represented as attacking of water with acidic character on the basic site of M. Also, the calculations predict that the formation of monohydrated complex is an exothermic, down hill reaction, which is confirmed from the stabilization of the frontier molecular orbitals, oxygen lone-pair and the HOMO levels. 相似文献
85.
The thermodynamic properties of the mixed aqueous electrolyte of ammonium and alkaline earth metal nitrates have been studied using the hygrometric method at 25?°C. The water activities of these {yNH4NO3+(1?y)Y(NO3)2}(aq) systems with Y ≡ Ba2+, Mg2+ and Ca2+ were measured at total molalities ranging from 0.10 mol?kg?1 to saturation for different NH4NO3 ionic-strength fractions of y=0.20, 0.50 and 0.80. These data allow the calculation of osmotic coefficients. From these measurements, the ionic mixing parameters are determined and used to calculate the solute activity coefficients in the mixtures at different ionic-strength fractions. The results of these ternary solution measurements are compared with those for binary solutions of the alkaline earth nitrates of magnesium, calcium and barium with ammonium nitrates. The behavior of the aqueous electrolyte solutions containing mixtures of barium or calcium or magnesium with ammonium nitrates are correlated and show that ionic interactions are more important for the system containing Mg2+ than for Ca2+ or Ba2+. The trends are mainly due to the effects of the ionic size, polarizability and the hydration of the ions in these solutions. 相似文献
86.
Mohamed Ali Saada Annie Hémon-Ribaud Vincent Maisonneuve 《Journal of fluorine chemistry》2005,126(7):1072-1077
Tren amine cations [(C2H4NH3)3N]3+ and zirconate or tantalate anions adopt a ternary symmetry in two hydrates, [H3tren]2·(ZrF7)2·9H2O and [H3tren]6·(ZrF7)2·(TaOF6)4·3H2O, which crystallise in R32 space group with aH = 8.871 (2) Å, cH = 38.16 (1) Å and aH = 8.758 (2) Å, cH = 30.112 (9) Å, respectively. Similar [H3tren]2·(MX7)2·H2O (M = Zr, Ta; X = F, O) sheets are found in both structures; they are separated by a water layer (Ow(2)-Ow(3)) in [H3tren]2·(ZrF7)2·9H2O. Dehydration of [H3tren]2·(ZrF7)2·9H2O starts at room temperature and ends at 90 °C to give [H3tren]2·(ZrF7)2·H2O. [H3tren]2·(ZrF7)2·H2O layers remain probably unchanged during this dehydration and the existence of one intermediate [H3tren]2·(ZrF7)2·3H2O hydrate is assumed. Ow(1) molecules are tightly hydrogen bonded with -NH3+ groups and decomposition of [H3tren]2·(ZrF7)2·H2O occurs from 210 °C to 500 °C to give successively [H3tren]2·(ZrF6)·(Zr2F12) (285 °C), an intermediate unknown phase (320 °C) and ZrF4. 相似文献
87.
Mohamed Ahmed Khaireh Marie Angot Clara Cilindre Grard Liger-Belair David A. Bonhommeau 《Molecules (Basel, Switzerland)》2021,26(6)
The diffusion of carbon dioxide (CO) and ethanol (EtOH) is a fundamental transport process behind the formation and growth of CO bubbles in sparkling beverages and the release of organoleptic compounds at the liquid free surface. In the present study, CO and EtOH diffusion coefficients are computed from molecular dynamics (MD) simulations and compared with experimental values derived from the Stokes-Einstein (SE) relation on the basis of viscometry experiments and hydrodynamic radii deduced from former nuclear magnetic resonance (NMR) measurements. These diffusion coefficients steadily increase with temperature and decrease as the concentration of ethanol rises. The agreement between theory and experiment is suitable for CO. Theoretical EtOH diffusion coefficients tend to overestimate slightly experimental values, although the agreement can be improved by changing the hydrodynamic radius used to evaluate experimental diffusion coefficients. This apparent disagreement should not rely on limitations of the MD simulations nor on the approximations made to evaluate theoretical diffusion coefficients. Improvement of the molecular models, as well as additional NMR measurements on sparkling beverages at several temperatures and ethanol concentrations, would help solve this issue. 相似文献
88.
