Kiomars Bahrami

   this study, the preparation of heterogeneous Ca-CeO nanocatalyst by microemulsion method and its use as a catalyst in the transesterification reaction for biodiesel production from sunflower oil are investigated. Different variables, including Ca to Ce molar ratios, calcination conditions, reaction temperature and time, alcohol to oil molar ratio, and catalyst to oil weight percentage, affect the transesterification reaction and the performance of Ca-CeO nanocatalyst. One of the goals of this project is to optimize these variables in order to achieve maximum biodiesel yield. According to the results of optimizing the operating conditions for biodiesel production in the presence of Ca-CeO nanocatalyst during the esterification process with sunflower oil, at a calcination temperature of 800 and a calcination time of 5 hours, a molar ratio of (2:1) Ca to Ce, a reaction temperature of 65, a reaction time of 3 hours, a molar ratio of methanol to oil of 15:1 and a weight percentage of catalyst to oil of 5%, a yield of 95.99% has been reported. The prepared Ca-CeO nanocatalyst has also been investigated by instrumental methods such as SEM, EDAX, XRD, BET and FT_IR.

  Abstracts??UiO-66-NH?@WCl?/H?O? as a Robust MOF-Based Catalyst for Chemo-Selective Oxidation of Sulfides to Sulfoxides and Sulfones under Green and Sustainable Conditions

Unsaturated polyester resin (UPR) is widely used in the composite industry due to its desirable properties such as low cost and good processability. However, its low corrosion resistance, high brittleness, and flammability limit its applications in various industrial fields. To overcome these limitations, the incorporation of reinforcing particles into the resin has recently been proposed as an effective approach. In this study, bimetallic metal–organic frameworks (Fe/Al-BDC-NH?) were employed as reinforcing additives to investigate their effect on the physical–mechanical properties and corrosion resistance of unsaturated polyester resin. Owing to their hybrid structure, the MOF particles—with metallic sites enhancing mechanical performance and organic linkers enabling interfacial bonding with polymer chains—prevented particle sedimentation and improved the uniformity and adhesion of the polymer network. Structural and performance analyses of the composites were carried out using XRD, FT-IR, FE-SEM, DMA, and electrochemical impedance spectroscopy (EIS). The results revealed that the incorporation of a small amount of Fe/Al-MOF significantly increased the storage modulus, improved interfacial adhesion, enhanced electrochemical stability, and reduced the permeability of the resin in corrosive environments. Overall, the presence of bimetallic MOF particles remarkably improved the mechanical and anti-corrosion performance of the unsaturated polyester resin and offers a promising route for developing high-performance, corrosion-resistant coatings and composites for industrial applications.   

Abstract: In this thesis, simple and novel nano probes were synthesized for the fluorescence-electrochemical detection of Tau protein in Alzheimer’s disease. Chapter 1: This introductory chapter is intended to give a basic overview of the current understanding of CDs and their properties, CDs fluorescent sensing mechanism, ratiometric sensing, and different types of CDs mechanisms. Chapter 2: Dual-emissive CDs were synthesized by incorporating blue-emitting and red-emitting carbon dots. These CDs served as a ratiometric probe for the detection of Tau protein in AD. The resulting material displayed dual emissions with peaks at 502 nm and 634 nm when excited at 410 nm. Consequently, a novel detection method for the Tau protein utilizing the NCND@GO/S.CD@ssDNA sensor was established, featuring detection limits of 1 nM to 50 nM (LOD=5 pM). As a ratiometric fluorescent sensor, NCND@GO/S.CD@ssDNA exhibited remarkable sensitivity and selectivity for the detection of Tau protein in AD. Chapter 3: Reports the fabrication of a sensitive label-free immunosensor for Tau protein based on the Ag NWs and S.CD using differential pulse voltammetry (DPV). The response of the fabricated immunosensor was proportional to the Tau protein concentration, demonstrating linearity within the range of 70 fg/ml to 70 µg/ml, with a low detection limit (LOD=0.05 pg/ml). The immunosensor also exhibited superior stability, selectivity, and reproducibility.    Keywords: Dual-mode immunosensor, dual-emissive CDs, GO, FRET, Ag nanowire, Alzheimer's Disease, Tau protein.   

Hollow nanostructures are gaining attention due to their unique architecture, which enhances adsorption efficiency. In this study, a MoS?@Co?S? composite was synthesized via a hydrothermal method using ZIF-67 as a precursor. The hollow Co?S? polyhedrons support uniformly distributed MoS?, preventing aggregation and increasing surface area and active sites. Characterization was conducted using SEM, XRD, FT-IR, N? adsorption-desorption, and EDS mapping. The composite showed excellent adsorption capacities for Methyl Violet (MV) and Victoria Blue (VB) dyes (423 mg/g and 419 mg/g, respectively) in neutral aqueous solutions. Adsorption data fitted well with the Langmuir (R² = 0.99) and Temkin (R² = 0.95) models, suggesting monolayer adsorption and strong electrostatic interactions. Kinetic studies revealed rapid dye uptake, and the material retained performance over five reuse cycles, highlighting its potential in dye wastewater treatment.   

   The evaluation of honey quality and its components, especially sugars, is of great importance. Honey mainly consists of sugars such as fructose and glucose, and the ratio of these sugars can indicate the purity and naturalness of honey. In this study, the analysis and determination of sugars in honey were carried out using colorimetric methods and chemical techniques. In the first part, the amount of sugars in honey samples was measured using the modified Lane-Eynon method and Fehling’s solutions. By applying experimental design, optimal conditions for the reaction were determined. A total of 13 experimental tests were conducted to examine the effects of different reagent volumes and environmental conditions on the reaction response. The results showed that the optimal volumes for Fehling’s solution A and B were 250 µL and 1500 µL, respectively. Additionally, the total reaction time under these conditions was 9 minutes, and the optimal heater temperature was recorded as 69°C. The experiments were performed and RGB values from samples were measured. The calibration curve was plotted in the concentration range of 3×10?? to 1×10?³ M, confirming its linearity. The maximum relative error was less than 1.35%, indicating the high accuracy of the method. Also, the maximum standard deviation was 12.43%, and the maximum relative standard deviation was 7.82%. The color change from blue to red, along with the recorded RGB values, was used as the basis for glucose calculations. The obtained values were compared with standard results, and then sucrose amounts in the samples were determined through hydrolysis. In the second part, compounds such as copper(II) sulfate, sodium hydroxide, and potassium hexacyanoferrate were used to investigate the chemical reaction between copper and sugars present in honey solutions. Following optimization through experimental design and 20 experimental tests, optimal conditions were established. The optimal reagent volumes were found to be 600 µL of copper sulfate solution, 750 µL of sodium hydroxide solution, and 400 µL of potassium hexacyanoferrate solution. The total optimal reaction time was 8 minutes, with the heater temperature again set at 69°C. A color change from green to brown and increased precipitate formation were observed due to glucose concentration variations in the samples. The color change of the solution is considered a qualitative indicator for confirming the presence of reducing sugars in honey samples. Moreover, the intensity of the color change is directly related to the concentration of reducing sugars present in the sample, such that an increase in sugars leads to a higher amount of metallic copper precipitate and consequently, a more intense color change. Additionally, by performing titration on various honey samples, the glucose content is determined. The findings of this research not only aid in the precise identification of sugars in honey but also allow for the assessment of honey quality and authenticity through sugar analysis. These results can be effective in detecting adulterated versus natural honey and improving production and quality control processes.   

The term ionic liquids (IL) refer to salts that exist in liquid form below 100 °C or even at room temperature. An ionic liquid is a combination of cations, usually organic, and anions, organic or inorganic. Ionic liquids are considered as green solvents because they have a very low vapor pressure under ambient conditions and are therefore known to be non-volatile, and they remain liquid over a wide range of temperatures, and also because of their composition.Regulation of anions and cations showed a wide range of solubility of biopolymers. We discussed the advantages of ionic liquid compounds, but disadvantages such as difficult separation and low catalytic activity in small amounts are presented as two basic problems for these ionic liquid compounds. A logical solution to solve these two problems is to heterogeneous ionic liquids on polymer substrates. Based on this, in the first project, an acidic ionic liquid is placed on the lignin substrate, which is a group of complex organic polymers that are environmentally friendly, highly modifiable, cheap and readily available. For this purpose, we first modify the surface of lignin with 3-aminopropyltrioxysilane (APTES) to create amino groups on the surface of lignin. Next, by adding phosphomolybdic acid, a supported ionic liquid compound with an acidic character will be created, and finally this catalyst is used for the multicomponent synthesis of heterocyclic compounds such as 2,3-dihydro-4(1H) quinazolinone. The stable and heterogeneous nature of the catalyst was also investigated using the hot filtration test under optimal reaction conditions. Also, green chemistry metric calculations showed that this method is quite efficient compared to other homogeneous and heterogeneous catalytic systems, and at the same time produces less waste, which is more favorable from the point of view of green chemistry. In addition, EDX, FT-IR and XRD of the reused catalyst showed good stability after the sixth recovery.  

   Mercury ions are not degradable and their abnormal accumulation in the human body can cause various diseases. It is very important to develop a method with excellent performance to identify mercury ions in the environment. The fluorescent probe has attracted much attention due to its excellent properties (eg, easy operation, low detection limit). Composites of carbon dots and organometallic frameworks are emerging as fluorescent sensors due to their ease of synthesis, high selectivity and sensitivity to analytes. Carbon dots and metal organic frameworks sensors combine the advantages of both carbon dots and metal organic frameworks, including the excellent optical properties of carbon dots and high surface area, tunable porosity, and design capabilities of metal organic frameworks, leading to increased performance. In this work, using composites containing carbon dots and organometallic frameworks along with metal nanoclusters, we designed probes that can detect small amounts of mercury.

