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71.
Nasrin Oroujzadeh Khodayar Gholivand 《Phosphorus, sulfur, and silicon and the related elements》2016,191(9):1274-1279
Single crystals of C5H4NC(O)NHP(O)[N(i-C4H9)2]2 were prepared and investigated by X-ray crystallography. Interestingly, four symmetrically independent conformers were detected in the structure of this compound by X-ray crystallography. The greatest difference in these conformers was different torsion angles. In all conformers, the phosphoryl and carbonyl groups showed anti-configurations, and the two terminal CH3 groups of each alkyl chain in amine parts have different spatial orientations due to their connection to a prochiral carbon atom. The diastereotopic protons of every CH2 moiety in amine groups also have different spatial orientations. Every conformer forms a centrosymmetric dimer with its own symmetrically generated analog via a hydrogen bond. The first conformer connects to others (A, B, and C) via electrostatic interactions and forms a tetramer. All hydrogen bonds and electrostatic interactions result in the formation of a three-dimensional polymeric network in the crystalline lattice of compound. To find the most stable conformer, density functional theory (DFT) calculations were performed. The computationally optimized geometric parameters are in good agreement with the experimental results. According to DFT calculations, B is the most stable conformer with energy of ?987714.07 kcal/mol. In all conformers the electron density of HOMO is localized on P=O and C=O oxygen atoms and some parts of amine groups, while LUMO is localized on the nicotinamide part of the molecule. 相似文献
72.
Development of agricultural biotechnology and biosafety regulations used to assess the safety of genetically modified crops in Iran 总被引:1,自引:0,他引:1
Rapid progress in the application of biotechnological methodologies and development of genetically modified crops in Iran necessitated intensive efforts to establish proper organizations and prepare required rules and regulations at the national level to ensure safe application of biotechnology in all pertinent aspects. Practically, preparation of a national biotechnology strategic plan in the country coincided with development of a national biosafety framework that was the basis for the drafted biosafety law. Although biosafety measures were observed by researchers voluntarily, the establishment of national biosafety organizations since the year 2000 built a great capacity to deal with biosafety issues in the present and future time, particularly with respect to food and agricultural biotechnology. 相似文献
73.
Ghouchi Eskandar N Simovic S Prestidge CA 《Physical chemistry chemical physics : PCCP》2007,9(48):6426-6434
The influence of hydrophilic silica nanoparticles on the emulsification of a triglyceride oil (Miglyol812) in the presence of charged surfactants (lecithin or oleylamine) and the long term stability of the resultant oil-in-water emulsions are reported. A synergistic effect of nanoparticles and surfactants in improving emulsification and stability to coalescence is evident only when the silica nanoparticles are initially added to the oil phase. When nanoparticles are included from the water phase, no synergistic stabilisation was observed due to electrostatic bridging or unfavourable attachment due to the repulsive electrostatic and hydration forces. Free energies of adsorption for silica nanoparticles at the oil-water interface calculated from experimentally determined interfacial tensions and three phase contact angles can be correlated to long-term emulsion stability only when silica is added from oil phase. 相似文献
74.
Seyed Esmaeil Sadat Ebrahimi Nasrin Nozari Saeed Bahadorikhalili Azadeh Yahya-Meymandi Alireza Foroumadi Bagher Larijani Mahmood Biglar Mohammad Mahdavi 《Journal of heterocyclic chemistry》2020,57(8):3161-3166
In this paper, an efficient method is introduced for the synthesis of 7′,9′-disubstituted 6′,9′-dihydro-2H,7′H-spiro[pyrimidine-5,8′-[1,3]dioxolo[4,5-f]quinoline]-2,4,6(1H,3H)-trione derivatives under mild and “green” reaction conditions. The method is based on one-pot multicomponent reaction of an aldehyde, barbituric acid, and benzo[d][1,3]dioxol-5-amine in ethanol as a green and environmentally friendly solvent. The reaction has given the products in the highest isolated yield in the presence of acetic acid as catalyst under reflux conditions. Various aldehydes, bearing electron-donating or -withdrawing functionalities have been used under the optimized conditions and successfully gave the desired products (13 examples) in high isolated yields. 相似文献
75.
