Sharif Digital Repository

In this study, pitting corrosion of 304, 316 and 316L stainless steels in 3.5% NaCl solution at different temperatures (25, 40, and 70°C), were studied by electrochemical methods such as Cyclic Potentiodynamic Polarization, Electrochemical Impedance Spectroscopy and Immersion tests. Also, the effects of different concentrations of polyethyleneimine with two molecular weights (2000 and 60000 g/mol) on pitting corrosion of these steels were investigated. Finally, the adsorption behavior of inhibitors on surface of alloys was investigated by Atomic Force Microscopy (AFM) and Attenuated Total Reflectance Fourier transform spectroscopy (ATR-FTIR). It was found that both inhibitors prevent... 

In this study thermodynamics and kinetics effects of two ionic liquids (ILs) on the formation and dissociation of methane and carbon dioxide hydrates were investigated. The ILs used in this study are 1-butyle-3-metylimidazolium tetrafluoroborate, [Bmim][BF4], and 1-butyle-3-metylimidazolium methyl sulfate, [Bmim][MS]. At the first step of experimental section, the tetrahydrofuran (THF) was used in atmospheric pressure. The structure of THF hydrate is similar to natural gas hydrate; therefore it is used as a model for studying the properties and investigation of inhibitors effects on gas hydrates. In order to consider the effects of foregoing ILs on the formation and dissociation of gas... 

Electrocatalytic oxidation of L-ascorbic acid (L-AA) on silver electrode in alkaline solutions was studied employing cyclic voltammetry, chronoamperometry and impedance spectroscopy techniques. In comparison to Pt, the onset potential for L-AA electro-oxidation process on Ag, in a solution containg 0.02 M L-AA and 0.5 M NaOH, was 0.1 V more negative. Also, L-AA oxidation current increased more than 900% at -0.26 V/SCE. According to voltammety and impedance spectropy findings, although hydroxide anion presence was vital for L-AA oxidation to occur, at potentials more positive than -0.2 V/SCE, hydroxide ion tends to inhibit the oxidation process. Studies on the L-AA oxidation process on Ag in... 

According to the importance of conversion and transmission of energy, and introduction of hydrate formation process as an alternative method, in this study, the nano-graphene oxide is used to increase the rate if methane gas hydrates formation. The experiments were performed at different concentrations of 30 to 70 ppm and the results were compared with pure water. The effect of temperature and pressure on hydrate formation at temperatures of 1 and 2˚C and pressures of 48 and 53 bar were studied. And it was found that nano-graphene oxide can be used to accelerate the methane hydrates formation. The effect of ultrasonic on methane hydrate formation has been studied that it was found that the... 

Schiff bases are used as prevalent ligands in coordination chemistry and are prepared easily. Their application as mild inhibitory agents for prevention of various steel’s corrosion in acidic solution has been proved. When their structure is altered, multi-purpose application for them is found. This property has led to a motive for research and study. In this study, electronic properties of a group of Schiff bases are investigated. The goal of this study is using quantum mechanics (QM) as a tool for specifying electronic properties of some of these bases. With respect to QM calculation which is done by density functional theory (DFT), their properties as inhibitory agents are studied. First,... 

At the molecular level, proteins control almost all the biochemical reactions in the cells. In order for proteins to function, they must be able to fold into their unique 3D structure. Deformation of protein structure due to some environmental phenomena such as pH, high temperature, and stress may cause unfolding of proteins and finally result in formation of protein fibrils called "amyloid". Amyloid has been found in a number of human diseases such as Alzheimer, type II diabetes, and Parkinson. Recently pyridazine has been under spotlight due to its unique chemical properties such as high dipole moment and higher solubility in biological solvents. In this study, we aim at using a... 

Scale deposition is one of the reasons of formation damage during water injection process. This phenomenon often ocuures when two incompatible waters that interact chemically and precipitate minerals, mix within the reservoir. A typical example is sea water, with high concentration of sulfate ion and formation water, with high concentrations of calcium and/or barium ions. Mixing of these waters, therefore, can cause precipitation of calcium sulfate and/or barium sulfate. This study was conducted to investigate the permeability reduction caused by deposition of calcium and barium sulfates in carbonate cores from mixing of injected sea water and formation water in two flow rates and two... 

