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    Preparation and Characterization of Anticorrosive Epoxy Coating based on Inhibitor Loaded Metal-Organic Framework Nanostructures

    , M.Sc. Thesis Sharif University of Technology Amouzegar, Mahsa (Author) ; Shojaei, Akbar (Supervisor) ; Molavi, Hossein (Co-Supervisor)
    Abstract
    In this study, metal-organic frameworks (MOFs) UiO-66 and NH2-UiO-66 were prepared and loaded with 2-mercaptobenzothiazole as corrosion inhibitor .Epoxy coatings containing inhibitor loaded nanoparticles were applied on mild steel to corrosion protection in 3.5 wt.% NaCl solution. Fourier transform infrared spectroscopy (FTIR) was used to confirm Inhibitor loading. In order to estimate the loading amount of corrosion inhibitor, thermogravimetric analysis was investigated. FE-SEM images demonstrated nanoparticle dispersibility in epoxy matrix.The results of electrochemical impedance spectroscopy (EIS) alalysis showed improvement of the corrosion resistance of the coatings containing... 

    Investigation of Molecular Interactions of VEGFR and its Inhibitors by Molecular Dynamics Simulation

    , M.Sc. Thesis Sharif University of Technology Didandeh, Mohsen (Author) ; Bastani, Daruoosh (Supervisor) ; Mashayekhan, Shohreh (Co-Supervisor) ; Karami, Layla (Co-Supervisor)
    Abstract
    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... 

    Smart Coating Incorporated with Inhibitor-Enclosed Nanocontainers for Corrosion Protection of Steel

    , Ph.D. Dissertation Sharif University of Technology Ebrahim Fathabadi, Hadi (Author) ; Ghorbani, Mohammad (Supervisor)
    Abstract
    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... 

    Fabrication and Evaluation of Anti-Corrosion Properties of Epoxy/Modified Graphitic Carbon Nitride (g-3N4) Nanocomposite on Mild Steel

    , M.Sc. Thesis Sharif University of Technology Hassanzadeh, Abolfazl (Author) ; Ramazani Saadatabadi, Ahmad (Supervisor)
    Abstract
    In order to protect the corrosion of steel, a self-healing epoxy nanocomposite containing modified graphite carbon nitride (g-C3N4) and ZIF-67 was made along with benzotriazole (BTA) and cerium inhibitors. To increase the efficiency and also to increase the duration of use of inhibitors, it is better to load these inhibitors on containers such as MOFs. One of the useful MOFs for this purpose is ZIF-67, which has a high specific surface area that allows the transport of inhibitors with high capacity. But these containers fail after some time, so to improve the physical properties of the coating systems, g-C3N4 was also used as a mineral material, which of course was also used as a filler.... 

    Investigating the Effect of the Proposed CSF-1R Protein Inhibitor,with a Structure Containing Natural Biomolecules and based on the Approved Drug Vimseltinib

    , M.Sc. Thesis Sharif University of Technology Ebtehaj, Pouria (Author) ; Fattahi, Alireza (Supervisor)
    Abstract
    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,... 

    The effect of amino [60] fullerene derivatives on pour point and rheological properties of waxy crude oil

    , Article Journal of Molecular Liquids ; Volume 211 , November , 2015 , Pages 308-314 ; 01677322 (ISSN) Jafari Behbahani, T ; Miran Beigi, A. A ; Taheri, Z ; Ghanbari, B ; Sharif University of Technology
    Elsevier  2015
    Abstract
    Abstract In this work, two [60] fullerene derivatives were employed as flow improvers for waxy crude oil to reduce problems caused by the crystallization of paraffin during the production and/or transportation of the crude oil. These amine-based derivatives of [60] fullerene have been applied as wax inhibitor for improvement of rheological performance as well as pour point depressant in a waxy crude oil. Moreover, the influence of these [60] fullerene derivatives on the viscosity and pour point was also investigated in an Iranian waxy crude oil sample. The [60] fullerene derivatives were simply prepared by stirring a solution of [60] fullerene and two lipophilic amines. The results similarly... 

