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21.
Seyyed Javad Sabounchei Sadegh SalehzadehMarjan Hosseinzadeh Fateme Akhlaghi BagherjeriHamid Reza Khavasi 《Polyhedron》2011,30(15):2486-2492
The reaction of the new ambidentate ylide, Ph3PCHCOCH2COOC2H5 (EAPPY), with HgX2 (X = Cl, Br and I) in equimolar ratios using methanol as the solvent leads to binuclear complexes of the type [EAPPY·HgX2]2 (X = Cl (1), Br (2) and I (3)). Single crystal X-ray analysis reveals the presence of a centrosymmetric dimeric structure containing the ylide and HgX2 (X = Br or I). The IR and NMR data of the product [(EAPPY)·HgCl2]2 (1), formed by the reaction of mercury(II) chloride with the same ylide, are similar to those of 2 and 3. Analytical data indicate a 1:1 stoichiometry between the ylide and Hg(II) halide in each of the three products. Theoretical studies indicate that the nature of the R group in ylides of the type Ph3PCHCOR has a weak effect on the Hg-C(ylide) bond length in binuclear Hg2L2I4 complexes. 相似文献
22.
Mahmoud Reza Sohrabi Azam Marjani Sadegh Moradi Mehran Davallo Saeed Shirazian 《Applied Mathematical Modelling》2011
Chemical absorption of carbon dioxide was studied theoretically using hollow-fiber membrane contactors in this work. A 2D mathematical model was developed to study CO2 transport through hollow-fiber membrane contactors. The model considers axial and radial diffusion in the membrane contactor. It also considers convection in the tube and shell side with chemical reaction. The finite element method (FEM) was used to solve the model equations. Modeling predictions were validated with the experimental data obtained from literature for CO2 absorption in amine aqueous solutions as solvent. The modeling predictions were in good agreement with the experimental data for different values of gas and liquid velocities. The liquid solvents considered for this study include aqueous solutions of monoethanolamine (MEA), diethanolamine (DEA), N-methyldiethanolamine (MDEA), 2-amino-2-methyl-1-propanol (AMP) and potassium carbonate (K2CO3). The simulation results indicated that amine aqueous solutions were better than K2CO3 aqueous solution for CO2 absorption. Also simulation results revealed that the removal of CO2 with aqueous solution of MEA was the highest among the amines solvents. The hollow-fiber membrane contactors showed a great potential in the area of CO2 absorption. 相似文献
23.
Sadegh Salehzadeh Yasin Gholiee Mehdi Bayat 《International journal of quantum chemistry》2011,111(14):3608-3615
For the first time, a simple methodology is reported for theoretical calculation of microscopic protonation constants of polybasic molecules in solution. Density functional theory study was used for complete microequilibrium analysis of spermine, H2N(CH2)3NH(CH2)4NH(CH2)3NH2, a linear tetraamine with 16 known microspecies. A general thermodynamic cycle is proposed to calculate protonation microconstants of polybasic molecules using calculated micro‐ΔG values in aqueous solution. The microscopic protonation constants were determined with considering both the most abundant and most stable conformers for all microspecies. The results show that the microscopic protonation constants derived from the most abundant conformers (i.e., linear conformers in which the intramolecular hydrogen bonding does not exist) are in good agreement with the corresponding available experimental data. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011 相似文献
24.
Ü. Kotta N. Sadegh 《Mathematical and Computer Modelling of Dynamical Systems: Methods, Tools and Applications in Engineering and Related Sciences》2013,19(1):21-32
This paper studies the necessary and sufficient conditions for observable realization of a general class of nonlinear high-order input-output difference equations. In particular, it proves the equivalence of the two seemingly different existing approaches in the literature. The paper also provides a subclass of NARMA input-output models that are guaranteed to have an observable realization. It is shown that this class covers several important subclasses of existing NARMA models. 相似文献
25.
In this paper, the importance of molecular diffusion versus turbulent transport in the moderate or intense low-oxygen dilution (Mild) combustion mode has been numerically studied. The experimental conditions of Dally et al. [Proc. Combust. Inst. 29 (2002) 1147–1154] were used for modelling. The EDC model was used to describe the turbulence–chemistry interaction. The DRM-22 reduced mechanism and the GRI 2.11 full mechanism were used to represent the chemical reactions of an H2/methane jet flame. The importance of molecular diffusion for various O2 levels, jet Reynolds numbers and H2 fuel contents was investigated. Results show that the molecular diffusion in Mild combustion cannot be ignored in comparison with the turbulent transport. Also, the method of inclusion of molecular diffusion in combustion modelling has a considerable effect on the accuracy of numerical modelling of Mild combustion. By decreasing the jet Reynolds number, decreasing the oxygen concentration in the airflow or increasing H2 in the fuel mixture, the influence of molecular diffusion on Mild combustion increases. 相似文献
26.