One of the chief kinds of receptors in cancer angiogenesis is the tyrosine kinase VEGFR-2. This target receptor is presented in both forms; active and inactive. adenosine triphosphate (ATP) residue is the location of deformational change from inactive to active form. Small molecule inhibitors have been designed for various forms of this receptor. In current study, the interaction of small molecular inhibitors including; Regorafenib, Cabozantinib and Thiosanib with dual VEGFR-2 receptor forms was investigated by molecular dynamics with Gromacs software. Cabozantinib and Regorafenib inhibitors had a lower binding energy in interaction with the inactive state however, Thiosanib inhibitors in... 

SHP2 has been reported as a critical non-receptor phosphatase enzyme that plays crucial roles in numerous disorders like cancer. The previous studies on this enzyme showed that inhibiting the action of the enzyme comes as a way of controlling enzyme activity. SHP099 was discovered as an Allosteric inhibitor of the enzyme with the most inhibitory effect among all of the studied compounds. In this study we aimed to design novel dipeptide-and sugar-based inhibitors for the allosteric binding site of this enzyme with in-silico studies including docking, molecular dynamic simulation, and free binding energy analysis. Our novel designed drugs possess enough binding properties, low toxicity, and... 

In this thesis a smart anticorrosive pH-responsive coat was developed with layer by layer (LbL) technique in the assembly of SiO2/CTAB/PSS/HMTA/PSS/PEI/PSS. SiO2 nanoparticles were prepared from Matland Company (Iran) with average size of 24 nm. At first, the corrosion inhibition of HMTA for API 5L Grade B steel in 3.5 wt.% NaCl solution was investigated. Tafel polarization technique showed the optimum concentration of HMTA was 0.08 M with 92% corrosion inhibition efficiency as the morphology of coverage and adsorption on the steel surface was confirmed by SEM and EDS. AFM results showed the roughness of the surface decreased from 241 nm to 56 nm that is attributed to HMTA adsorption on the... 

This project aims to design a drug to fight leukemia and some autoimmune diseases having few side effects. These drugs are composed of natural sugar and amino acid structures. Among the various treatments available, drug structures as inhibitors of enzymes involved in cancer-related cellular processes is an important treatment. Methotrexate is one of the most widely used anticancer drugs in the last half-century and treats leukemia and many autoimmune diseases such as psoriasis. It is a derivative of folic acid (vitamin B9) and one of the drugs with specific properties. It is an anti-folate whose anti-metabolic effects can help kill cancer cells. One of the problems with using this drug to... 

In this research, a coating was created on the steel surface using the network structure of zeolite imidazolate-8 (ZIF-8) and its effect on the corrosion behavior of steel was investigated. Then, the effect of two coupling agents, mercaptopropyltriethoxysilane (MPTES) and aminopropyltriethoxysilane (APTES) on the coating and its anti-corrosion properties was investigated. Then, in order to make a hydrophobic coating, the substrate was first coated with ZIF-8 and then a combination of silica nanoparticles plus hexamethyldisilazane (HMDS) and polymethylhydrogensiloxane (PMHS) was added to the initial solution and then coating was done. As a result of this process, the contact angle of water... 

This project aims to design a novel structure that can inhibit the activitvation of the c-Met enzyme using amino acids and sugars building blocks. The c-Met enzyme is a receptor tyrosine kinase that plays a significant role in several biological activities such as cell proliferation, survival, and invasion. Abnormal activity of the enzyme is linked to the progression of various types of cancer, including breast, lung, liver, and stomach cancer. The proposed sugar amino acid conjugate structures is expected to increase stability amino acids and dipeptides in the physiological environment, improve membrane permeability via active transport mechanism, and reduce toxicity and side effects by... 

Vimseltinib, a small molecule inhibitor, represents a promising avenue for combating cancers linked to macrophage-associated processes through its targeted action on the CSF1R tyrosine kinase receptor. CSF1R, a pivotal member of the tyrosine kinase receptor family, plays a crucial role in macrophage differentiation and function. This protein's significance is underscored in conditions such as tenosynovial giant cell tumors (TGCTs) and the presence of tumor-associated macrophages, wherein overproduction of CSF1 by neoplastic cells recruits CSF1R-dependent immune cells, fostering tumor expansion. The intricate interplay extends to tumor-associated macrophages, particularly the M2 subtype,...