    Synthesis parameters effect on the final morphology of the layered double hydroxide (LDH)

    , Article Protection of Metals and Physical Chemistry of Surfaces ; Volume 53, Issue 3 , 2017 , Pages 460-465 ; 20702051 (ISSN) Imanieh, I ; Afshar, A ; Sharif University of Technology
    Maik Nauka Publishing / Springer SBM  2017
    Abstract
    Smart coatings which prevent corrosion by several mechanisms recently have been carefully planned. One of these mechanisms is the use of ion exchangers like LDH in the coating network. Since the morphology is the most important properties for the applications that the surface plays an important role, LDH morphology was evaluated in this study. For this purpose, the LDH contain a kind of green inhibitor was synthesized and after evaluating its performance it was examined morphologically by changing significant parameters like MII/MIII, pH, aging time and temperature. It is found that, high ratio of the MII/MIII cause thinner layer of LDH. The pH also has special effect on the surface... 

    Electrochemical determination of atorvastatin on nano-scaled polypyrrole film

    , Article Bioelectrochemistry ; Vol. 98 , 2014 , pp. 1-10 ; ISSN: 15675394 Kamalzadeh, Z ; Shahrokhian, S ; Sharif University of Technology
    Abstract
    Pyrrole was electro-polymerized on the surface of the glassy carbon electrode (GCE) coated with a thin film of carbon nanomaterials, including carbon nanotubes (CNTs), carbon nanoparticles (CNPs), nanodiamond-graphite (NDG) or graphite nanopowder (GNP). Morphology, thickness, stability and loading of the polypyrrole (PPY) film were significantly affected by the structure and morphology of the sub-layer of carbon nanomaterials. Electrochemical oxidation of atorvastatin (ATOR) was investigated. Under the optimized conditions, a significant increase in the peak current (compared to other modified electrodes and bare GCE) and a negative shift in the peak potential (compared to bare GCE) were... 

    Effects of short term and long term Extremely Low Frequency Magnetic Field on depressive disorder in mice: Involvement of nitric oxide pathway

    , Article Life Sciences ; Volume 146 , 2016 , Pages 52-57 ; 00243205 (ISSN) Madjid Ansari, A ; Farzam Pour, S ; Sadr, A ; Shekarchi, B ; Majid Zadeh, A. K ; Sharif University of Technology
    Elsevier Inc 
    Abstract
    Aims Previous reports on the possible effects of Extremely Low Frequency Magnetic Fields (ELF MF) on mood have been paradoxical in different settings while no study has yet been conducted on animal behavior. In addition, it was shown that ELF MF exposure makes an increase in brain nitric oxide level. Therefore, in the current study, we aimed to assess the possible effect(s) of ELF MF exposure on mice Forced Swimming Test (FST) and evaluate the probable role of the increased level of nitric oxide in the observed behavior. Main methods Male adult mice NMRI were recruited to investigate the short term and long term ELF MF exposure (0.5 mT and 50 Hz, single 2 h and 2 weeks 2 h a day). Locomotor... 

    Inhibiting asphaltene precipitation from Iranian crude oil using various dispersants: Experimental investigation through viscometry and thermodynamic modelling

    , Article Fluid Phase Equilibria ; Volume 442 , 2017 , Pages 104-118 ; 03783812 (ISSN) Saeedi Dehaghani, A. H ; Badizad, M. H ; Sharif University of Technology
    Elsevier B.V  2017
    Abstract
    Asphaltene precipitation is a major assurance problem posing significant technical and economic loss on petroleum industry. To tackle this issue, various treatments have been proposed and applied by industry. Amongst, inhibiting or retarding the asphaltene precipitation has been understood as the most efficient approach. In this regard, blending crude oil with chemical additives could appreciably heighten its stability. Surfactants, owing to amphiphilic nature, could keep asphaltene dissolved in crude oil by precluding self-tendency of those particles to making agglomerates. Despite importance of this subject, there is still lack of sufficient experimental data to evaluate effectiveness of... 

    Apoptotic and anti-apoptotic genes transcripts patterns of graphene in mice

    , Article Materials Science and Engineering C ; Volume 71 , 2017 , Pages 460-464 ; 09284931 (ISSN) Ahmadian, H ; Hashemi, E ; Akhavan, O ; Shamsara, M ; Hashemi, M ; Farmany, A ; Daliri Joupari, M ; Sharif University of Technology
    Elsevier Ltd  2017
    Abstract
    Recent studies showed that a large amount of graphene oxide accumulated in kidney and liver when it injected intravenously. Evaluation of lethal and apoptosis gene expression in these tissues, which are under stress is very important. In this paper the in vivo dose-dependent effects of graphene oxide and reduced graphene oxide nanoplatelets on kidney and liver of mice were studied. Balb/C mice were treated by 20 mg/kg body weight of nanoplatelets. Molecular biology analysis showed that graphene nanoplatelets injected intravenously lead to overexpression of BAX gene in both kidney and liver tissues (P ≥ 0.01). In addition these nanoparticles significantly increase BCL2 gene expression in both... 

