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    Synthesis, Characterization and Modeling of Active Sites in Dinuclear Metalloenzymes

    , Ph.D. Dissertation Sharif University of Technology Khadir, Narjes (Author) ; Mohammadi Boghaei, Davar (Supervisor)
    Abstract
    In order to have more understanding of the cooperative effect between the metal centers in the multimetallic complexes, on their physicochemical properties and chemical reactivity, some new bi- and tetra-nuclear Cu(II), Ni(II) and Pd(II) complexes of compartmental binucleating ligands were synthesized and characterized. In this study, a series of new compartmental binucleating thiophenol-based proligands PL1-PL4 from the Schiff base condensation of 2 equiv. of o-aminophenol or 2-amino-4-methylphenol with 1 equiv. of 2,6-diformyl-4-alkyl- thiocarbamoyl were synthesized and characterized. New Bi- and tetra-nuclear copper (II) complexes derived from these binucleating compartmental... 

    The thermodynamic study of interaction between folic acid and
    Cu(L) 2 (L=gly, ala, val )

    , M.Sc. Thesis Sharif University of Technology khadir, Narjes (Author) ; Mohammadi Boghaei, Davar (Supervisor)
    Abstract
    The complexation between folic acid and the complexes of Cu(L)2 (L = Glycine, Alanine, Valine) were investigated using UV.Vis spectroscopy. The values of the equilibrium constant K and molar absorption coefficient Ɛ of the complexes were estimated in the aquation environment at various temperatures. The temperature dependence of the K can be used for the determination of the thermodynamic reaction quantities (∆G, ∆H, ∆S) for linear regression fits to the Van’t Hoff equation. The kinetic studies reveals that the stoichiometry of reaction were 1:1 for these systems. All reaction were endothermic and the values of the ∆H are positive. In all cases entropy increased and the values of the ∆S... 

    Synthesis and characterization of two binuclear nickel(II) complexes of thiophenol-based "end-off" compartmental ligands and their application as catalysts for selective oxidation of sulfides

    , Article Journal of Coordination Chemistry ; Volume 69, Issue 1 , 2016 , Pages 103-111 ; 00958972 (ISSN) Khadir, N ; Amini, M ; Assoud, A ; Bagherzadeh, M ; Boghaei, D. M ; Sharif University of Technology
    Taylor and Francis Ltd  2016
    Abstract
    Reaction of the binucleating S-protected ligand precursors 2-(N,N-dimethylthiocarbamato)-5-methylisophthalaldehyde di-2′-hydroxy anil (I) and 2-(N,N-dimethylthiocarbamato)-5-methylisophthalaldehyde di-2′-hydroxy 5′-methyl anil (II) with nickel(II) acetate tetrahydrate in the presence of pyrazole afforded the binuclear nickel(II) complexes [LINi2(pz)] (1) and [LIINi2(pz)] (2), respectively. The complexes have been characterized by routine physicochemical studies as well as by X-ray single crystal structure analysis. In both complexes, Ni(II) ions are doubly bridged by the thiophenolic sulfur of the pentadentate Schiff base ligand and a pyrazolate group. Efficient protocols for the oxidation... 

    Synthesis and crystal structures of a series of (μ-thiophenolato)(μ-pyrazolato-N,N′) double bridged dipalladium(II) complexes and their application in Mizoroki-Heck reaction as highly efficient catalysts

    , Article Inorganica Chimica Acta ; Volume 440 , 2016 , Pages 107-117 ; 00201693 (ISSN) Khadir, N ; Tavakoli, G ; Assoud, A ; Bagherzadeh, M ; Boghaei, D. M ; Sharif University of Technology
    Elsevier S. A  2016
    Abstract
    Three new binucleating S-protected ligand precursors, 2-(N,N-dimethylthiocarbamato)-5-methylisophthalaldehyde di-2′-hydroxy 5′-methylanil (1b), 2-(N,N-dimethylthiocarbamato)-5-tert-butylisophthalaldehyde di-2′-hydroxyanil (2a) and 2-(N,N-dimethylthiocarbamato)-5-tert-butylisophthalaldehyde di-2′-hydroxy 5′-methylanil (2b), have been synthesized. The reaction of these ligand precursors with PdCl2 in the presence of pyrazole under Pd-mediated S-C cleavage yielded a series of binuclear palladium(II) complexes of general formula [LPd2(pz)], where pz is the exogenous bridging pyrazolyl ligand and L3- represents a series of pentadentate thiophenol-based bridging ligands originated from their... 