The purpose of this study was to extract impurities from compounds using a simple separatory bottle to purify target compounds with a foam column and allow for the further characterization of impurities. Charged dyes were used as target compounds due to the ease of detection of dyes and isolated impurities. Foaming agents were used in a glass bottle with a modified cap to separate a target impurity using an appropriately charged ligand. By passing N2 gas through the solution, the surfactants sodium dodecyl sulfate and cetylpyridinium chloride generated foams that separated the dyes, Methylene blue and Orange G, respectively, from a solution containing both dyes. Sodium dodecyl sulfate condensed Methylene blue from the solution with high purity while cetylpyridinium chloride condensed Orange G with less purity. A range of concentrations (0.01–0.5 mmol/L) of dyes were used for separation. The condensability (volume and/or concentration) of the target compound increased as its concentration decreased. This novel separation method is a simple, rapid, inexpensive, and effective way to prepare samples and allows for the characterization of these impurities using sensitive analytical detection techniques. 相似文献
27.
Dr. Esmail Doustkhah Prof. Dr. Jianjian Lin Prof. Dr. Sadegh Rostamnia Prof. Dr. Christophe Len Prof. Dr. Rafael Luque Prof. Dr. Xiliang Luo Prof. Dr. Yoshio Bando Prof. Dr. Kevin C.-W. Wu Dr. Jeonghun Kim Prof. Dr. Yusuke Yamauchi Dr. Yusuke Ide 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(7):1614-1635
Sulfonic acid based mesostructures (SAMs) have been developed in recent years and have important catalytic applications. The primary applications of these materials are in various organic synthesis reactions, such as multicomponent reactions, carbon–carbon bond couplings, protection reactions, and Fries and Beckman rearrangements. This review aims to provide an overview of the recent developments in the field of SAMs with a particular emphasis on the reaction scope and advantages of heterogeneous solid acid catalysts. 相似文献
28.
The channels of mesoporous (SBA-15) represent a straightforward reactor for the rapid synthesis of indazolophthalazinetrione skeletons via three-component coupling reactions in 2,2,2-trifluoroethanol. The solid SBA-15 and TFE could be recovered and reused. The present method carries the advantage of being performed under neutral conditions and requires no activation or modification of the substrates. 相似文献
29.
Seyyed Javad Sabounchei Hassan Nemattalab Sadegh Salehzadeh Sima Khani Mehdi Bayat Hamid Reza Khavasi 《Polyhedron》2008
Reaction of phosphorus ylide Ph3PCHC(O)C6H4Cl (Y1) with HgX2 (X = Cl, Br and I) and ylide (p-tolyl)3PCHC(O)CH3 (Y2) with HgI2 in equimolar ratios using methanol as solvent leads to binuclear products. The bridge-splitting reaction of binuclear complex [(Y1) · HgCl2]2 by DMSO yields a mononuclear complex containing DMSO as ligand. O-coordination of DMSO is revealed by single crystal X-ray analysis in mononuclear complex of [(Y1) · HgCl2 · DMSO]. C-coordination of ylides is confirmed by X-ray structure of binuclear complex [(Y2) · HgI2]2. Characterization of the obtained compounds was also performed by elemental analysis, IR, 1H, 31P, and 13C NMR. Theoretical studies on mercury(II) complexes of Y1 show that formation of mononuclear complexes in DMSO solution in which DMSO acts as a ligand, energetically is more favorable than that of binuclear complexes. 相似文献
30.
Seyyed Hossein Miraghaie Ashkan Zandi Zahra Davari Mohamad Sadegh Mousavi-kiasary Zohre Saghafi Ali Gilani Yasin Kordehlachin Fatemeh Shojaeian Amir Mamdouh Zahra Heydari Farid Abedin Dorkoosh Babak Kaffashi Mohammad Abdolahad 《Macromolecular bioscience》2023,23(9):2300181
Pure positive electrostatic charges (PPECs) show suppressive effect on the proliferation and metabolism of invasive cancer cells without affecting normal tissues. PPECs are used for the delivery of drug-loaded polymeric nanoparticles (DLNs) capped with negatively charged poly(lactide-co-glycolide) (PLGA) and Poly(vinyl-alcohol) PVA into the tumor site of mouse models. The charged patch is installed on top of the skin in the mouse models' tumor region, and the controlled selective release of the drug is assayed by biochemical, radiological, and histological experiments on both tumorized models and normal rats' livers. It is found that DLNs synthesized by PLGA show great attraction to PPECs due to their stable negative charges, which would not degrade immediately in blood. The burst and drug release after less than 48h of this synthesized DLNs are 10% and 50%, respectively. These compounds can deliver the loaded-drug into the tumor site with the assistance of PPECs, and the targeted-retarded release will take place. Hence, local therapy can be achieved with much lower drug concentration (conventional chemotherapy [2 mg kg−1] versus DLNs-based chemotherapy [0.75 mg kg−1]) with negligible side effects in non-targeted organs. PPECs have many potential clinical applications for advanced-targeted chemotherapy with the lowest discernible side effects. 相似文献