  In chapter 1, the growing consumption of conventional fossil fuels and accompanying environmental contamination are affecting global society on an unprecedented scale. Consequently, thereis a quite imminent need to fundamentally adjust the world energy landscape and build clean, low-carbon, safe, and efficient modern energy systems. As an ideal clean chemical fuel with superb gravimetric energy density and energy conversion efficiency, hydrogen energy is expected to be an excellent candidate to replace traditional fossil fuels. Electrochemical water splitting is considered to-be one of the most promising hydrogen production technologies, and it can utilize electricity generated via renewable energy sources, such as solar energy, wind power, geothermal energy, and bioenergy, to form a closed loop of renewable energy. Unfortunately, the large-scale commercial application of electrochemical water splitting is subject to the following three restrictions: (i) a larger overpotential than the theoretical value (1.23 V) needed to drive overall water splitting; (ii) the poor stability of electrode materials; and (iii) high cost caused by the scarcity of noble-metal electrocatalysts. To date, the benchmark electro catalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) are Pt-group- and Ru/Ir-based noble metal materials with small overpotentials and low Tafel slopes. These noble metals can suffer from dissolution, agglomeration, and poor durability during the water splitting process. The design of electrocatalysts with high electrocatalytic activity is of great importance to reduce the overpotential and improve the efficiency of water decomposition.   

  Measuring water hardness using nanocellulose substrate is the goal of our work

  Abstract  The purpose of this study was to remove methylene blue dye from aqueoussolution using modified zeolite ZSM-5 and to investigate the effect ofdifferent parameters on the efficiency of dye absorption by this nano adsorbent.   In this project, atfirst, to increase the porosity, the zeolite wasmodified using sodium hydroxide base, and after calcination using the dopingprocess, nickel metal was placed in the zeolite structure, in such a way that asolution of nickel nitrate with the modified zeolite from the first step It wasinoculated for 5 hours at 70°C and then precipitated with sodium carbonateprecipitating agent. After drying at 110 degrees, the resulting sediment wascalcined in an electric furnace at 600 degrees for 5 hours. In the next step,the influencing factors in increasing the absorption of dyes, such as weightpercentage of metal, amount of absorbent, time Absorption, pH and temperaturewere investigated and optimized. For this purpose, methylene blue dye with aconcentration of 10-5 was prepared and ZSM-5 zeolite modified with sodiumhydroxide and nickel nitrate solution containing 10% by weight. 15, 20, 25, and30 percent by weight of nickel was modified and after filtration andcalcination, 0.05 grams of it was mixed with 10 ml of methylene blue colorsolution for 30 minutes, and finally the amount of color absorption by TheUv-Vis device was examined. In this investigation, it was found that the nanoadsorbent with 30% by weight of nickel absorbed the desired color to a greaterextent, so this adsorbent was used in the next stages of the experiment. Inorder, other factors affecting the absorption efficiency were alsoinvestigated, and finally, the optimal amount of adsorbent equal to 0.07 grams,the optimal time of 15 minutes, the optimal pH of 11 and finally the optimaltemperature of 60 degrees Celsius were obtained and The optimal conditions forthe maximum absorption of dyes were determined.    The prepared adsorbent was investigated using XRD, FTIR, SEM, etc.methods. Absorption tests were measured by a visible light absorption (Uv-Vis)device.   Finally, with the kinetic investigations, it was determined that thereaction follows the pseudo-second-order kinetic model. In this investigation,the numerical value of K for the pseudo-first-order kinetic model is ./49. andfor the pseudo-second-order kinetic model, the value is ./01. The correlationcoefficient for the pseudo-first-order kinetic model was also found to be ./663and for the pseudo-second-order kinetic model ./997 Calculated.    Keywords

   Photooxidation of sulfides to sulfones and photooxidative desulfurization with H2O2 in the Presence of MOF-808 Visible light-induced photocatalysis is a promising way for green chemistry goals due to efficient utilization of solar energy. Recently, metal–organic frameworks (MOFs) have attracted increasing attention in the field of photocatalysis. In comparison with traditional metal oxide semiconductors, MOFs have many advantages, such as high specific surface area, rich topology and easily tunable porous structure.   In first section, the successful synthesis of MOF-808 is presented. The structure of the as-prepared MOF-808 was characterized by X-ray diffraction (XRD), N2 adsorption–desorption, Field emission scanning electron microscopy (FESEM), Energy dispersive X-ray (EDX) mapping analysis, Fourier transform infrared spectroscopy (FTIR), and Thermogravimetric analysis (TGA). MOF-808 was used as a photocatalyst for the oxidation of sulfides to sulfones in the presence of H2O2 under visible light with high selectivity. Furthermore, the system exhibited excellent performance for the oxidation of dibenzothiophene to the corresponding sulfone. Photooxidation of sulfides to sulfoxides with H2O2 in the Presence of NH2-MIL-101(Fe) In this section, NH2-MIL-101(Fe) is fabricated through a general facile strategy. Then, oxidovanadiumIV acetylacetonate ([VO(acac)2]) was immobilized successfully into the NH2-MIL-101(Fe) framework (NH2-MIL-101(Fe)/VO(acac)2). The resulting nanomaterials were characterized by several techniques. NH2-MIL-101(Fe)/VO(acac)2 subsequently tested for its photocatalytic activity in the selective photo-oxidation of sulfides. The NH2-MIL-101(Fe)/VO(acac)2 photocatalyst provided up to 98% sulfide conversion with over 99% selectivity for sulfoxide.

   Abstract The thesis consists of two section: Oxidation sulfide to sulfoxide Metal-organic frameworks (MOFs) have attracted a lot of attention in the field of photocatalysis because MOFs make shift from using photocatalyst in UV to visible light and improve photocatalytic activity and selectivity. In this work, Ti-MOF (NH2-MIL-125(Ti)) was synthesised by solvothermal method, then NH2-MIL-125(Ti)@CuCoNi was prepared by loading trimetallic Cu-Co-Ni nanoparticles (  ) on NH2-MIL-125(Ti) through a solution impregnation method for use as a heterogeneous photocatalyst.   The crystallinity, functional groups, morphology, elemental composition, specific surface area, thermal stability and optical properties of the catalyst were characterized by different techniques, such as Powder X-Ray diffraction (PXRD), Fourier transform infrared spectra (FTIR), Field emission scanning electron microscopy (FE-SEM), Energy dispersive spectroscopy (EDS), Brunauer–Emmett–Teller analysis (BET), Thermogravimetric analysis (TGA) and UV-Vis diffuse reflectance spectra (DRS). The NH2-MIL-125(Ti)@CuCoNi was used for the selective photocatalytic oxidation sulfides to sulfoxides in the presence of H2O2 30% under visible light irradiation and the products were obtained with good to high yields. Dye degradation   H2-MIL-125(Ti)@CuCoNi was used as high efficiency heterogeneous photocatalyst for the degradation of Rhodamine B dye under optimal conditions and visible light irradiation. the degradation rate of Rhodamine B in the presence trace amount of H2O2 30% under visible light irradiation was 96.28%. Keywords: Metal-organic framework, NH2-MIL-125(Ti), NH2-MIL-125(Ti)@CuCoNi, Nanoparticles, Photocatalyst, Oxidation, Sulfide, Sulfoxide, Dye degradation.

This thesis has been carried out in two parts: The Fe3O4-APTES-RL-CuO catalyst was synthesized, characterized, and utilized for the one-pot ultrasound-assisted synthesis of 1,4-dihydropyridines. In this study, Fe3O4-(3-aminopropyl) triethoxysilane nanocomposite was modified with a biocompatible carbohydrate D-(+)-ribonic ?-lactone (RL) and then, it was immobilized with CuO nanoparticles to produce Fe3O4-APTES-RL-CuO as a Lewis acid catalyst. The obtained catalyst was used as a green and effective heterogeneous catalyst for the one-pot ultrasound-assisted synthesis of 1,4-dihydropyridines in ethanol. For establishing the optimum conditions, different parameters such as solvent, ultrasound power, temperature, time, and catalyst loading were investigated. Due to the presence of metal nanoparticles (Fe3O4, CuO) and D-(+)-ribonic ?-lactone with plenty of hydroxyl groups on its surface for catching CuO   , this green nanocatalyst can be used for synthesis of different organic compounds such as 1,4-dihydropyridines (1,4-DHPs) with high yields (95?) and short reaction time (15 min). This nanomagnetic catalyst can be separated easily and cleanly and also can be reused five times without remarkable loss of its activity. To illustrate the structure of the catalyst and characterize its physicochemical properties, various techniques like FT-IR, XRD, FE-SEM, EDS, TGA, and VSM were applied. The Fe3O4-PAT-CuO catalyst was synthesized, characterized, and utilized for the one-pot synthesis of 2,4,5-triaryl-imidazoles. Herein, Fe3O4    were modified with poly (2-aminothiazole) polymer then, it was immobilized with CuO nanoparticles and introduced as a nanoatalyst with superior performance for the one-pot synthesis of 2,4,5-triaryl-imidazoles in EtOH media. Various parameters like solvent, temperature, time, and catalyst loading were evaluated for determining the optimal conditions. This nanocatalyst can be separated easily from the reaction mixture by an external magnetic field and can be reused five consecutive times without significant loss of its activity. For illustrating the structure of the catalyst and characterizing the physicochemical properties, different techniques such as FT-IR, XRD, FE-SEM, EDS, TGA, and VSM were applied.    This thesis has been carried out in two parts: The Fe3O4-APTES-RL-CuO catalyst was synthesized, characterized, and utilized for the one-pot ultrasound-assisted synthesis of 1,4-dihydropyridines. In this study, Fe3O4-(3-aminopropyl) triethoxysilane nanocomposite was modified with a biocompatible carbohydrate D-(+)-ribonic ?-lactone (RL) and then, it was immobilized with CuO nanoparticles to produce Fe3O4-APTES-RL-CuO as a Lewis acid catalyst. The obtained catalyst was used as a green and effective heterogeneous catalyst for the one-pot ultrasound-assisted synthesis of 1,4-dihydropyridines in ethanol. For establishing the optimum conditions, different parameters such as solvent, ultrasound power, temperature, time, and catalyst loading were investigated. Due to the presence of metal nanoparticles (Fe3O4

Diethanol ammonium formate as a base Bronsted chemoselctive ionic liquid was synthesized as follows. Dropwise addition of formic acid was done in ice cold diethanol amine. Ice bath was removed once the addition was completed after 45 min and the ionic liquid was obtained after 24 h with excellent yields. Diethanol ammonium formate as a chemoselective Bronsted basic ionic liquid catalyst reported for the Knoevenagel condensation of aromatic aldehydes with malononitrile to synthesis of arylidene malononitrile derivatives. This ionic liquid has advantages such as high stability, low cost raw materials, air insensitivity and mild reaction conditions. A variety of 2-substituted perimidine derivatives obtained from the reaction of naphthalene 1,8-diamine with aryl aldehydes in the presence of dimethyl ammonium formate at room temperature. High to excellent yield of products, short reaction times and low cost are some of the significant advantages of this method.

