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...

1- in a search directed to the reaction of compound)23(the cycloaddition reaction of 1,3- diphenylisobenzofurane)14(with p-benzoquinone)19(,followed by addition of cyclopentadiene was carried out.the specific spacial stracture of its ir,nmr,mass spectra. 2- in another attempt the kinetic stability and behavior of compounds)20(and)23(was studied.the main subject of this study was the highly reve...

abstract ion selective electrodes (ises) are electrochemical sensors that respond selectivity to the activity of ionic species. an ion-selective electrode is an electrochemical device that uses a thin selective membrane or film as the recognition element, and is an electrochemical half-cell equivalent to other half-cells of the zeroth (inert metal in a redox electrolyte). in common methods o...

‏‎the main purpose of this research was to:1.develop a coking model for thermal cracking of naphtha.2.study coke inhibition methods using different coke inhibitors.developing a coking model in naphtha cracking reactors requires a suitable model of the thermal cracking reactor based on a reliable kinetic model.to obtain reliable results all these models shall be solved simultaneously.for this pu...

abstract in first part of this project, the use of a new and biguanid-like catalyst supported on silica as a recyclable catalyst provides a new route for the synthesis of a variety of arylalkylidene rhodanine derivatives through knoevenagle reaction in at present of solvent at room temperature. rhodanine derivatives and especially arylalkylidene rhodanines have proven to be attractive compound...

in this work, a novel and fast method for direct analysis of volatile compounds (davc) of medicinal plants has been developed by holding a filament from different parts of a plant in the gc injection port. the extraction and analysis of volatile components of a small amount of plant were carried out in one-step without any sample preparation. after optimization of temperature, extraction time a...