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    Theoretical Prediction of Free-Energy for Complex Macromolecules Self-Assembly

    , M.Sc. Thesis Sharif University of Technology Khoroush, Keyvan (Author) ; Tafazzoli, Mohsen (Supervisor) ; Ejtehadi, Mohammad Reza (Supervisor)
    Abstract
    These days, self-assembly is one of the most significant phenomena in chemistry and biology. Although There are some Experiments and Simulations which help us to understand self-assembly much more than before, their mechanism is poorly understood. As a result, Calculating Free-energy landscape could be a great development in this area.We use the Flat-histogram monte Carlo algorithm to calculate the density of states of a complex system. In this way, there is a comparison between the exact density of states of Ising Model and the same quantities that are obtained from Flat histogram Method. After that, there would be a combination of statistical thermodynamics and Graph theory toward drawing... 

    Study of the Affecting Factors on the Stability of G-Quadruplex Structures

    , Ph.D. Dissertation Sharif University of Technology Fadaei, Elham (Author) ; Tafazzoli, Mohsen (Supervisor)
    Abstract
    We used spectroscopic techniques to study self-assembled structures based on nucleobases like G-quadruplexes and macrocycles. Also we used DOSY NMR technique to study hydrogen bonding network in alcohol solutions. First part of our results indicate thermodynamic stability and slow kinetic of G-quadruplexes in apolar aromatic solvents like toluene. Also our results show easy monitoring of formation of each K+ or Na+ complex by NMR, due to the low solubility of alkaline metal salts in apolar media and possibility to stop at any given time in order to control G-quadruplex yield. When combined with suitable functional units, these valuable attributes may be used for the noncovalent synthesis of... 

    , M.Sc. Thesis Sharif University of Technology Mahdavi Shakib, Akbar (Author) ; Shahrokhian, Saeed (Supervisor)
    Abstract

    This experimental work is of two parts. First, self-assembled monolayers of cysteamine was formed on the gold electrode surface which leaded to the formation of amine groups on the surface; then amine bond was formed between these amine groups and the carboxylic acid groups of acid treated multi-walled carbon nanotubes (MWCNTs). The modified electrode was used for voltammetric determination of dopamine in the presence of uric acid. In the second part, acid treated MWCNTs were decorated with ruthenium nanoparticles; then the resulting composite was used for surface modification with the exact same procedure as the first part. Ruthenium nanoparticles on the electrode surface were... 

    Reinforcement Learning Approach in Self-Assembly Systems to Acquire Desired Structures

    , M.Sc. Thesis Sharif University of Technology Ravari, Amir Hossein (Author) ; Bagheri Shouraki, Saeed (Supervisor)
    Abstract
    Self-Assembly (SA) plays a critical role in the formation of different phenomena in nature. This phenomenon can be defined as an arrangement of meaningful patterns with the aggregate behavior of simpler structures. One of the examples of Self-Assembly can be considered of the formation of ice crystals from ice molecules. Previous works mainly focus on graph grammar and self-assembly in fully observable environments. These algorithms mainly consist of two main stages: first, constructing simpler structures and then joining these simpler structures to form a complex structure. The challenges of the previous work can be considered as the necessity of a central controller in the formation of... 

    Investigation the Effect of Formamidinium Lead Halide on the Stability and Performance of Graphene Phototransistors Based on Lead Sulfide

    , Ph.D. Dissertation Sharif University of Technology Aynehband, Samaneh (Author) ; Simchi, Abdolreza (Supervisor)
    Abstract
    Enhancing the detection range, sensitivity and stability of phototdetectors due to their vast applications are in great importance. In recent years, Lead sulfide quantum dots, in order to their absorption over a wide range of wavelengths including Near-infrared (NIR), multiple exciton generation effect and solution processability are promising materials.However, long organic surface ligands which are necessary in synthesis process can suppress the carrie transport and the common method to overcome this weakness, is ligand exchange process. In this way, using short organic ligands because of their low electron mobility and methylammonium lead iodide ligands in order to their instability,... 