      First of all, thanks God for countless blessings all through my life. Without his assistance, no work was possible. There is no doubt that no one can complete his dissertation without a good deal of help along the way and this thesis is certainly not an exception. I would like to express my sincere thanks to my supervisor, Dr. Kiumars Bahrami, who encouraged and guided me to finish this thesis. I don't think I can fully express my sincere gratitude and I am always indebted to him and I wish him health and success. I am also very grateful to the members of my thesis committee who read my thesis.

120 In the first work of this project cellulose nanocrystals (CNC) were first prepared by acid hydrolysis and its structure was determined by Fourier Transform Infrared Spectroscopy (FT-IR) and Field Emission Scanning Electron Microscopy (FE-SEM). Measurement of hypochlorite ion was used in water samples. Under optimal conditions, the standard deviation of the method for 5 repetitions equals 9.48%, and the linear range, detection limit, and quantification limit of the method were 0.01 to 0.18 wt%, 0.007 wt% and 0.01 wt%, respectively for Red color changes Also, the detection lmit and quantification limit for Green color changes was equal to 0.007wt% and 0.024 wt% and for Blue color it was equal to 0.013 wt% and 0.043 wt%.

  Abstract  Breast cancer is one of the most serious threats to women's health. Currently, conventional treatment methods for cancer, such as chemotherapy and radiotherapy, often prove to be less suitable due to the side effects they induce in tissues and other organs, making them less effective. In recent years, the utilization of nanotechnology has paved the way for the design and synthesis of various nanocarriers that can specifically deliver therapeutic agents to tumor cells. Biopolymer-based nanocarriers, including protein-based nanocarriers, have gained significant attention in research due to their low toxicity, biocompatibility, biodegradability, and ability to modify their structures. Sericin, one of the major proteins in silk, consisting of 18 amino acids, possesses high biodegradability, non-toxicity to normal cells, and also exhibits a pH-charge reversal characteristic, resulting in the increased release of the therapeutic agent in the tumor microenvironment. The anti-solvent precipitation (Asp) method will be employed to prepare the sericin-based protein nanocarrier. In this method, sericin protein is initially dissolved in an organic solvent, and by slowly adding it to a non-solvent, sericin molecules undergo self-assembly to form nanocarriers. This study aims to utilize sericin silk protein-based nanocarriers for encapsulating the anticancer drug cisplatin. It is well-established that cisplatin exerts its cytotoxic properties by binding to nuclear DNA and interfering with DNA replication and transcription mechanisms. In a slightly acidic tumor condition, the surface charge of sericin undergoes a pH-driven conversion from negative to positive, demonstrating that pH can regulate surface charge. The positively charged nanocarriers in the acidic tumor environment, facilitate enhanced interaction with tumor cells due to the charge attraction between the positively charged nanocarrier and the negatively charged surface of the cancer cells.

  ulfite is widely

The photocatalysts containing bimetallic CuNi nanoparticles (  ) were successfully synthesized by in-situ reduction of Cu2+ and Ni2+ salts inside the highly porous and photoactive Ti-based metal-organic framework (MOF), NH2-MIL-125, via impregnation method.   The resulting composite, CuNi@NH2-MIL-125, was characterized by various techniques such as Fourier transform infrared spectroscopy (FT-IR), powder X-ray diffraction (PXRD), field emission scanning electron microscopy (FE-SEM), thermogravimetric analysis (TGA), UV-vis diffuse reflectance spectroscopy (DRS), Brunauer-Emmet-Teller (BET) surface area, and X-ray photoelectron spectroscopy (XPS). The one-pot synthesis of 1,4-dihydropyridines (1,4-DHPs) was investigated utilizing the composite photocatalyst via pseudo four-component (4-CR) reaction between aromatic aldehydes, ethyl acetoacetate, and ammonium acetate promoted under visible light irradiation in mild conditions. Products were selectively formed in good-to-high yields. Moreover, the work discloses, for the first time, a simple and environmentally friendly approach for the direct synthesis of ?-acetamido ketones via one-pot thermo-photocatalytic approach using a photoactive CuNi@NH2-MIL-125 in the absence of any chemical additive.

  The main goal of this thesis is to modify iron-basedmetal-organic frameworks (MOF), MIL-101-NH2, with metalnanoparticles (  ) as efficient catalysts in organic syntheses. In thisregard, the metal    were synthesized in two steps including the preparationof bimetallic    in core-shell form. The as-synthesized CuO@Ag    areencapsulated inside the pores of the MOF and characterized by various techniquessuch as FTIR, XRD, FE-SEM/EDS, TGA, and DRS. The photocatalyst(CuO@Ag/MIL-101-NH2) showed appropriate performance for thesynthesis of benzimidazoles and biaryls under visible light. The catalyticsystem was recycled and reused several times without a significant decrease inactivity.

In this thesis, the possibility of using three differentMagnetic nanocomposites to preparation adsorbents for removal of organic and inorganic contaminants from water hasbeen investigated. In the first work,magnetic nanocomposites (Fe3O4/rGO/MoS2and Fe3O4/LDH/MoS2) including of graphene oxide (GO), layered double hydroxide (LDH),magnetite (Fe3O4), and molybdenum disulfide (MoS2) were prepared viaa hydrothermal process and effectively applied for the removal of metal Hg2+ions from aqueous solutions. The synthesized nanocomposites were characterizedby Fourier transform infrared (FTIR), Raman,scanning electron microscopy (SEM), Powder X-ray diffraction (XRD) and BET. Results showedthat the MoS2 layers had been successfully grown on the surface of LDH and rGO layers. All measurements were performed by electrothermal atomicabsorption spectroscopy (EAAS). Differentfactors (the pH, adsorbent dosage,initial concentration) affecting the removal process were studied. The adsorptionkinetic curves for Hg2+ ions fitted well with the pseudo-secondorder model. The adsorption isotherms were well described using Langmuirisotherm. The maximum adsorption capacity (Qm)for Fe3O4/rGO/MoS2and Fe3O4/LDH/MoS2 were calculated to be 544, and 289 (mg.g-1) respectively.In the second work, magnetic nanocomposites (Fe3O4/LDH/MoS2and Fe3O4/LDH) were prepared by ahydrothermal method and characterized using different tools such as SEM, XRD, FTIR and BET. Then, they were appliedfor removal of bisphenol A(BPA), 4-nonylphenol (4-NP),estrone (E1) and 17?-estradiol (E2) as examples of organic analytes. All measurements were performed by high performance liquidchromatography (HPLC). Some parameters influencing the removal such as pH, dosage of adsorbent and initial concentration of organic analytes were optimized. The pseudo-second-order kinetic and Langmuir isotherm models werewell-fitted with the experimental adsorption data.  

  In this study, the adsorption of Direct Red 23 (DR23)molecules as a color agent on metal-organic frameworks (MOFs) UiO?66, UiO?66-NH2,and HKUST-1 as absorbents were investigated. MOFs based on zirconium (Zr) metal(UiO) have shown a good adsorption capacity and after the adsorption process,they maintained their stability and had the ability to be reused, whichindicates the stability of these nano absorbents in the process of recovery andit is reusable. Compared to the UiO-66-NH2 adsorbent, the UiO-66nano-adsorbent showed a higher removal efficiency and adsorption capacity,which can be attributed to its larger pore size and higher surface area. HKUST-1nano-adsorbent based on copper (Cu) metal showed higher removal ability thanadsorbents based on Zr. These nano-adsorbents have been identified andinvestigated by various techniques such as scanning electron microscopy(FE-SEM), transmission electron microscopy (TEM), thermal gravimetric analysis(TGA), powder X-ray diffraction (PXRD), and infrared spectroscopy. (FT-IR).