    The structure, magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N′) double bridged dicopper(II) complex

    , Article Dalton Transactions ; Volume 44, Issue 5 , Dec , 2015 , Pages 2431-2438 ; 14779226 (ISSN) Khadir, N ; Boghaei, D. M ; Assoud, A ; Nascimento, O. R ; Nicotina, A ; Ghivelder, L ; Calvo, R ; Sharif University of Technology
    Royal Society of Chemistry  2015
    Abstract
    A new binuclear copper(ii) complex, namely [Cu2L(pz)(DMSO)], where L = 2,6-bis[(2-phenoxy)iminomethyl]-4-methylthiophenolate(3-) and pz = pyrazolate ligand, has been synthesized by a one-pot synthesis involving copper(ii) acetate monohydrate, the S-protected ligand precursor 2-(N,N-dimethylthiocarbamato)-5-methylisophthalaldehyde di-2′-hydroxy anil, (I), and pyrazole, in which a metal-promoted S-deprotection reaction occurs during the formation of the complex. This was characterized by routine physicochemical studies, single crystal X-ray diffraction and electron paramagnetic resonance (EPR) techniques. The structure analysis reveals that there are copper centres in two different... 

    Recent activities in science and technology and the progress of women in physics in the last three years in Iran

    , Article AIP Conference Proceedings, Stellenbosch ; Volume 1517 , 2013 , Pages 108-109 ; 0094243X (ISSN); 9780735411388 (ISBN) Izadi, D ; Azad, M. T ; Mahmoudi, N ; Izadipanah, N ; Eshghi, N ; Sharif University of Technology
    2013
    Abstract
    For the 4th IUPAP International Conference of Women in Physics, we report on activities in science and engineering in Iran, and conditions for women in physics, in the three years since the 3rd IUPAP International Conference of Women in Physics was held in 2008. Iran has made prominent advancements and astonishing progress in laser technology, biotechnology, nanotechnology, genetics, computer software and hardware, and robotics. Iranian scientists have been very productive in several experimental fields, such as pharmaceutical, organic, and polymer chemistry. Conditions for women in physics have improved greatly in recent years. A project to improve the environment for learning physics, and... 

    Lead-free MAGeI3 as a suitable alternative for MAPbI3 in nanostructured perovskite solar cells: a simulation study

    , Article Environmental Science and Pollution Research ; Volume 30, Issue 19 , 2023 , Pages 57032-57040 ; 09441344 (ISSN) Mehrabian, M ; Akhavan, O ; Rabiee, N ; Afshar, E. N ; Zare, E. N ; Sharif University of Technology
    Springer Science and Business Media Deutschland GmbH  2023
    Abstract
    The lead is a heavy metal with hazardous impacts on environment and human life. Lead-free perovskite solar cells have attracted much attention in recent years, due to eco-friendly characteristics. Meanwhile, Pb-containing cells showed the highest efficiencies among the various types of cells. Hence, designing novel Pb-free solar cells with comparable or better performance than the Pb-containing ones is highly required. In this work, a lead-free methyl-ammonium-germanium-iodide (MAGeI3)-based perovskite solar cell with ITO/TiO2/MAGeI3/Spiro-OMeTAD/Ag multilayer nanostructure has been proposed and its main characteristics including open-circuit voltage (VOC) and power conversion efficiency (η)... 