    Collective Motion and Molecular Assembly of Nanocars on the Surface

    , Ph.D. Dissertation Sharif University of Technology Vaezi, Mehran (Author) ; Nejat Pishkenari, Hossein (Supervisor) ; Ejtehadi, Mohammad Reza (Supervisor)
    Abstract
    In the present thesis, the movement of the clusters of fullerenes and nanocars are separately investigated on graphene surface, using molecular dynamics simulations. Investigating the fullerene clusters with different populations, it is concluded that, as the number of molecules inside the cluster increases, the displacement range of the motion decreases. In fact, some parts of the energy of the fullerene cluster are wasted through the intermolecular interactions, and as a result, the mobility of the cluster diminishes. During the investigation of the three-dimensional structures of fullerene, the wetting property of the clusters is revealed relative to the graphene surface. The decrease of... 

    Application of sol-gel based molecularly imprinted xerogel for on-line capillary microextraction of fentanyl from urine and plasma samples

    , Article Analytical Methods ; Volume 5, Issue 24 , 2013 , Pages 7096-7101 ; 17599660 (ISSN) Bagheri, H ; Piri-Moghadam, H ; Bayat, P ; Balalaie, S ; Sharif University of Technology
    2013
    Abstract
    A molecularly imprinted xerogel (MIX) for fentanyl was successfully prepared on the inner surface of a copper tube by sol-gel technology. Primarily, the tube was treated by self-assembly monolayers of 3-(mercaptopropyl) trimethoxysilane and then [3-(2,3-epoxypropoxy)-propyl]-trimethoxysilane was employed as a precursor for imprinting the template molecule in acidic conditions. During the sol-gel process influential parameters including volume and concentration of fentanyl were carefully investigated to obtain the most efficient and appropriate xerogel. In parallel, a non-imprinted xerogel (NIX) was synthesized in the absence of fentanyl. The extraction efficiencies achieved from MIX and NIX,... 

    Development of block copolymer-templated crack-free mesoporous anatase-TiO2 film: tailoring sol–gel and EISA processing parameters and photovoltaic characteristics

    , Article Journal of Materials Science: Materials in Electronics ; Volume 26, Issue 3 , March , 2015 , Pages 1543-1553 ; 09574522 (ISSN) Mozaffari, N ; Mohammadi, M. R ; Faghihi Sani, M. A ; Sharif University of Technology
    Springer New York LLC  2015
    Abstract
    A new facile strategy for preparation of mesoporous anatase-TiO2 films by a combination of sol–gel and evaporation-induced self-assembly (EISA) processes aided by tri-block Pluronic F127 is reported. Two major parameters, sol preparation and EISA processing parameters, are identified for preparation of mesoporous crack-free films with desired thickness. The mesoporous crack-free films with thickness of 650 nm can be obtained with low water: precursor molar ratio (e.g., 2.5:1) under aging in 10 % relative humidity for 72 h at the low temperature of 5 °C. Although template: precursor molar ratio and annealing temperature show little influence on preparation of crack-free films the optimum... 

    Comparative study on effect of titania morphology for light harvesting and scattering of DSSCs: Mesoporous nanoparticles, microspheres, and dandelion-like particles

    , Article Environmental Progress and Sustainable Energy ; Volume 35, Issue 6 , 2016 , Pages 1818-1826 ; 19447442 (ISSN) Mozaffari, N ; Mohammadi, M. R ; Andaji Garmaroudi, Z ; Musvi Gharavi, P. S ; Sharif University of Technology
    John Wiley and Sons Inc 
    Abstract
    The light scattering and harvesting effects in dye-sensitized solar cells (DSSCs) is studied by controlling morphology, phase composition, and thickness of monolayer and double-layer TiO2 photoanode electrodes. The starting materials for preparation of TiO2 cells, including 25 nm mesoporous anatase nanoparticles, 200 nm anatase microspheres, 10 µm dandelion-like rutile particles and 40 nm nanoparticles containing 80% anatase-20% rutile, are synthesized by evaporation-induced self-assembly, sol-gel, and hydrothermal processes. It was found that the mesoporous anatase nanoparticles may improve light harvesting and dye-sensitization due to their high surface area and small particle size,... 