The interfacial and bulk properties of submicron oil-in-water emulsions simultaneously stabilised with a conventional surfactant (either lecithin or oleylamine) and hydrophilic silica nanoparticles (Aerosil?380) were investigated and compared with emulsions stabilised by either stabiliser. Emulsions solely stabilised with lecithin or oleylamine showed poor physical stability, i.e., sedimentation and the release of pure oil was observed within 3 months storage. The formation and long-term stability of silica nanoparticle-coated emulsions was investigated as a function of the surfactant type, charge, and concentration; the oil phase polarity (Miglyol?812 versus liquid paraffin); and loading phase of nanoparticles, either oil or water. Highly stable emulsions with long-term resistance to coalescence and creaming were formulated even at low lecithin concentrations in the presence of optimum levels of silica nanoparticles. The attachment energy of silica nanoparticles at the non-polar oil-water interface in the presence of lecithin was significantly higher compared to oleylamine in line with good long-term stability of the former compared to the sedimentation and release of oil in the latter. The attachment energy of silica nanoparticles at the polar oil-water interface especially in the presence of oleylamine was up to five-times higher compared to the non-polar liquid paraffin. The interfacial layer structure of nanoparticles (close-packed layer of particle aggregates or scattered particle flocs) directly related to the free energy of nanoparticle adsorption at both MCT oil and liquid paraffin-water interfaces. 相似文献
76.
Spectroscopic studies of dactinomycin and vinorelbine binding to deoxyribonucleic acid and chromatin
Rabbani-Chadegani A Keyvani-Ghamsari S Zarkar N 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,84(1):62-67
Dactinomycin and vinorelbine are anticancer drugs, widely used as chemotherapeutic agents for the treatment of various cancers. This study represents an attempt to compare the effect of these drugs on DNA and soluble chromatin employing UV/vis, fluorescence and circular dichroism spectroscopy techniques. The results demonstrated that the absorbance at 260 and 210 nm was decreased and quenching of drugs with DNA and chromatin chromospheres induced reduction of fluorescence emission intensity. Circular dichroism profiles showed that the binding of drugs induced structural changes in both positive and negative extremes of DNA and chromatin revealing release or displacement of histone proteins from chromatin upon dactinomycin binding whereas vinorelbine preceded the chromatin into compaction. The results suggest that dactinomycin shows higher affinity to DNA compared to chromatin, whereas, vinorelbine recognizes the chromatin structure with higher affinity than free DNA. Also chromatin proteins play a fundamental role in drug-chromatin complex process. 相似文献
77.
A simple, fast and efficient method for the preparation of several 2‐substituted benzimidazole derivatives is reported. Compounds were synthesized through a rapid one‐pot synthesis via microwave irradiation, starting from aldehydes and o‐phenylenediamine, in the presence of H2O2/HCl system in acetonitrile. The significant features of this method are short reaction times, high yields, easy and quick isolation of the products. 相似文献
78.
Ali Reza Kazemizadeh Nasrin Hajaliakbari Roghayeh Hajian Nahid Shajari Ali Ramazani 《Helvetica chimica acta》2012,95(4):594-597
The three‐component reaction of isocyanides 1 , carbodiimides 2 , and trimethylsilyl azide ( 3 ) occurs at room temperature, and the produced 1,5‐disubstituted 1H‐tetrazole derivatives 4 are formed in 81–98% yields (Scheme 1, Table). The reaction proceeds smoothly and cleanly under mild conditions, and no side reactions are observed. 相似文献
79.
Ellips Masehian Hossein Akbaripour Nasrin Mohabbati-Kalejahi 《Computational Optimization and Applications》2013,56(3):735-764
The n-queens problem is a classical combinatorial optimization problem which has been proved to be NP-hard. The goal is to place n non-attacking queens on an n×n chessboard. In this paper, two single-solution-based (Local Search (LS) and Tuned Simulated Annealing (SA)) and two population-based metaheuristics (two versions of Scatter Search (SS)) are presented for solving the problem. Since parameters of heuristic and metaheuristic algorithms have great influence on their performance, a TOPSIS-Taguchi based parameter tuning method is proposed, which not only considers the number of fitness function evaluations, but also aims to minimize the runtime of the presented metaheuristics. The performance of the suggested approaches was investigated through computational analyses, which showed that the Local Search method outperformed the other two algorithms in terms of average runtimes and average number of fitness function evaluations. The LS was also compared to the Cooperative PSO (CPSO) and SA algorithms, which are currently the best algorithms in the literature for finding the first solution to the n-queens problem, and the results showed that the average fitness function evaluation of the LS is approximately 21 and 8 times less than that of SA and CPSO, respectively. Also, a fitness analysis of landscape for the n-queens problem was conducted which indicated that the distribution of local optima is uniformly random and scattered over the search space. The landscape is rugged and there is no significant correlation between fitness and distance of solutions, and so a local search heuristic can search a rugged plain landscape effectively and find a solution quickly. As a result, it was statistically and analytically proved that single-solution-based metaheuristics outperform population-based metaheuristics in finding the first solution of the n-queens problem. 相似文献
80.
The intersection problem for a pair of 2- directed designs and 2- directed designs is solved by Fu in 1983 and by Mahmoodian and Soltankhah in 1996, respectively. In this paper we determine the intersection problem for 2- directed designs. 相似文献