    Application of ANFIS-PSO as a novel method to estimate effect of inhibitors on asphaltene precipitation

    , Article Petroleum Science and Technology ; Volume 36, Issue 8 , 2018 , Pages 597-603 ; 10916466 (ISSN) Malmir, P ; Suleymani, M ; Bemani, A ; Sharif University of Technology
    Taylor and Francis Inc  2018
    Abstract
    Asphaltene precipitation in petroleum industries is known as major problems. To solve problems there are approaches for inhibition of asphaltene precipitation, Asphaltene inhibitors are known effective and economical approach for inhibition and prevention of asphaltene precipitation. In the present study Adaptive neuro-fuzzy inference system (ANFIS) was coupled with Particle swarm optimization (PSO) to create a novel approach to predict effect of inhibitors on asphaltene precipitation as function of crude oil properties and concentration and structure of asphaltene inhibitors.in order to training and testing the algorithm, a total number of 75 experimental data was gathered from the... 

    Electrochemical potential noise analysis of Cu-BTA system using wavelet transformation

    , Article Journal of Electroanalytical Chemistry ; Volume 633, Issue 1 , 2009 , Pages 240-245 ; 15726657 (ISSN) Attarchi, M ; Roshan, M. S ; Norouzi, S ; Sadrnezhaad, S. K ; Jafari, A ; Sharif University of Technology
    Elsevier  2009
    Abstract
    Electrochemical potential noise analysis was used to investigate corrosion behavior of copper electrodes in presence of 0.001, 0.005, 0.01 and 0.02 M benzotriazole (BTA) inhibitor. Energy distribution of the potential noise was obtained from wavelet transformation using the 4th order Daubechies pattern. Two lowest frequencies were added-up and fitted to the impulse response of the first order circuit to achieve the time-constant vs. concentration (T-C) diagram. T-C diagram can be used either as a conventional diagram of inhibition efficiency or a tool for evaluation of the surface film dielectric constant. The assumptions made in this treatment were confirmed by EIS method. © 2009 Elsevier... 

    AntAngioCOOL: computational detection of anti-angiogenic peptides

    , Article Journal of Translational Medicine ; Volume 17, Issue 1 , 2019 ; 14795876 (ISSN) Zahiri, J ; Khorsand, B ; Yousefi, A. A ; Kargar, M. J ; Shirali Hossein Zade, R ; Mahdevar, G ; Sharif University of Technology
    BioMed Central Ltd  2019
    Abstract
    Background: Angiogenesis inhibition research is a cutting edge area in angiogenesis-dependent disease therapy, especially in cancer therapy. Recently, studies on anti-angiogenic peptides have provided promising results in the field of cancer treatment. Methods: A non-redundant dataset of 135 anti-angiogenic peptides (positive instances) and 135 non anti-angiogenic peptides (negative instances) was used in this study. Also, 20% of each class were selected to construct an independent test dataset (see Additional files 1, 2). We proposed an effective machine learning based R package (AntAngioCOOL) to predict anti-angiogenic peptides. We have examined more than 200 different classifiers to build... 

    QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberg-Marquardt algorithm

    , Article European Journal of Medicinal Chemistry ; Volume 43, Issue 3 , 2008 , Pages 548-556 ; 02235234 (ISSN) Jalali Heravi, M ; Asadollahi Baboli, M ; Shahbazikhah, P ; Sharif University of Technology
    2008
    Abstract
    A linear and non-linear quantitative structure-activity relationship (QSAR) study is presented for modeling and predicting heparanase inhibitors' activity. A data set that consisted of 92 derivatives of 2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxylic acid, furanyl-1,3-thiazol-2-yl and benzoxazol-5-yl acetic acids is used in this study. Among a large number of descriptors, four parameters classified as physico-chemical, topological and electronic indices are chosen using stepwise multiple regression technique. The artificial neural networks (ANNs) model shows superiority over the multiple linear regressions (MLR) by accounting 87.9% of the variances of antiviral potency of the heparanase... 