    Guided mode extraction in monolayer colloidal crystals based on the phase variation of reflection and transmission coefficients

    , Article Optics Communications ; Volume 364 , 2016 , Pages 44-49 ; 00304018 (ISSN) Nekuee, S. A. H ; Akbari, M ; Khavasi, A ; Sharif University of Technology
    Elsevier 
    Abstract
    An accurate and fast method for guided modes extraction in monolayer colloidal crystals and their inverse replicas is presented. These three-dimensional structures are composed of a monolayer of spherical particles that can easily and simply be prepared by self-assembly method in close packed hexagonal lattices. In this work, we describe how the guided modes, even or odd modes and light cone boundary can be easily determined using phase variations of reflection and transmission coefficients. These coefficients are quickly calculated by Fourier modal method. The band structures are obtained for a monolayer of polystyrene particles and two-dimensional TiO2 inverse opal by this proposed method  

    Specific picomolar detection of a breast cancer biomarker her-2/neu protein in serum: electrocatalytically amplified electroanalysis by the aptamer/peg-modified electrode

    , Article ChemElectroChem ; Volume 4, Issue 4 , 2017 , Pages 872-879 ; 21960216 (ISSN) Salimian, R ; Kékedy Nagy, L ; Ferapontova, E. E ; Sharif University of Technology
    Wiley-VCH Verlag  2017
    Abstract
    Specific and sensitive electroanalysis of blood-circulating protein cancer biomarkers is often complicated by interference from serum proteins nonspecifically adsorbing at the biosensing interface and masking specific reactions of interest. Here, we have developed an electrocatalytically amplified assay for specific and sensitive analysis of human epidermal growth factor receptor-2 (HER-2/neu, a protein cancer biomarker over-expressed in breast cancers) that allows us to avoid both the interference from bovine serum albumin (BSA) and electrocatalytic amplification of the signal stemming from the specific aptamer−HER-2/neu binding. A HER-2/neu-specific thiolated aptamer sequence was... 

    Layer-by-layer self assembly deposition and characterization of TiO 2 nanoparticles by using a short chain polycation

    , Article EPJ Applied Physics ; Volume 48, Issue 1 , 2009 , Pages 10602p1-10602p7 ; 12860042 (ISSN) Rahman, M ; Taghavinia, N ; Sharif University of Technology
    2009
    Abstract
    Using low molecular weight polyethylenimine (PEI), transparent thin films of TiO2 nanoparticles were prepared by layer-by-layer self assembly method. UV-visible spectrophotometry was employed in a quantitative manner to monitor the adsorbed mass of TiO2 and PEI after each dip cycle. The adsorption of both TiO2 and PEI showed a saturation dip time of 10 min. The effect of dip time on the growth mode and surface morphology was investigated by scanning electron microscopy (SEM) and non-contact atomic force microscopy (AFM). It was found that growth proceeds in the form of laterally broad islands in case of short dip times, and taller but laterally smaller islands in case of longer dip times. A... 

    Effect of collision on self-assembly of nanoparticles in zirconia microparticle suspension

    , Article Journal of Dispersion Science and Technology ; 2020 Jiryaei, Z ; Saidi, M. H ; Sharif University of Technology
    Bellwether Publishing, Ltd  2020
    Abstract
    Nanoparticle halo mechanism is a stabilization method for microparticle suspensions. This study investigates suspension pH and nanoparticles–microparticles collision effects on the stabilization of an aqueous binary suspension. The long-term turbidity measurements show that for the nanosilica suspension stability is directly correlated with pH values; however, in the cases of zirconia and binary suspensions, it is not a monotonic function of pH. It is shown that for binary suspension, the halo mechanism is the primary method affecting the stability of the suspension. The suspension is best-stabilized at pH = 5 that is associated with high halo mechanism efficiency, while increased repulsive... 