    Ab initio study of electronic effects in the ZnO/TiO2 core/shell interface: Application in dye sensitized solar cells

    , Article RSC Advances ; Vol. 4, issue. 1 , April , 2014 , p. 301-307 Pazoki, M ; Nafari, N ; Taghavinia, N ; Sharif University of Technology
    2014
    Abstract
    Core/shell structure of ZnO nanowires coated with a monolayer of TiO 2 is investigated using Density Functional Theory (DFT). The electronic states of the semiconductor is calculated and compared before and after coating of the TiO2 monolayer on a ZnO [101 0] surface. The effect of TiO2 coating induce surface states changes and shifts the conduction and valence band edges to higher energies. Our results, in qualitative agreement with the experimental work of Matt Law et al. (J. Phys. Chem. B, 110, 22652), show an increase in open circuit voltage and a decrease in short circuit current in ZnO/TiO2 core shell dye sensitized solar cells. Regarding the semiconductor density of states (DOS), TiO2... 

    Analyzing factors effective on the development of relationship commitment

    , Article Proceedings of the 2012 International Conference on Artificial Intelligence, ICAI 2012, 16 July 2012 through 19 July 2012 ; Volume 1 , July , 2012 , Pages 398-404 ; 1601322186 (ISBN) ; 9781601322180 (ISBN) Dehdashti, Y ; Lotfi, N ; Karami, N ; Sharif University of Technology
    2012
    Abstract
    Due to the important role of commitment and trust in the relationship marketing, the factors which can directly result in a committed relationship along with the factors which can influence the commitment through influencing trust, according to the model of commitment and trust by (Morgan & Hunt, 1994) have been introduced and their level of importance has been investigated here. The article uses fuzzy cognitive maps (FCMs) in the proposed model to find the most important paths leading to relationship commitment. The FCM analyzes the responses of a group of 30 people including general practitioners in dentistry, managers of dental departments in some of the public clinics and hospitals who... 

    Morphological dependence of light backscattering from metallic back reflector films: Application in dye-sensitized solar cells

    , Article Physica Status Solidi (A) Applications and Materials Science ; Volume 212, Issue 4 , January , 2015 , Pages 785-790 ; 18626300 (ISSN) Sharifi, N ; Ghazyani, N ; Taghavinia, N ; Sharif University of Technology
    Wiley-VCH Verlag  2015
    Abstract
    Conventionally, a film of TiO2 particles of 300 nm size is employed in Dye-sensitized solar cells (DSCs) as the back reflector film to enhance the light harvesting. Perfect reflectance of silver in visible and near infrared motivates to investigate its potential as the material for the light back reflector film in DSCs. In this study, light back reflector films consisting of 300 nm-sized silver particles, as well as vacuum evaporated silver flat film, were fabricated and compared to 300 nm-sized rutile-type TiO2 particulate reflector film to study their optical aspects. Conventional TiO2 rutile-type particulate film demonstrates slightly lower performance... 

    Monolithic dye sensitized solar cell with metal foil counter electrode

    , Article Organic Electronics ; Volume 57 , June , 2018 , Pages 194-200 ; 15661199 (ISSN) Behrouznejad, F ; Taghavinia, N ; Ghazyani, N ; Sharif University of Technology
    Elsevier B.V  2018
    Abstract
    Monolithic dye-sensitized solar cells are conventionally fabricated using carbon composite layer as the counter electrode. In the current research, the brittle carbon composite layer is replaced with a metal foil, aiming to decrease the device series resistance and using less catalyst material in counter electrode. This metallic structure has also an advantage of mechanical strength and decreases the fabrication complexity. The counter electrode is prepared by electrodepositing Cr film followed by electrodepositing Pt nanoparticles on a metal foil. As the porous spacer layer, different composite layers of SiO2, TiO2, and Al2O3 are investigated and the best results are obtained for TiO2... 

    Additive manufacturing: new paradigm for developing water splitting systems

    , Article International Journal of Hydrogen Energy ; Volume 49 , 2024 , Pages 116-142 ; 03603199 (ISSN) Mojabi, S ; Afsahi, N ; Naseri, N ; Sharif University of Technology
    Elsevier  2024
    Abstract
    Nowadays, the need for green energy resources is being felt more than at any other time due to the critical level of carbon emission and its considerable effects on the environment. Hydrogen as a promising substitute for fossil fuels can be produced via water splitting reactions and be applied in a carbon-free cycle. As one of the main pillars of the 4th industrial revolution, additive manufacturing (AM) technologies are attractive trends toward fabrication of the electrolyzers and electrodes with high surface area and customized architecture in an automated, time-saving, and waste-reducing manner. This review is devoted to electrocatalytic water splitting reports in which additive... 