در مطالعه ديناميك مولكولي (MD)، فرآيند اكسيداسيون تركيبات مبتني بر بنزيميدازول و بنزوتيازول در دماهاي اوليه مختلف توضيح داده شده است. فرآيند اكسيداسيون در سيستم هاي اتمي تعريف شده توسط دما، انرژي پتانسيل، انرژي پيوند، انرژي برهمكنش و تعداد محاسبه پيوند بين اتمي گزارش شده است. خروجي‌هاي MD دما و انرژي پتانسيل سيستم‌هاي تعريف‌شده را نشان مي‌دهند كه پس از 10 ns به نسبت محدود همگرا شده‌اند. براي شبيه‌سازي فرآيند تعادل در گروه NPT تحقيقاتي ما با استفاده از Nose-Hoover barostst اجرا شد. علاوه بر اين، محاسبات ما نشان مي دهد كه فرآيند اكسيداسيون با حداكثر شدت پس از 10 ns رخ مي دهد. همچنين نتايج MD نشان داد كه افزايش دماي اوليه در فرآيند اكسيداسيون تركيبات بنزيميدازول و بنزوتيازول پارامتر مهمي است و با بزرگ شدن اين پارامتر فيزيكي تا 375 كلوين، تعداد پيوندهاي بين اتمي به 1175 پيوند افزايش مي‌يابد كه اين تغيير پيوند نشان مي‌دهد كه فرآيند اكسيداسيون با شدت بيشتري رخ مي‌دهد. .  

  isphenol A [1] is a group of known endocrine disrupting compounds [2] and is an industrial chemical that is organic and toxic in aqueous media, such as: surface water, groundwater, Sewage, runoff, and waste disposal leachate have been identified and are major applications in the production of polycarbonate plastics in food storage containers such as water bottles and baby feeding bottles, food and beverage lining, and resin production. Has epoxy. The main problem in using this substance is its migration to the food inside the containers that contain bisphenol A and in the long run can cause serious problems such as thyroid disorders, blood pressure disorders and cardiovascular diseases, negative effects on reproductive factors. Men, obesity and .... Therefore, the identification of this toxic substance and its isolation and measurement in order not to exceed the permissible concentration for the human body is of great chemical importance. 1- In the first work, in order to identify and measure bisphenol A using a simple and practical method, a silver nanoparticle detector [3] with different carbon dots was used. In this work, first, environmental conditions such as acidic, alkaline or neutral environment, selection of carbon dot walnut, as well as the order of addition of reagents were optimized; Alkaline, nanoparticles made of walnut shell carbon and the order of adding the reagents are as follows: 1. H2O & BPA- 2.NaOH- 3.Ag   In this method, the standard deviation of 0.04, the detection limit was about 0.92 micrograms per liter. 2- In the second work, in order to identify and measure bisphenol A using a simple and practical method, other grease reactants [4] were used as an indicator for bisphenol A. In this method, various conditions such as the selection of the reactant and the order of addition of materials were optimized. Finally, 2-nitroaniline, sodium nitrite, chloric acid and sodium carbonate were used to identify bisphenol A using the following order: 1. (HCl + NaNO2 + 2-NitroAnilin) ??- 2.BPA -3.Na2CO3 The standard deviation in this method was 0.01, the detection limit was calculated to be about 0.65 micrograms per liter. 3. In the third work, polymeric adsorbents were used to remove bisphenol A from aqueous media. In order to be simple, practical, cheap and available, the polymer adsorbent selected was polyurethane (sponge [5]). Was calculated on the adsorbent g. 4. In the fourth work, in order to separate bisphenol A from aqueous media, activated carbon was used as the adsorbent. At room temperature, at pH = 10 and for 35 minutes using 0.04 g of adsorbent, the adsorption capacity of bisphenol A by activated carbon was 16.66 mg / g of adsorbent. Also, for desorption of bisphenol A from activated carbon, ethanol solution was used for washing. [1] BPA [2] ECDs [4] griss [5] spong

Unsaturated polyester resin is widely used in the composite industry. Addition of particles to unsaturated polyester resin improves thermal, physical-mechanical properties.The use of particles such as graphene, due to its special properties, is widely used in a variety of composites as a resisting and reinforcing agent. In this research, different particles such as graphene, graphene oxide and alumina in different weight percentages have been used to investigate the changes in thermal and physical-mechanical properties of polyunsaturated resin. According to studies, graphene, graphene oxide and alumina have had positive effects on the properties of resins.Thermal conductivity was obtained for samples with different weight percentages containing magnetic graphene oxide, magnetic graphene and alumina.The thermal conductivity of the samples in the cooked state and fully networked in different fluxes (1.024, 2.07, 3.024) watts has been investigated. It was observed that by adding a small amount of particles, the thermal conductivity increases compared to pure resin. It has also been shown that with the addition of magnetic oxide graphene, magnetic graphene and alumina, the thermal conductivity has also increased.The rate of increase in thermal conductivity varies depending on the amount of particles added to the resin. But the highest increase in thermal conductivity is related to magnetic graphene oxide 0.3%. The results obtained from DMA test showed that by adding particles to unsaturated polyester resin due to gravitational interactions between the resin surface functional group and OH functional group on the surface of magnetic graphene and magnetic graphene and thus creating a covalent bond. Strong modulus of storage increased compared to pure resin The first chapter introduces the structure of unsaturated polyester resin and the structure of the particles used and their properties.In the second chapter, according to previous studies, reports on mechanical and thermal properties are presented. Chapter 3 describes the synthesis of graphene oxide, how to convert graphene oxide to graphene, the synthesis of iron and how the particles are magnetized, as well as the tests performed. In the fourth chapter, the results of thermal test and DMA are analyzed in general.

  Unsaturated polyester resins have manyapplications in the composite industry. In thicker pieces made with this resin,a lot of heat is released in a short time during curing, inaddition, they have a low heat transfer coefficient. In thick sections, hightemperature differences between the center and the sample walls cause internalstresses. Therefore, adding particles with high thermal conductivity can helpto eliminate this defect. In this study, to investigate the changes in theproperties of unsaturated polyester resin containing Boehmite nanoparticles inweight percentages of 0.02, 0.05 and 0.3 and its hybrid with graphite andalumina particles in different weight percentages were used. The thermalconductivity of the samples made in heat fluxes of 1, 3 and 4 watts wasinvestigated. Also, DMA test was used to evaluate themechanical properties of the samples and the results were evaluated. Accordingto the results of thermal conductivity test, the highest rate of increase inthermal conductivity was obtained in the sample containing 0.05% by weight ofboehmite nanoparticles, which increased by 149% compared to neat resin. Also, inthe performed hybrid samples, the highest thermal conductivity coefficient isfirst related to boehmite / graphite hybrid, containing 0.025% by weightof boehmite / 0.025 graphite with thermal conductivity of 9.93 watts perkelvin and then for boehmite / alumina hybrid sample. Contains 0.05% by weightof boehmite / 0.5% by weight of alumina with a thermal conductivity of 7.45watts per kelvin, which have increased by 108% and 56%, respectively, comparedto neat resin. Also with you to the results obtained from the DMA test withincreasing the content of boehmite nanoparticles continuous storage modulusincreased. The highest increase in storage modulus was obtained in the 0.3% byweight sample of boehmite, which could be due to the stiffness and hardness ofboehmite nanoparticles. The OH groups at the particle surface can increase thestorage modulus relative to neat unsaturated polyester resin by creatinggravitational interactions with the OH, COOH and ester groups of alkyd chainsof unsaturated polyester resin. The use of boehmite / alumina particle hybridsalso led to better results than boehmite / graphite particle hybrids, due tothe fact that alumina particles have a smooth surface and spherical morphologythat reduce friction and improve mechanical properties in the system. The useof three-part boehmite / graphite / alumina hybrid in unsaturated polyesterresin increased heterogeneity and formed a non-uniform network in the systemcompared to neat resin.

   In the first part of this research, a simple hydrothermal method for the green synthesis of carbon dots from green walnut skin is presented. Then, silver nanoparticles were prepared by carbon dots prepared from green walnut skin by green synthesis method. In the second part of the research, using the interaction of silver nanoparticles with anions, cyanide and iodide ions were identified and measured in different real samples. The effect of various factors on increasing the interaction of nanoparticles and ions and thus increasing the adsorption of solutions was investigated and optimized.The basis of this method is to change the adsorption rate of silver nanoparticle solution in the presence of different concentrations of cyanide and iodide ions.RE(Random error) for measuring cyanide ion in university well and laboratory water samples was reported to be 6.7% and 8.03%, respectively.RE(Random error) has also been reported to measure iodide ions in laboratory and spring water samples at 1.7% and 5.95%, respectively.

An efficient supported ionic liquid catalyst is designed for the condensation reaction of aldehydes and dimedone. The Zr-based metal-organic framework (MOF), UiO-66-NH2, was initially functionalized with 1-(4-bromobutyl)-1H-imidazole and then 1,4-butane sultone to form a supported ionic-liquid (SIL). Next, HSO4– was exchanged with tetrafluoroborate, the catalyst exhibits excellent performance for the synthesis of derivative xanthenes. The UiO-66-NH2-ILBF4–-SO3H showed a synergistic effect on the efficiency of the reaction. The supported catalyst system was recycled simply by filtration and reused five times without a significant decrease in its activity. The catalyst was characterized with PXRD, FTIR, TGA, BET, FE-SEM, EDS, and elemental mapping.   

