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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.
Reem S. Alnefaie Mohamed Abboud Abdullah Alhanash Mohamed S. Hamdy 《Molecules (Basel, Switzerland)》2022,27(10)
Nickel oxide powder was prepared by simple calcination of nickel nitrate hexahydrate at 500 °C for 5 h and used as a catalyst for the oxidation of cyclohexane to produce the cyclohexanone and cyclohexanol—KA oil. Molecular oxygen (O2), hydrogen peroxide (H2O2), t-butyl hydrogen peroxide (TBHP) and meta-chloroperoxybenzoic acid (m-CPBA) were evaluated as oxidizing agents under different conditions. m-CPBA exhibited higher catalytic activity compared to other oxidants. Using 1.5 equivalent of m-CPBA as an oxygen donor agent for 24 h at 70 °C, in acetonitrile as a solvent, NiO powder showed exceptional catalytic activity for the oxidation of cyclohexane to produce KA oil. Compared to different catalytic systems reported in the literature, for the first time, about 85% of cyclohexane was converted to products, with 99% KA oil selectivity, including around 87% and 13% selectivity toward cyclohexanone and cyclohexanol, respectively. The reusability of NiO catalyst was also investigated. During four successive cycles, the conversion of cyclohexane and the selectivity toward cyclohexanone were decreased progressively to 63% and 60%, respectively, while the selectivity toward cyclohexanol was increased gradually to 40%. 相似文献
89.
Katren F. Khella Ahmed I. Abd El Maksoud Amr Hassan Shaimaa E. Abdel-Ghany Rafaat M. Elsanhoty Mohammed Abdullah Aladhadh Mohamed A. Abdel-Hakeem 《Molecules (Basel, Switzerland)》2022,27(13)
Carnosic acid (CA) is a natural phenolic compound with several biomedical actions. This work was performed to study the use of CA-loaded polymeric nanoparticles to improve the antitumor activity of breast cancer cells (MCF-7) and colon cancer cells (Caco-2). CA was encapsulated in bovine serum albumin (BSA), chitosan (CH), and cellulose (CL) nanoparticles. The CA-loaded BSA nanoparticles (CA-BSA-NPs) revealed the most promising formula as it showed good loading capacity and the best release rate profile as the drug reached 80% after 10 h. The physicochemical characterization of the CA-BSA-NPs and empty carrier (BSA-NPs) was performed by the particle size distribution analysis, transmission electron microscopy (TEM), and zeta potential. The antitumor activity of the CA-BSA-NPs was evaluated by measuring cell viability, apoptosis rate, and gene expression of GCLC, COX-2, and BCL-2 in MCF-7 and Caco-2. The cytotoxicity assay (MTT) showed elevated antitumor activity of CA-BSA-NPs against MCF-7 and Caco-2 compared to free CA and BSA-NPs. Moreover, apoptosis test data showed an arrest of the Caco-2 cells at G2/M (10.84%) and the MCF-7 cells at G2/M (4.73%) in the CA-BSA-NPs treatment. RT-PCR-based gene expression analysis showed an upregulation of the GCLC gene and downregulation of the BCL-2 and COX-2 genes in cells treated with CA-BSA-NPs compared to untreated cells. In conclusion, CA-BSA-NPs has been introduced as a promising formula for treating breast and colorectal cancer. 相似文献
90.
Tabassum Jannat Md. Jamal Hossain Ahmed M. El-Shehawi Md. Ruhul Kuddus Mohammad A. Rashid Sarah Albogami Ibrahim Jafri Mohamed El-Shazly Mohammad Rashedul Haque 《Molecules (Basel, Switzerland)》2022,27(13)
The aim of the study was to conduct phytochemical and pharmacological investigations of Wrightia coccinea (Roxb. ex Hornem.) Sims via several in vitro, in vivo, and in silico models. A total of four compounds were identified and isolated from the methanol extract of the bark and the methanol extract of the seed pulp of W. coccinea through successive chromatographic techniques and were characterized as 3β-acetyloxy-olean-12-en-28-ol (1), wrightiadione (2), 22β-hydroxylupeol (3), and β-sitosterol (4) by spectroscopic analysis. The aqueous fraction of the bark and chloroform fraction of the fruits provided the most potent antioxidant capacity (IC50 = 7.22 and 4.5 µg/mL, respectively) in DPPH free radical scavenging assay compared with the standard ascorbic acid (IC50 = 17.45 µg/mL). The methanol bark extract and the methanol fruit coat extract exerted anti-diarrheal activity by inhibiting 74.55 ± 0.67% and 77.78 ± 1.5% (mean ± SEM) of the diarrheal episode in mice, respectively, after four hours of loading the samples. In the hypoglycemic test, the methanol bark extract and the methanol fruit coat extract (400 mg/kg) produced a significant (p < 0.05) reduction in the blood glucose level in mice. Both doses of the plant extracts (200 mg/kg and 400 mg/kg) used in the study induced a significant (p < 0.05) increase in pain reaction time. The in vitro and in vivo findings were supported by the computational studies. The isolated compounds exhibited higher binding affinity compared with the standard drugs towards the active binding sites of glutathione reductase, epidermal growth factor receptor (EGFR), kappa opioid receptor, glucose transporter 3 (GLUT 3), Mu opioid receptor, and cyclooxygenase 2 (COX-2) proteins due to their potent antioxidant, cytotoxic, anti-diarrheal, hypoglycemic, and central and peripheral analgesic properties, respectively. The current findings concluded that W. coccinea might be a potential natural source for managing oxidative stress, diarrhea, hyperglycemia, and pain. Further studies are warranted for extensively phytochemical screening and establishing exact mechanisms of action. 相似文献