Aik Sian Tan Jaymeer Singh Nurul Syafiqah Rezali Musthahimah Muhamad Nik Nur Syazni Nik Mohamed Kamal Yvan Six Mohamad Nurul Azmi 《Molecules (Basel, Switzerland)》2022,27(17)
The Heck cross-coupling reaction is a well-established chemical tool for the synthesis of unsaturated compounds by formation of a new C-C bond. In this study, 1,3-diarylpropene derivatives, designed as structural analogues of stilbenoids and dihydrostilbenoids, were synthesised by the palladium-catalysed reactions of 2-amidoiodobenzene derivatives with either estragole or eugenol. The products were obtained with high (E) stereoselectivity but as two regioisomers. The ratios of isomers were found to be dependent on the nature of the allylbenzene partner and were rationalised by electronic effects exercising a determining influence in the β-hydride elimination step. In addition, the cytotoxic effects of all the Heck reaction products were evaluated against MCF-7 and MDA-MB-231 human breast cancer cells, with unpromising results. Among all, compound 7d exhibited weak cytotoxic activity towards MCF-7 cell lines with IC50 values of 47.92 µM in comparison with tamoxifen and was considered to have general toxicity (SI value < 2). 相似文献
89.
Safaa M. Kishk Enas E. Eltamany Mohamed S. Nafie Roaa M. Khinkar Rawan H. Hareeri Sameh S. Elhady Asmaa S. A. Yassen 《Molecules (Basel, Switzerland)》2022,27(19)
In this study, a series of coumarin derivatives, either alone or as hybrids with cinnamic acid, were synthesized and evaluated for their cytotoxicity against a panel of cancer cells using the MTT assay. Then, the most active compounds were inspected for their mechanism of cytotoxicity by cell-cycle analysis, RT-PCR, DNA fragmentation, and Western blotting techniques. Cytotoxic results showed that compound (4) had a significant cytotoxic effect against HL60 cells (IC50 = 8.09 µM), while compound (8b) had a noticeable activity against HepG2 cells (IC50 = 13.14 µM). Compounds (4) and (8b) mediated their cytotoxicity via PI3K/AKT pathway inhibition. These results were assured by molecular docking studies. These results support further exploratory research focusing on the therapeutic activity of coumarin derivatives as cytotoxic agents. 相似文献
90.
AbdElAziz A. Nayl Hamada Mohamed Ibrahim Kamal M. Dawood Wael A. A. Arafa Ahmed I. Abd-Elhamid Ismail M. Ahmed Mohamed A. Abdelgawad Hazim M. Ali Ibrahim Hotan Alsohaimi Ashraf A. Aly Stefan Brse Asmaa Kamal Mourad 《Molecules (Basel, Switzerland)》2022,27(19)
An appropriate and efficient Q-tube-assisted ammonium acetate-mediated protocol for the assembly of the hitherto unreported 5-arylazopyrazolo[3,4-b]pyridines was demonstrated. This methodology comprises the cyclocondensation reaction of 5-amino-2-phenyl-4H-pyrazol-3-one with an assortment of arylhydrazonals in an NH4OAc/AcOH buffer solution operating a Q-tube reactor. This versatile protocol exhibited several outstanding merits: easy work-up, mild conditions, scalability, broad substrate scope, safety (the Q-tube kit is simply for pressing and sealing), and a high atom economy. Consequently, performing such reactions under elevated pressures and utilizing the Q-tube reactor seemed preferable for achieving the required products in comparison to the conventional conditions. Diverse spectroscopic methods and X-ray single-crystal techniques were applied to confirm the proposed structure of the targeted compounds. 相似文献