Today, human relationship with the environment is in crisis. This crisis is caused by inappropriate intervention, exploitation and profiteering destruction in the environment and has harmful effects on humans and the environment. Pollution caused by heavy metal ions such as mercury, which is daily increasing in amount and emission by the progress of industry, is one of the most important and dangerous environmental pollutants. The World Health Organization (WHO) has declared the maximum allowable amount of mercury in drinking water in the range of 0.006-0.002 mg / l, so sensitive and selective methods are very necessary to estimate the amount of mercury in aqueous environment. Among the organo-mercury compounds, dimethyl mercury (Hg (CH3) 2) is the most toxic compound because it can easily penetrate into living cells and pass through the membrane. [2] In aqueous media, bacteria convert mercury to dimethyl mercury. By digesting this compound by humans, their body notices noticeable complications such as neuronal damage. For example, when it enters the body of the pregnant mother, this compound enters the placenta and targets the fetal brain, causing the fetus to not grow. Over the years, many efforts have been made to develop effective methods for the detection of Hg2 + [3-4]. Among the various analysis methods available for the determination of Hg2 +, nano-based colorimetric methods are among the simplest and most accessible ones. Metal nanoparticles are bright and shiny due to the superficial plasmon resonance, which is a very desirable phenomenon for colorimetric sensors to detect Hg2 +. Silver nanoparticles are of particular interest because they are cheaper than gold nanoparticles and have higher extinction coefficients [5].   Iodat   and iodine are the two main forms of iodine in seawater. Until 1988, the main methods for measuring iodine species in seawater were the irreversible wave analysis of 5 electrons of iodat using differential pulse polarography or IO3 colorimetric measurements after conversion to I3 in acidic solution. Total iodine is measured chemically and photochemically by the conversion of iodide and organic iodine compounds to iodate. The colorimetric method is also a new method for detecting iodides using silver nanoparticles and nanoplates. The colorimetric method is to find the critical color in the color change process. Using this method, 0.1 M iodide can be detected in less than 30 minutes using the naked eye. In addition, this measurement has appropriate accuracy and stability [6-8]. Since iodine plays an important role in thyroid health, its accurate and sensitive measurement is important for improving thyroid health, controlling the thyroid gland, and treating thyroid cancer [9].   

جيوه كه آن را سمياب هم مي نامند عنصر شيميايي است، كه در جدول تناوبي داراي عدد اتمي 80 مي باشد. جيوه كه فلزي سبك، نقره اي، سمي و جز عناصر واسطه مي باشد يكي از دو عنصري است كه در دماي معمولي اتاق حالت مايع دارد. جيوه را چيني ها و هندي هاي باستان شناخته بودند. در گورهاي متعلق به 1500 سال قبل از ميلاد يافت شدند. يونانيان از اين فلز سمي در پمادها و روميان در لوازم آرايشي استفاده كردند. بيشترين كاربرد جيوه در ساخت مواد شيميايي، صنعتي وكاربرد برقي و الكتريكي است. وجود غلظت هاي قابل ملاحظه جيوه در آب معمولا در اثر تخليه پساب هاي معدني، صنعتي و كشاورزي اتفاق مي افتد. جيوه به شدت سمي است اگر خورده شود منجر به ضايعات مغزي و كبدي مي شود، جيوه به راحتي از طريق بافت هاي پوستي، تنفسي و گوارشي جذب مي شود و تاثير بسيار بدي روي لثه و دندان مي گذارد. [5]  سايز نانو مواد باعث خواص فيزيكي و شيميايي ويژه و متفاوتي از مواد حجيم و يا ذرات بزرگ مي شود. مواد در مقياس نانو مفيدتر و با صرفه تر از مواد بزرگ و حجيم هستند. نانوذرات مساحت سطحي بالاتري نسبت به حجم دارند كه منجر به افزايش واكنش مي شوند. نانوذرات فلزي مثل طلا، مس، روي و نقره به علت سطح بزرگتر نسبت به حجم شان پتانسيل اثر ضد باكتري قوي دارند. از ميان همه اين ها ثابت شده كه نانوذره نقره موثرترين عامل ضدميكروبي بر عليه باكتري ها، ويروس ها و ساير ميكروارگانيزم هاي يوكاريوتي هستند. امروزه با فن آوري نانو توانسته اند نقره فلزي را به شكل ذراتي با سايز كمتر از 100 نانومتر به دست آورند كه حاوي حدود1000 تا 1500 اتم نقره است. كه آن ها را نانوذرات نقره مي نامند. نانوذرات نقره با قطر 5   نانومتر مي توانند تكثير ويروس ايدز و ويروس آنفلوآنزا را نيز مهار نمايند. روش هاي مختلفي براي سنتز نانوذرات   نقره وجود دارد ولي استفاده از گياهان به دليل هزينه كم، سازگاري با محيط و غيرسمي بودن بسيار مورد توجه قرار مي گيرد. [11]بنابراين در مطالعه حاضر يك روش ساده و دقيق براي اندازه گيري جيوه موجود در آب را با استفاده از سنتز سبز نانوذرات نقره تهيه شده با عصاره زغال اخته معرفي مي كنيم.     نيترات يك يون چند اتمي بي رنگ، بي بو و بدون طمع كه جز از راه آزمايش قابل تشخيص نيست. نيترات به صورت طبيعي در آب آشاميدني و زيرزميني وجود دارد. در صنعت كشاورزي از نيترات سديم و نيترات پتاسيم به عنوان كود شيميايي استفاده مي شود. مطالعات انجام شده در كلمبيا نشان داده كه رابطه معني داري بين شيوع سرطان معده و غلظت نيترات در آب آشاميدني وجود دارد. چهار منشا براي بالا بردن ميزان نيترات در آب ها مي توان پيشنهاد داد :   مواد چاه هاي فاضلاب خانگي و مواد زايد شهري كه به روش غير بهداشتي دفع مي شوند، كودهاي شيميايي و فضولات حيواني- انساني، انحلال نهشته هاي تبخيري يا خاك هاي غني از نيترات، تثبيت زيستي نيتروژن در خاك توسط باكتري ها و سپس انحلال آن در آب. سازمان جهاني بهداشت مقدار مجاز نيترات در آب را 50   ميلي گرم بر ليتر و براي اطفال 15 ميلي گرم بر ليتر اعلام كرده است. [18

  In this research, in-situ modification of the three-dimensional Zr-based metal-organic framework, NH2-UiO-66(Zr) [Zr6O4(OH)4(O2C–C6H4–CO2-NH2)6], (UiO = University of Oslo), with different temperatures of Zn and Ti was carried out via a cation exchange approach. The prepared samples including NH2-UiO-66(Zr/Ti 70 ?C), NH2-UiO-66(Zr/Ti 80 ?C), NH2-UiO-66(Zr/Ti 90 ?C), NH2-UiO-66(Zr/Ti 100 ?C), NH2-UiO-66(Zr/Ti 110 ?C), NH2-UiO-66(Zr/Zn 70 ?C), NH2-UiO-66(Zr/Zn 80 ?C), NH2-UiO-66(Zr/Zn 90 ?C), NH2-UiO-66(Zr/Zn 100 ?C), NH2-UiO-66(Zr/Zn 110 ?C) exhibited a red shift in the visible light region. Accroding to the reduction of bandgap in some samples particulary in Ti samples, we can conclude that, modified MOFs (metal-organic frameworks) can be exhibited potential photocatalytic application. The resulting characterized with powder X-ray diffraction (PXRD), field emission scanning electron microscopy (FE-SEM) and energy-dispersive X-ray spectroscopy or EDS elemental analysis and mapping, diffuse reflectance UV-Vis spectroscopy (DRS UV-Vis , Photoluminescence spectroscopy (PL) , Brunauer-Emmett-Teller (BET) porosimetry )and total reflection infrared (ATR-IR) spectroscopy, X-ray photoelectron spectroscopy (XPS).

:This thesis consists of two section Preparation and Charactrization of Fe3O4@  S@SiO2-SO3H as an Magnetic Heterogeneous Nonocatalyst and its Application for the Synthesis of 3,4-Dihydropyrimidinones Derivatives Fe3O4@  s@SiO2-SO3H as a magnetic heterogeneous nanocatalyst was synthesized during several steps. Fe3O4@  s@SiO2-SO3H wascharacterized using FT?IR spectroscopy, XRD, TEM, SEM, EDX, TGA, VSM and Mappin . Then, it was used as a new, efficient and stable nanocatalyst in synthes 3,4-dihydropyrimidinone derivatives via reaction of aromatic aldehydes with 1,3-dicarbonyl compounds and urea or thiourea .under solvent free conditions, at 80 °C with excellent yields Synthesis of 5-Substituted 1-H-Tetrazoles with Fe3O4@  s@SiO2-SO3H as an Magnetic Heterogeneous Nanocatalyst Fe3O4@  s@SiO2-SO3H was described as a effective and stable nanocatalyst for the synthesis of 5-substituted 1H-tetrazoles using aromatic aldehydes, sodium azide and malononitrile to help a [2+3] dipolar cycloaddition reaction-Knoevenagel condensation in solvent-free conditions at 80 °C. being eco-friendly, easy procurement method, use of cheap raw materials, high yields, short times, easy separation and recyclability of the catalyst are the benefits of this method   

A green and efficient arginine sulfonic acid Arg-SO3H for the synthesis of ?,?´-bis(substituted-benzylidene)cycloalkanone  simple and efficient method for the synthesis of ?,?´-bis(substituted-benzylidene)cycloalkanone derivatives from cyclohexanone or cyclopentanone by the condensation of various aromatic aldehydes, using cheap and readily available Arg-SO3H as a acidic ionic liquid catalyst. This simple procedure is efficient and can be applied to the synthesis of a wide variety of ?,?´-bis(substituted benzylidene)cycloalkanone in excellent yields.      Synthesis of   2-Substituted Benzimidazoles catalyzed by Arg-SO3H as a powerful bronsted acidic ionic liquid  A novel efficient method for the selective synthesis of 2-substituted benzimidazoles is described through condensation reaction of o-phenylenediamines with a wide rang of   aromatic aldehyde substrates using Bronsted acidic ionic liquid arginine sulfonic acid Arg-SO3H as a reusable catalyst under metal-free conditions at ambient temperature. Notably, is the efficient catalyst for good to excellent yields of the corresponding products (up to 97%). In addition, catalysts are recycled at least five times without significant loss in activity.  