    A compact versatile microbial fuel cell from paper

    , Article ASME 2013 11th Int. Conf. on Fuel Cell Science, Eng. and Technology Collocated with the ASME 2013 Heat Transfer Summer Conf. and the ASME 2013 7th Int. Conf. on Energy Sustainability, FUELCELL 2013 ; 2013 ; 9780791855522 (ISBN) Wagner, L. T ; Hashemi, N ; Hashemi, N ; Sharif University of Technology
    2013
    Abstract
    Microbial fuel cells (MFCs) have been a potential green energy source for a long time but one of the problems is that either the technology must be used on a large scale or special equipment have been necessary to keep the fuel cells running such as syringe pumps. Paper-based microbial fuel cells do not need to have a syringe pump to run and can run entirely by themselves when placed in contact with the fluids that are necessary for it to run. Paper-based microbial fuel cells are also more compact than traditional MFCs since the device doesn't need any external equipment to run. The goal of this paper is to develop a microbial fuel cell that does not require a syringe pump to function. This... 

    Decentralized model predictive voltage control of islanded DC microgrids

    , Article 11th Power Electronics, Drive Systems, and Technologies Conference, PEDSTC 2020, 4 February 2020 through 6 February 2020 ; 2020 Abbasi, M ; Mahdian Dehkordi, N ; Sadati, N ; Sharif University of Technology
    Institute of Electrical and Electronics Engineers Inc  2020
    Abstract
    This paper proposes a novel decentralized control approach for islanded direct-current (DC) microgrids (MGs) based on model predictive control (MPC) to regulate the distributed generation unit (DGU) output voltages, i.e. the voltages of the point of common coupling (PCC). A local controller is designed for each DGU, in the presence of uncertainties, disturbances, and unmodeled dynamics. First, a discrete-time state-space model of an MG is derived. Afterward, an MPC algorithm is designed to perform the PCC voltage control. The proposed MPC scheme ensures that the PCC voltages remain within an acceptable range. Several simulation studies have been conducted to illustrate the effectiveness of... 

    Intelligent optimal feed-back torque control of a 6DOF surgical rotary robot

    , Article 11th Power Electronics, Drive Systems, and Technologies Conference, PEDSTC 2020, 4 February 2020 through 6 February 2020 ; 2020 Tajdari, F ; Ebrahimi Toulkani, N ; Zhilakzadeh, N ; Sharif University of Technology
    Institute of Electrical and Electronics Engineers Inc  2020
    Abstract
    Sophisticated surgeons are widely indicating the use of surgical robots in order to reject human error, increase precision, and speed. Among well-known robotic mechanisms, parallel robots are broadly more investigated regarding their special characters as higher acceleration, speed, and accuracy, and less weight. Specific surgical procedures confine, and restrict their workspace, while controlling and validating the robots are complicated regarding to their complex dynamic. To this end, in this paper, a 6-DOF robot, with rotary manipulators, is designed and controlled. Addressing nonlinearity of parallel robots, an innovative methodology is formulated to robustly penalize the error of... 

    Semi-Real evaluation, and adaptive control of a 6DOF surgical robot

    , Article 11th Power Electronics, Drive Systems, and Technologies Conference, PEDSTC 2020, 4 February 2020 through 6 February 2020 ; 2020 Tajdari, F ; Ebrahimi Toulkani, N ; Zhilakzadeh, N ; Sharif University of Technology
    Institute of Electrical and Electronics Engineers Inc  2020
    Abstract
    Sophisticated surgeons are widely indicating the use of surgical robots in order to reject human error, increase precision, and speed. Among well-known robotic mechanisms, parallel robots are broadly more investigated regarding their special characters as higher acceleration, speed, and accuracy, and less weight. Specific surgical procedures confine and restrict their workspace, while controlling and validating the robots are complicated based on their complex dynamic. To this end, in this paper, a 6-DOF robot, with linear manipulators, is designed and controlled. Addressing the inherent nonlinearity of the robot mechanism, an adaptive PID manipulator is employed and validated with nonlinear... 