    Carbonaceous supports decorated with Pt–TiO2 nanoparticles using electrostatic self-assembly method as a highly visible-light active photocatalyst for CO2 photoreduction

    , Article Renewable Energy ; Volume 145 , January , 2020 , Pages 1862-1869 Larimi, A ; Khorasheh, F ; Sharif University of Technology
    Elsevier Ltd  2020
    Abstract
    Supported Pt–TiO₂ photocatalysts on carbonaceous supports were synthesized by the electrostatic self-assembly method to study CO₂ photoreduction to produce CH₄. Catalytic activities of the prepared photocatalysts were correlated with the particle size and dispersion of the active metal, which in turn depended on the type of carbonaceous support used, varying in the order of multi-walled carbon nanotubes (MWCNT) > Single-walled carbon nanotubes (SWCNT) > reduced graphene oxide > activated carbon. Generally, all catalysts were highly photoresistant with less than 5% loss of activity in terms of CH₄ yield. Pt–TiO₂/multi-walled carbon nanotubes exhibited better catalytic activity compared with... 

    Self-assembly of dandelion-like hydroxyapatite nanostructures via hydrothermal method

    , Article Journal of the American Ceramic Society ; Volume 91, Issue 10 , 2008 , Pages 3292-3297 ; 00027820 (ISSN) Lak, A ; Mazloumi, M ; Mohajerani, M ; Kajbafvala, A ; Zanganeh, S ; Arami, H ; Sadrnezhaad, S. K ; Sharif University of Technology
    2008
    Abstract
    Self-assembled dandelion-like hydroxyapatite (HAp) nanostructures were successfully synthesized via a mild template-free hydrothermal process, using ethylenediaminetetraacetic acid (EDTA) as the surfactant. The obtained dandelion-like HAp nanostructures were between 5 and 8 μm in diameter and were composed of radially oriented nanorods with an average diameter of about 200 nm. The X-ray diffraction analysis and Fourier transform infrared spectroscopy were used to characterize the crystalline phase and purity of the synthesized nanostructures. The Brunauer-Emmett-Teller surface area of the dandelion-like nanostructures was measured to be about 39 m2/g. The results of thermal analysis revealed... 

    Magnetic Fe3O4@UiO-66 nanocomposite for rapid adsorption of organic dyes from aqueous solution

    , Article Journal of Molecular Liquids ; Volume 322 , 2021 ; 01677322 (ISSN) Ahmadipouya, S ; Heidarian Haris, M ; Ahmadijokani, F ; Jarahiyan, A ; Molavi, H ; Matloubi Moghaddam, F ; Rezakazemi, M ; Arjmand, M ; Sharif University of Technology
    Elsevier B.V  2021
    Abstract
    Human society is becoming more intransigent on removing organic dyes from polluted water before discharging to the environment. To fulfill this goal, a magnetic metal-organic framework adsorbent based on functionalized magnetic Fe3O4 nanoparticles and highly water stable UiO-66 with high porosity and sensitivity to the external magnetic field was designed and synthesized via an easy step-by-step self-assembly technique. The synthesized adsorbent magnetic nanoparticles (Fe3O4@UiO-66) were applied to remove organic dyes, i.e., methyl orange (MO) and methylene blue (MB), from a contaminated aqueous solution. The experiments displayed that magnetic Fe3O4@UiO-66 has good adsorption uptake for MO... 