Synthesis, Characterization and Application of Magnetic Boehmite Nanoparticles

Synthesis, Characterization and Application of GO-CPTMS-Melamine-CAN as a new Heterogeneous Nanocatalyst for the Preparation of 2-Substituted Benzoimidazoles and Benzothiazole  

  Abstract Chloroform is a colorless and odorless liquid and is non-flammable with special smell. This compound has applications is laboratory and industry. The purpose of this study was to determine chloroform in various water samples using two simple colorimetric methods based on the fuji­wara and resorcinol reaction. The variables of this study included time, sodium hydroxide concentration, volumes sodium hydroxide, resorcinol and pyridine. All of the variables were optimized of by experimental design. The samples use for determining of chloroform include drinking water and pool water. The linear concentration range and detection limit obtained by first method using pyridine were 0.0089-1.39 mg/L and 0.0087mg/L respectively, and the linear concentration range and detection limit obtained by second method using resorcinol were 0.007 mg/L and 0.011-1.195 mg/L, respectively. In both methods, relative standard deviation and relative error for determination of chloroform in real samples were less than 10%. These two methods can be used as simple and fast methods for determination of chloroform the method have low cost and can be used to check the quality control of the water in terms of the amount of chloroform in water survey. In the third work, a simple and cost-effective method for the determination of arsenic by spectrophotometry based on the variation of absorbance of silver nanoparticles in the presence of arsenic was proposed. In this work, firstly silver nanoparticles were synthesized by tobacco carbon dots. The linear range and detection limit of method for the determination of arsenic were 0.1-10 mg/L and 0.1 mg/L, respectively.   Relative standard deviation and relative error for determination of arsenic in real rice samples were less than 10%.  

In this research,post-synthesis modification of amino-functionalized Zr-based metal-organicframework NH2-Uio-66 (Zr) with different percentages of Zn and Tiwas performed via a cation exchange approach. The prepared samples including NH2-Uio-66(Zr-Ti 25%), NH2-Uio-66 (Zr-Ti 50%), NH2-Uio-66 (Zr-Ti75%), NH2-Uio-66 (Zr-Zn 25%), NH2-Uio-66 (Zr-Zn 50%), NH2-Uio-66(Zr-Zn 75%) and as well as in situ modified NH2-Uio-66 (Zr-Ti 50%)exhibited a red shift in the visible light region. Regarding the reduction ofbandgap, modified MOFs can be had potential photocatalytic application. The resultingsamples were characterized with powder X-ray diffraction (PXRD), field emissionscanning electron microscopy (FE-SEM) and EDS mapping, X-ray photoelectronspectroscopy (XPS), X-ray fluorescence (XRF), UV-Vis diffuse reflectancespectrum (UV-Vis DRS), Brunauer-Emmett-Teller (BET).  

of controlled release and targeted delivery by using external magnetic field. This studydescribes a rational design for the choose of the functional monomer and cross-linker inorder to develop a targeted delivery system for Rifampicin. Based on literature,methacrylic acid (MAA) as a functional monomer and ethylene glycol dimethacrylate(EGDMA) cross-linker agent with 4:20 molar ratio was investigated for imprinting ofRifampicin on the surface of magnetic core via core-shell technology. Afterwards, theperformance of magnetic-MIP and MIP nanoparticles was tested as anticancer carrier onMCF-7 cell lines, the results of various in-vitro experiments were studied. The percentageof cell cytotoxicity for cancer cells increased from 35% for pure drug to 81% for MMIPnanoparticle, However, no significant change was observed in the cell cytotoxicity onnormal cells.  

preparation of Fe3o4@Sio2~Pr-NH-L-Proline/Cu(OAc)2 as a highly efficient magnetic nanocatalyst and its application in the synthesis of B-Phosphonomalonates and 2-Imidazolines was carried out in this project .The 2-Imidazolines were prepared from nitriles and ethylenediamin .Both of reaction performed in reflux conditions. High yield of product and easy workup are some of advantages it this work.

  In the first work, carbon dots from beef were used for quantitative analysis of ketotifen fumarate. Synthesized carbon dots have a strong fluorescence emission in the range of 416 nm, which were quenched fluorescence in the presence of ketotifen fumarate. The results of the analysis showed that there is a linear relationship in the range of 7 × -5× (M) and the value of 0/3 (µM) was obtained for the detection limit. This method was used to measure ketotifen fumarate in human and urine samples. Relative Standard Deviation (RSD) and Relative Error (Re) for measuring ketotifen fumarate in real samples were acceptable values. In the second work, a simple and cost effective method for spectrofluorimetric determination of cysteine in the presence of silver nanoparticles was proposed by nitrogen doped carbon dots (prepared from isoniazid) based on the carbon dots fluorescence recovery. Variables affecting the reaction such as: PH, carbon volume, silver nanoparticle volume, phosphate buffer concentration and interaction time, were studied. The determination of the cysteine with a dynamic range of 3 × -6 ×   (M) and the detection limit 3 ? 9 ×   molar done. The method was used to determination cysteine in human plasma and urine samples, and relative standard deviations and relative error were reported.In the third work, nitrogen doped carbon dots (prepared from isoniazid) were used for quantitative analysis of melamine in the presence of gold nanoparticles. The absorption spectrum of gold nanoparticles overlapping with the carbon dots emission spectrum causes the fluorescence of the carbon dots to be quenched through the inner filter effect mechanism, then fluorescence of carbon dots recovery by melamine. The amount of carbon dots fluorescence recovery in a range of 1 ×   -1 ×

  In this work, a simple, sensitive, selective and green spectrophotometric method for determination of cefixime was proposed. The method is based on the aggregation and subsequent decrease in absorbance of Ag  . A green approach was employed to synthesis of CDs. Firstly, carbon dots (CDs) were prepared using apple by hydrothermal method and using reducing ability of CDs, Ag   were synthesized. CDs and Ag   were characterized by FT-IR, TEM, XRD and UV-VIS spectrophotometric methods. In order to use the synthesized Ag   for cefixime determination, pH and time were optimized. Maximum decrease in absorbance of Ag   in presence of cefixime was observed at pH=7 and 40 minute. In determination of cefixime, a calibration curve in the concentration range of 1.2-14.8 ppm of cefixime was obtained. Detection limit of the method was 0.6 ppm. The proposed method was successfully applied for determination of cefixime in pharmaceutical samples with RSD and recovery 4.52 and 101 %.

  In this study the nano-absorbent Ag-Y  zeolite was prepared by addition of  AgNO3  and  ion exchange method.  The prepared of nano-absorbent Ag-Y  zeolite   was calcined at 500 ?C , 120 and heating rate of 5 ?C/min. Characteristic  of  ynthesized nano-absorbent Ag-Y  zeolite were carried out by  (SEM),  (BET), (XRD)  and  (FT-IR).  Then, the prepared nano-absorbent Ag-Y  zeolite was used as an efficient absorbent for the removal of sulfur compounds especially Paratoluene thiol from crude oil.  Various variables effect on the absorption and performance of nano-absorbent Ag-Y  zeolite studies and  optimize  these variable  hy  in order to  find the maximum amount of sulfur compounds removal. The results from this optimizatio  including:  weight of  adsorbent dosage: 3 wt.% based on crude oil,  contact  time:  40  min, room temperature, weight percent of  Ag:  15 wt.% based on Y  zeolite weight.   At end of the optimization, the efficiency of removal of   Paratoluene thiol was   attained to 98.1% by using nano-adsorbent  Ag-Y.  Also the adsorption reactio  and  Langmuir and Freundlich isotherms wa  tudied.   Absorption data is very well fitted to Langmuir isotherm model, and reaction kinetics follows the pseudo second-order kinetics

  In this thesis, we have designed the ZnO @ SiO2-TTIP nanocatalyst and studied its activity in the synthesis of 2-substituted benzimidazole, benzothiazole and benzoxazole derivatives as well as the synthesis of dihydropyrimidone and yielded quite good results in comparison with past wor

  Metal-organic frameworks or coordination polymers or MOFs are the latest class of ordered porous solids. Since their discovery many potential applications have been proposed in strategic domains such as catalysis, separation, magnetism or others. One of their key advantages compared to their organic (carbons) or inorganic counterparts (zeolites, silica), is the possibility to easily tune their composition through a change of the metal and/or the organic linker. Compared to zeolites, in addition to a wider chemical versatility, MOF structures exhibit a larger panel of pore sizes and shapes (tunnels, cages, etc), with sometimes a flexible porosity which allows to reversibly adapt the pore size to the adsorbate. Functionalization of the organic linker represents another advantage of MOFs with the possibility of grafting during or after the synthesis various organic functionalities (polar, apolar), changing thus the physicochemical properties of the solid. One of the major potential applications for MOFs is in drug delivery, considering their host–guest properties and facile modification via chemical synthesis. In this work, We have made three types of metal-organic frameworks based copper cationic structures, whose methods of making them have been based on ultrasonic, mechanical, and ultrasonic magnetic methods (U-CuBTC, S-CuBTC and M-CuBTC). In the third method, we were able to construct a completely new metal organic structure called M-CuBTC. The purpose of this thesis is to examine the framework including copper nuclei, in absorbing and liberating acriflavine. Acriflavine is one of the most interesting biological compounds used to treat bacterial, fungal or parasitic infections and infections in aquarium fish. In addition to bacteriostatic and antibacterial properties, it has antiviral ability against some viruses, binds DNA and RNA, and changes their physical form. Also, acriflavine Hydrochloride is known and used as an organic color. Magnetic nanoparticles are one of the most important and widely used types of nanomaterials, with their unique properties that make them more specific to other nanostructures. These particles can be used in different branches. Their role is particularly significant in the field of drug delivery and also as a catalyst for various reactions, since these materials are easily separated from the reaction solution by a magnet. It also facilitates targeting, which is essential for drug delivery.