    Application of genetic algorithm-kernel partial least square as a novel nonlinear feature selection method: Activity of carbonic anhydrase II inhibitors

    , Article European Journal of Medicinal Chemistry ; Volume 42, Issue 5 , 2007 , Pages 649-659 ; 02235234 (ISSN) Jalali Heravi, M ; Kyani, A ; Sharif University of Technology
    2007
    Abstract
    This paper introduces the genetic algorithm-kernel partial least square (GA-KPLS), as a novel nonlinear feature selection method. This technique combines genetic algorithms (GAs) as powerful optimization methods with KPLS as a robust nonlinear statistical method for variable selection. This feature selection method is combined with artificial neural network to develop a nonlinear QSAR model for predicting activities of a series of substituted aromatic sulfonamides as carbonic anhydrase II (CA II) inhibitors. Eight simple one- and two-dimensional descriptors were selected by GA-KPLS and considered as inputs for developing artificial neural networks (ANNs). These parameters represent the role... 

    Investigation of cancer response to chemotherapy: a hybrid multi-scale mathematical and computational model of the tumor microenvironment

    , Article Biomechanics and Modeling in Mechanobiology ; Volume 21, Issue 4 , 2022 , Pages 1233-1249 ; 16177959 (ISSN) Nikmaneshi, M. R ; Firoozabadi, B ; Sharif University of Technology
    Springer Science and Business Media Deutschland GmbH  2022
    Abstract
    Tumor microenvironment (TME) is a multi-scale biological environment that can control tumor dynamics with many biomechanical and biochemical factors. Investigating the physiology of TME with a heterogeneous structure and abnormal functions not only can achieve a deeper understanding of tumor behavior but also can help develop more efficient anti-cancer strategies. In this work, we develop a hybrid multi-scale mathematical model of TME to simulate the progression of a three-dimensional tumor and elucidate its response to different chemotherapy approaches. The chemotherapy approaches include multiple low dose (MLD) of anti-cancer drug, maximum tolerated dose (MTD) of anti-cancer drug,... 

    Study and Practical Solutions to Reduce the Heat Load Air Cooler in unit 200 Bouali Sina Petrochemical Co. to Reduce the Flaring

    , M.Sc. Thesis Sharif University of Technology Mohebbifar, Majid (Author) ; Farhadi, Fatollah (Supervisor)
    Abstract
    Inappropriate performance of the air-cooled condensers in the process industry will make the flow out of the air cooler not fully condensate and its pressure is greater than the design value. This will lead to product loss and safety issues. In this study, factors affecting the performance of air cooler and various solutions to solve these problems have been identified. As a case study, the first distillation tower of the Ali Siana Petrochemical Complex, which disrupts its function in some months of the year, has been investigated. Aspen Hysys process simulation software simulates the naphtha splitter unit and the Aspen Exchangers Design & Rating software simulates the air cooled condesor... 

    Laboratory and Modeling Study of Formation Injectivity Decline Due to Mineral Scale Deposition in Water Injection in one of Iranian Oil Resrvoirs

    , M.Sc. Thesis Sharif University of Technology Hashemkhani, Mohammed (Author) ; Masihi, Mohsen (Supervisor) ; Ghazanfari, Mohammad Hossein (Supervisor)
    Abstract
    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... 

    Chemometrics Modeling of MonoAmine Oxidase Inhibitory Effects of Pyrazoline Derivatives Using PCA-MLR-ANN Approaches

    , M.Sc. Thesis Sharif University of Technology Hassanzadeh Rad, Arman (Author) ; Jalali-Heravi, Mehdi (Supervisor)
    Abstract
    Prevalence of Multiple Drug Resistant Tuberculosis and use of Yersinia-Pestis in bioterrorism warrants synthesis of new antimicrobial agents. Although Pyrazoline derivatives were first synthesized as antimicrobial drugs, but they also had Mono Amine Oxidase inhibitory effects. In this Quantitative Structure – Activity Relationship (QSAR) study, MAO-I activity of pyrazoline derivatives were evaluated. By applying semi-empirical quantum calculations at AM1 level, optimum 3D geometry of 32 molecules were obtained.After descriptor generation, Principal Component Analysis (PCA) was performed to fiind out 5 outliers. After omitting outliers and sorting molecules according to IC50 values, Stepwise...