    Magnetic Fe3O4@UiO-66 nanocomposite for rapid adsorption of organic dyes from aqueous solution

    , Article Journal of Molecular Liquids ; Volume 322 , 2021 ; 01677322 (ISSN) Ahmadipouya, S ; Heidarian Haris, M ; Ahmadijokani, F ; Jarahiyan, A ; Molavi, H ; Matloubi Moghaddam, F ; Rezakazemi, M ; Arjmand, M ; Sharif University of Technology
    Elsevier B.V  2021
    Abstract
    Human society is becoming more intransigent on removing organic dyes from polluted water before discharging to the environment. To fulfill this goal, a magnetic metal-organic framework adsorbent based on functionalized magnetic Fe3O4 nanoparticles and highly water stable UiO-66 with high porosity and sensitivity to the external magnetic field was designed and synthesized via an easy step-by-step self-assembly technique. The synthesized adsorbent magnetic nanoparticles (Fe3O4@UiO-66) were applied to remove organic dyes, i.e., methyl orange (MO) and methylene blue (MB), from a contaminated aqueous solution. The experiments displayed that magnetic Fe3O4@UiO-66 has good adsorption uptake for MO... 

    Evaporation mitigation assessment by self-assembled nano-thickness films in shallow fresh water lake using fixed and semi-floating pans

    , Article Environmental Processes ; Volume 9, Issue 3 , 2022 ; 21987491 (ISSN) Nejatian, A ; Mohammadi, M ; Doulabi, M ; Iraji zad, A ; Tajrishy, M ; Sharif University of Technology
    Springer Science and Business Media Deutschland GmbH  2022
    Abstract
    Controlling evaporation plays an essential role in arid and semi-arid water resources systems where it accounts for a considerable amount of reservoirs outflow. In this study, we have evaluated evaporation reduction efficiency of different kinds of self-assembled nano-thickness films. The films consist of six different combinations of stearyl and cetyl alcohols with additives such as jojoba oil, stearic acid, and calcium hydroxide. The study lasted from July to August and utilized two pairs of class A evaporation pans: one pair was semi-floating on Chitgar lake water surface while the other one was located on the shore. The experimental results showed that a monolayer containing 3:1 stearyl... 

    Effect of collision on self-assembly of nanoparticles in zirconia microparticle suspension

    , Article Journal of Dispersion Science and Technology ; Volume 43, Issue 6 , 2022 , Pages 787-795 ; 01932691 (ISSN) Jiryaei, Z ; Saidi, M. H ; Sharif University of Technology
    Taylor and Francis Ltd  2022
    Abstract
    Nanoparticle halo mechanism is a stabilization method for microparticle suspensions. This study investigates suspension pH and nanoparticles–microparticles collision effects on the stabilization of an aqueous binary suspension. The long-term turbidity measurements show that for the nanosilica suspension stability is directly correlated with pH values; however, in the cases of zirconia and binary suspensions, it is not a monotonic function of pH. It is shown that for binary suspension, the halo mechanism is the primary method affecting the stability of the suspension. The suspension is best-stabilized at pH = 5 that is associated with high halo mechanism efficiency, while increased repulsive... 

    Preparation of Mesoporous Titania Film Using Block Copolymer Template in Application of Dye-sensitized Solar Cell

    , M.Sc. Thesis Sharif University of Technology Babamahdi, Zahra (Author) ; Mohammadi, Mohammad Reza (Supervisor)
    Abstract
    The Mesoporous Titanium Dioxide film using Sol-Gel method and Evaporation-Induced Self-Assembly technique (EISA) was prepared. In this study, in order to employ the best coatings in anode electrode of dye-sensitized solar cell, different conditions of making this film, the effective parameters in final structure, and various methods of coating were analyzed. After optimizing the conditions of film creating, images of field emission scanning electron microscope (FESEM) proved the formation of a layer of mesoporous structure which thickness after three times of coating is about 1.5 micrometers. In order to increase the energy conversion efficiency of solar cells, a new formulation for...