  Although many medicines and therapies are provided for neurological problems, the serious side-effects of these drugs on other parts of the body are due to its complications, so making a medicine   that does not damage the health of other tissues and organs reach their goal by using nanotechnology to enter this field. In the meantime, the pharmaceutical industry has not gone away, and inventions of technology in pharmaceutical products have led to the introduction of new and novel products into the market. Today, there are many nanoparticle-based systems for transmitting and targeting drugs that are either well-developed or developing. The purpose of using nanoparticles (carriers of nanoparticles) is to reduce the degradation of drugs, prevent their side effects, increase access to drugs, and accumulate at the site of the lesion. Controlled medicine release is a process in which a calculated carrier is combined with a medicine to act as an active agent in the body in a predetermined manner and desirable to release it, thus optimizing its medicine release is of particular importance. In this study, the subject of photoelectron transfer between fullerene C60 and Phenothiazine medicines in psychopathic therapy is proposed using Marcos theory and quantum mechanical calculations. The C60 molecules are physically very powerful. Due to the lack of resistance of the body against carbon and the smallness of fullerenes, which allows them to pass through all parts of the body and excrete them, they have found a lot of medical expenses. Nanotechnology is not only an excellent tool for producing materials that are similar to biological systems, but also can deliver and deliver efficient systems.. You have it. In this study, using the methods of density functional theory (DFT) and time dependent density functional theory (TDDFT), the physical and chemical properties of the nano-compelex consisting of Thioridazine with fullerene C60 were studied. To carry out a comprehensive study, several descriptors were used in the base state, in which some electrochemical properties are based on the HOMO and LUMO orbital energy, hardness, softness, chemical potential, and mulliken load. After formation of complex (Thioridazine+C60) the dipole moment increased by 2.61, which indicates its solubility in polar solvents. Using the Marcos theory of electron transfer velocity, the free energy of activation Electron transfer and free energy The electron transfer for all PETs was calculated between these two species.

  An efficient synthesis route to?-phosphonomalonates from reaction of divergent aldehydes with malononitril and thriethylphosphite, under solvent-free conditions intheone-pot by GO-SO3H   as an acidic heterogeneous nanocatalyst, a relative inexpansive, ecofriendly, easy available, non-explosion, thermally robust, recyclable and easy to handle catalyst at 60°C with excellent yields is described. Unenhanced reaction times, simple reaction protocol and work-up, have been improved synthesis of these materials in the presence of this heterogeneous nanocatalyst.GO-SO3H used to be an acidic heterogeneousnanocatalyst for the synthesis of TetrazoleDerivatives.Thesederivatives were formed from divergent aldehydes, sodium azid and malononitrilinthe one-pot which was efficiently simple and convenient.This method afforded shortreaction time, easy workup, moderate to excellent isolated yields which make this protocol practicaland economically attractive

  Abstract  In this thesis, first the MgO@SiO2@Fe3O4 nano-catalyst was synthesized using Co-precipitation method. Then, this nano-catalyst was used in the transesterification reaction to production of biodiesel. Different variables were effective on both the transesterification reaction and the performance of MgO@SiO2@Fe3O4 nano-catalyst. The main purpose of this research was to identify and optimize these variables in order to achieve the maximum amount of the biodiesel production. These variables were including of calcinations temperature, calcinations time, the weight percent of the active phase to the base. The reaction temperature of 70?C, reaction time of 3hours, molar ratio of alcohol to oil of 12:1, and the weight percent of catalyst to oil of 6%(w/w) were considered as the operating conditions for transesterification reaction. Finally, the calcinations temperature of 650?C, calcinations time of 3 hours and the weight percent of the active phase to the base of 55%(w/w) were reported as optimization conditions. The efficiency of the biodiesel production of 99% was obtained at optimization conditions using the transesterification reaction and in the presence of the MgO@SiO2@Fe3O4 nano-catalyst.The characterization of the MgO@SiO2@Fe3O4 nano-catalyst using different techniques such as XRD, SEM and FT-IR was determined. The XRD results proved existence of MgO cubic crystalline phase into the MgO@SiO2@Fe3O4 catalyst.   Keywords: Co-precipitation method, calcinations temperature, transesterification reaction, nano-catalyst, magnetic nanoparticles, biodiesel

  Nizatidine is a histamine H2-receptor antagonist. Nizatidine by decreasing the amount of stomach acid production, commonly used in treatment of gastro-esophageal reflux disease(GERD) and peptic ulcer disease (PUD).In this study the nizatidine tautomer’s stability, structural data, HOMO and LUMO orbitals (energies and shapes), ?EHOMO-LUMO gaps, UV data and graphs, dipole moments, Mulliken charges, thermodynamic and kinetic stabilities in aqueous media as a biological solvent and some of the different media (vacuum, Et-OH, DMSO) were investigated for the tautomers of nizatidine by density functional theory (DFT)-B3LYP/631-G** method. The results presented that the probability of the compatibility and adaptability of which tautomer (T1-T3) are better than the other tautomer for adapted interaction with the H2-receptor pattern and structural map.

In this thesis we report the fabrication of copper nanoparticles on the multi-walled carbon nano-tubes (MWCNTs) composite film modified glassy carbon electrode ((Cu  /MWCNTs/GCE)) and it was characterized by cyclic voltammetry, a scanning electron microscope and The energy dispersive X-ray (EDX) analysis. Then it was application in the electrochemical Determination of 4-nitrophenol (4-NP) in real samples. Cyclic voltammograms displayed that (Cu  /MWCNTs/GCE) showed high electrochemical catalytic activity contrasted with the MWCNT/ GCE and Cu   / GCE modified. The (Cu  /MWCNTs/GCE) was observed to be appropriate for the selective determination of 4-NP by square wave voltammetry (SWV). Under the optimized condition the fabricated sensor demonstrated two linear concentration ranges from 0.2 to 12.3 and 12.3 to 298.0 ?M with detection limits of 0.06 ?M (S/N = 3). It was proved that this electrode can be utilized for the measurement of (4-NP) in real samples.

  This work is introduces a new electrochemical sensor based on cadmium carbide nanoparticles CdxCy and multi-wall carbon nanotubes MWCNTs modified carbon paste electrode (CPE) for low   level detection of warfarin .The modified electrode was characterized by different methods such as electrochemical impedance spectroscopy (EIS), and cyclic voltammetry (CV). The oxidation peak current of warfarin under the optimum experimental conditions was applied for its monitoring for the first time. The calibration curves were linear for warfarin concentrations from 0.009 to 1.4 µM and 1.4 to 500 ?M with a limit of detection of 1.8nM and limit of quantification of 6.6 nM using   differential pulse voltammetric method (DPV). The modified electrode showed excellent stability and was used for determination of warfarin in tablet and human serum with acceptable results.

  In this research the three-dimensional Zr-based metal-organic framework UiO-66-NH2 was functionalized with melamine (UiO-66-NH2-Mlm), then copper (II) acetate monohydrate successfully anchored by the surface of the amino-functionalized Zr-MOF. Copper ions were reduced with sodium borohydride to obtain nanoparticles of copper oxide, then catalyst exhibited excellent activity for Ullman reaction. Furthermore, the catalyst showed a good performance. The sample were characterized with powder x-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FTIR), Thermogravimetric analysis (TGA), Scanning electron microscopy (SEM), Scanning transmission electron microscopy (STEM), X-ray Photoelectron Spectroscopy (XPS), and Atomic Absorption spectroscopy (AA).

  Application of FM  -TA-SO3H as an Efficient Heterogeneous Acidic Nanocatalyst for the Synthesis of Tetrazole and Xanthene Derivatives

Metal organic frameworks (MOFs) also known as porous coordination polymers (PCPs) have attracted the attention of chemists, physicists, and materials scientists because of interest in the creation of nanometer-sized spaces and the novel phenomena in them. There is also interest in their application in adsorption. MOFs are typically constructed by connecting secondary building units (SBUs) consist of metal ions with organic connectors to produce various networks. Due to PXRD atterns Adsorb and desorb of Crystal violet into UiO-66 doesn’t any effect on structure. UiO-66 was stable during the absorption and desorption process and can be considered as a reversible adsorbents. The encapsulating of Crystal violet molecules within UiO-66(Zr-MOF) have been carried out successfully with high speed rather those of other MOFs have reported before. It can be seen this MOF used for this work have the comparable capacity between other MOFs, that have been proved by TGA, UV-vis analysis and weighing. The maximum adsorption capacity was 37.77 mg g-1 per 0.1 g of UiO-66. Considering releasing process for UiO-66, it has been ascertained that UiO-66 has good releasing rate, it may be depend on the size of the guest molecule and absorbent pore size.

