in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...

a novel acrylic acid-functionalized fe3o4 magnetic nanoparticle with a core-shell structure was developed for utilization as a heterogeneous organosuperacid in chemical transformations. the structural, surface, and magnetic characteristics of the nanosized catalyst were investigated by various techniques such as transmission electron microscopy (tem), thermogravimetric analysis (tga), and ft-ir...

in this thesis, a new optically active poly(amide-imide) (pai) was synthesized by the indirect polycondensation reaction of the l-phenylalanine based diacid chloride and 4,4?-diaminodiphenylether in the presence of triethylamine in n-methyl-2-pyrrolidone. the formation of pai was confirmed by ftir, 1h nmr and elemental analysis. in next step, the surface of titanium dioxide (tio2) nanoparticles...

in this thesis, a better reaction conditions for the synthesis of spirobarbiturates catalyzed by task-specific ionic liquid (2-hydroxy-n-(2-hydroxyethyl)-n,n-dimethylethanaminium formate), calcium hypochlorite ca(ocl)2 or n-bromosuccinimide (nbs) in the presence of water at room temperature by ultrasonic technique is provided. the design and synthesis of spirocycles is a challenging task becaus...

terms of address as an important linguistics items provide valuable information about the interlocutors, their relationship and their circumstances. this study was done to investigate the change route of persian address terms in the two recent centuries including three historical periods of qajar, pahlavi and after the islamic revolution. data were extracted from a corpus consisting 24 novels w...

در این پژوهش نحوه ساخت نانوکامپوزییت eva/ag و اثر ضد میکروبی آن در درصدهای مختلف نانو ذره نقره مورد بررسی قرار گرفته است.نانوکامپوزیت حاصل از نطر شکل شناختی ، اندازه ذرات، ساختمان شیمیایی ، با استفاده از تستهای sem(scanning electrou microscopy)،tem (transmission electron microscope) ، xrd (x-ray fluorescence spectroscopy) ،ftir (fourier transform infrared spectroscopy) مورد ارزیابی قرار گرفت. د...