ZrOCl2/H2O2   System as an Oxidizing Agent in Synthesis of Organic Compounds such as Sulfonyl Chlorides, Sulfonamides and Sulfoxides

  Metal–organic frameworks (MOFs) are an intriguing class of hybrid materials, that are built by assembling metal centres with organic linkers. the bonding between the inorganic and organic parts may be covalent, coordinative or based on van-der-Waals interactions, the so-called Metal-Organic-Frameworks (MOFs) or coordination polymers. MOFs are synthesized from solution under solvothermal conditio   typical solvents are water, ethanol, methanol, dimethylformamide (DMF) or acetonitrile. In this research adsorption and desorption of the drug phenazopyridine hydrochloride (PAP), its structural affects and kinetic surveys using three Zr-MOFs have studied. Absorption and desorption of these guests in highly stable three-dimensionlal (3D) porous coordination polymers UiO-66, UiO-66-NH2 and UiO-66-vac was investigated. The samples were characterized with powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), Nitrogen sorption (BET) analysis, thermogravimetric analysis (TGA), and UV–vis spectroscopy. The delivery of drugs from MOFs performed in ethanol at room temperature under continuous stirring was determined by PXRD, UV-vis spectroscopy and FT-IR spectrums. The delivery of drugs in ethanol increases with time, it indicates that the drugs release are governed by the host-guest interaction. Similar behaviors were also observed in the desorption of all guests from all three MOFs. study of experimental results on phenazopyridine hydrochloride adsorption affinity in comparison with quantum results , to complete the relationship between theory and practical experience in the analysis of the results

AbstractNowadays,with progress in industry the dangerous of heavy metals were increased.Cdmium is one of the most abundant toxic elements that contaminates soil, water, and food chain and represents a serious threat for human health and agricultural crops.Industrial waste water, as the most important environmental pollutants that contain significant amounts of heavy metals are high salt density. The technology of biological removal as efficient and effective method comparing to common methods to removing of heavy metals from industrial waste was improved.The biological removing method is cheap and safe for environment. Biological removal of the high toxicity of cadmium with high mobility and widespread ecological effects to be considered as an important field in the biotechnology. Detection of persist bacteria to toxic metals and using of them for removing heavy metal from arouses environments and wastewaters is very important. In this study the ability of Halomonas elongata IBRC-M10433 bacterium removed from Uroumie Salty Lake to removing of Cadmium was test.The purpose from this study was to optimization of Biological removal of Cdmium by Halomonas elongata IBRC - M10433   under environmental factors. Design of Experiments Taguchi method to determine the optimum conditions relative to environmental factors such as cadmium concentration, salt and concentration of glucose as the carbon source in biological removal of Cdmium   y Halomonas elongata IBRC- M10433. This study shown that the Halomonas elongata IBRC- M10433   as potential adsorbent for heavy metal ions from aqueous solution and the   highest removal of Cdmium was observed as 50 mg/L ion concentrations , 10 g/Lto carbon and 200 g/L of salt at 370C and pH7.It was also observed That concentrations of carbon is the most effective factor in the bioremediation. In addition to the experimental design Taguchi method to determine the optimum conditions, environmental factors such as concentration NH4Cl as a nitrogen source, K2HPo4 as a source of phosphorus and cadmium concentrations in biological removal of cadmium by Halomonas elongata IBRC- M10433 Optimum conditions at   P 0/3 g/L, Cdmium concentration 100 mg/L and nitrogen 2 g/L at 37 ° C and pH 7. also observed That concentrations of phosphorus is the most effective factor in the bioremediation. Results from this study shown that Halomonas elongata IBRC-M10433 persist to Cadmium metal,And has the ability to removal of Cdmium containing industry waste water and aqueous solution .The bacteria can be used for further studies in the field of removal of heavy metals.Application of biotechnology and life is very valuable for the treatment of heavy metals.With the help of modern technology can be used to identify genetic changes in microorganisms and make payment And an important step in improving perceptions of environmental pollution.Keyword:heavymetal,biologicalremoval,Taguchimethod, Cadmium, Halomonas elongata IBRC - M10433.     

  The present study investigated the binding interaction between gold nanoparticle and biomolecular using emission,absorption, circular dichroism,viscosity and cytotoxity The Azomethine H-gold nano particle(AzH-Au  ), exhibits a high binding affinity for HSA and BSA. Different instrumental methods were used to investigate the interaction mechanism. According to competitive binding experiments sites were obtained as analysis demonstrated that the binding of AzH-Au   to HSA mainly located within site site II (subdomain IB) and analysis demonstrated that the binding of AzH-Au   to BSA mainly located within site I (subdomain IA) . The results of the Stern–Volmer quenching constant   is inversely correlated with temperature, which indicates that, the probable quenching mechanism of the AzH-Au   - HSA and AzH-Au   - BSA binding reaction is initiated by complex formation.So, the main interaction between AzH-Au   and BSA and HSA   was belived to be electrostatic. As the binding distance is less than 8 nm, the energy transfer from HSA and BSA to AzH-Au   occurred with high possibility.The results of UV–vis spectra and CD data indicate that the conformation of HSA and BSA molecules is changed signi?cantly in the presence of AzH-Au  .The experimental results were in agreement with the results obtained via a molecular docking study. Different instrumental methods were used to investigate the interaction mechanism between the AzH-Au   and DNA. The results support the notion that the AzH-Au   can bind to DNA via intercalative. The fluorescence studies showed an appreciable increase in the AzH-Au   s emission upon addition of DNA. The negative ?H and   ?S values indicated that that vander waals or hydrogen bonds play main roles in the binding of AzH-Au   to DNA. Competitive fluorescence study by Methylen Blue (MB) demonstrates So, formation of AzH-Au   – DNA complex has effect on MB binding to DNA. CD results showed deep conformational changes in theDNA double helix upon binding with the AzH-Au  . Changes were observed in viscosity of the DNA upon addition of AzH-Au  . This result supports the intercalative binding mode of AzH-Au   with DNA Molcular docking indicates of an intercalative of binding. This is indicated that interaction AzH-Au  to DNA is intercalative.

  An efficient synthesis route to 1,4-dihydropyrimidine derivatives from reaction of divergent aldehydes with diketone, diester   and urea, thiourea under solvent-free conditions in the one-pot by GO-OSO3H   as an acidic heterogeneous nanocatalyst, a relative in expansive, eco-friendly, easy available, non-explosion, thermally robust, recyclable and easy to handle catalyst at 90 °C with excellent yields is described.  GO-OSO3H used to be an acidic heterogeneous nanocatalyst for the synthesis of 2-aryl-1-arylmethyl-1H-benzimidazoles. These derivatives were formed from o-phenylenediamine and aromatic aldehydes in the one-pot which was efficiently simple and convenient.

In this thesis palladium porphyrin nanocatalyst was synthesized on the graphene oxide 3-(cholopropyl)- trimethoxysilane. This nanocatalyst has features like: producing reaction at temperatures less than 100°C, asymmetric production, easy operation, conversion and high interest rates, catalyst comfortable recovery, high speed reaction and high selectivity. This nanocatalyst specially was used in Suzuki-Miyaura, Mizoroki-Heck coupling reactions and C-O cross-couplings of phenols with aryl iodides. In this thesis we used porphyrin palladium complex immobilized on graphene oxide in the cross-coupling reactions such as:Suzuki-Miyaura, Mizoroki-Heck and C-O cross-couplings.       In this thesis palladium porphyrin nanocatalyst was synthesized on the graphene oxide 3-(cholopropyl)- trimethoxysilane. This nanocatalyst has features like: producing reaction at temperatures less than 100°C, asymmetric production, easy operation, conversion and high interest rates, catalyst comfortable recovery, high speed reaction and high selectivity. This nanocatalyst specially was used in Suzuki-Miyaura, Mizoroki-Heck coupling reactions and C-O cross-couplings of phenols with aryl iodides. In this thesis we used porphyrin palladium complex immobilized on graphene oxide in the cross-coupling reactions such as:Suzuki-Miyaura, Mizoroki-Heck and C-O cross-couplings.     In this thesis palladium porphyrin nanocatalyst was synthesized on the graphene oxide 3-(cholopropyl)- trimethoxysilane. This nanocatalyst has features like: producing reaction at temperatures less than 100°C, asymmetric production, easy operation, conversion and high interest rates, catalyst comfortable recovery, high speed reaction and high selectivity. This nanocatalyst specially was used in Suzuki-Miyaura, Mizoroki-Heck coupling reactions and C-O cross-couplings of phenols with aryl iodides. In this thesis we used porphyrin palladium complex immobilized on graphene oxide in the cross-coupling reactions such as:Suzuki-Miyaura, Mizoroki-Heck and C-O cross-couplings.     

  Application of Ciprofloxacin Immobilized Fe3O4@SiO2 as a Magnetic Nanocatalyst for the Efficient Synthesis of Dihydropyrimidinone and 2,4,5-trisubstituted imidazole Compounds

In this research project, First, the Li/CaO nano-catalyst was synthesized using microemulsion method. In the next stage, the Li/CaO nano-catalyst was used in the transesterification reaction to production of biodiesel. Different variables influenced both the transesterification reaction and the performance of Li/CaO nano-catalyst. The results of the optimization of variables include the following:  Calcination temperature of catalyst: 600?C - calcination time: 3 hours - the weight percent of the active phase to the base: 40% - reaction temperature: 65 ?C - reaction time: 4 hours - molar ratio of alcohol to oil: 12: 1 - the weight percent of catalyst to oil: 4%.  At the end of the optimization, the efficiency of the biodiesel production, using the transesterification reaction and in the presence of the Li/CaO nano-catalyst, reached   99 %. The next objective of the project was to characterization the Li/CaO nano-catalyst using different techniques such as XRD, SEM and BET. The XRD method showed that the Li/CaO catalyst included three compounds of CaO and Ca(OH)2, each having cubic crystalline phase. Likewise, the size of the synthesized nanoparticles was in the range of 20-50 nm. The BET method made possible the interpretation of the Ce-Ba/CaO nano-catalyst performance in the transesterification reaction based on the surface area, pore volume, and the diameter of the nano-catalyst.Another objective of the project was to investigate the thermodynamics and kinetics of the transesterification reaction in the presence of the Li/CaO nanocatalyst. First, the changes in the thermodynamics functions were measured under standard conditions, namely ?rH? and ?rS? based on the governing chemical-physical relationshi   the obtained values ??are ?rH? = 329/32 kJ/mol and ?rS?= 1/038 kJ/mol.k. In the next step, the transesterification reaction kinetics was studied. The aim was to determine the rate equation of the transesterification reaction and measure the kinetic variables such as the activation energy and the Arrhenius pre-exponential factor. The results indicated that the rule of the transesterification reaction rate was r = k [TG] [MeOH], which is a pseudo-second order equation. The obtained values for the activation energy and the Arrhenius pre-exponential factor ??were Ea = 123/42 kJ/mol and A = 4/ 97 × 1014 mol/lit.s.