    Modeling superconductive fault current limiter using constructive neural networks

    , Article 2007 IEEE International Symposium on Industrial Electronics, ISIE 2007, Caixanova - Vigo, 4 June 2007 through 7 June 2007 ; 2007 , Pages 2859-2863 ; 1424407559 (ISBN); 9781424407552 (ISBN) Makki, B ; Sadati, N ; Hosseini, M. N ; Sharif University of Technology
    2007
    Abstract
    Although so many advances have been proposed in the field of artificial intelligence and superconductivity, there are few reports on their combination. On the other hand, because of the nonlinear and multivariable characteristics of the superconductive elements and capabilities of neural networks in this field, it seems useful to apply the neural networks to model and control the superconductive phenomena or devices. In this paper, a new constructive neural network (CNN) trained by two different optimization algorithms; back-propagation and genetic algorithm, is proposed which models the behavior of the superconductive fault current limiters (SFCLs). Simulation results show that the proposed... 

    Satellite attitude tracking using optimal neuro-controller

    , Article 2003 IEEE Aerospace Conference, Big Sky, MT, 8 March 2003 through 15 March 2003 ; Volume 6 , 2003 , Pages 2663-2669 ; 1095323X (ISSN); 078037651X (ISBN); 9780780376519 (ISBN) Meghdari, A ; Sadati, N ; Tehrani, N. D ; Sharif University of Technology
    2003
    Abstract
    In this paper, a new control strategy for optimal attitude tracking control of a multivariable satellite system has been presented. The approach is based on a Multilayer Perceptron Neural Network (MLPNN) and a classical PD Controller for its initial stabilization. It is shown how the network can be employed as a multivariable self-organizing and self-learning controller in conjunction with a PD controller for attitude control of a satellite. By using three thrusters and quaternion for kinematics representation, the attitude dynamics of the satellite has been presented. In contrast to the previous classical approaches, it is shown how this controller can be carried out in an on-line manner... 

    Effect of heat treatment cycle on the mechanical properties of machinable austempered ductile iron

    , Article 16th International Metallurgical and Materials Conference, METAL 2007, 22 May 2007 through 24 May 2007 ; 2007 Tadayon Saidi, M ; Baghersaee, N ; Varahram, N ; Hanumantha Rao, M ; Rao, G. V.S. N ; Sharif University of Technology
    TANGER spol. s r.o  2007
    Abstract
    ADI have been used for a wide variety of application in automotive,rail,and heavy engineering industry because of its excellent mechanical properties such as high strength with good ductility,good wear resistance,and good fatigue properties. The properties of austempered ductile iron are dependent on both chemistry and heat treatment, which has lead to invention of MADI (machinable austempered ductile iron). MADI is a new class of ductile iron with superior mechanical property than regular ductile iron with the same machinability characteristic. In this study Different cycles of austempering process (austenitization and austempering cycle) applied Due to the effect of heat treatment cycle on... 

    Effect of heat treatment cycle on the mechanical properties of machinable austempered ductile iron

    , Article 24th ASM International Heat Treating Conference and Exposition, Detroit, MI, 17 September 2007 through 19 September 2007 ; 2007 , Pages 323-327 ; 9781604239300 (ISBN) TadayonSaidi, M ; Baghersaee, E. N ; Varahram, N ; Rao, M. H ; Rao, G. V. S. N ; Sharif University of Technology
    2007
    Abstract
    ADI have been used for a wide variety of applications in automotive, rail, and heavy engineering industry because of its excellent mechanical properties such as high strength with good ductility, good wear resistance, and good fatigue properties. The properties of austempered ductile iron are dependent on both chemistry and heat treatment, which has lead to invention of MADI (machinable austempered ductile iron). MADI is a new class of ductile iron with superior mechanical property than regular ductile iron with the same machinability characteristic. In this study Different cycle of austempering process (austenitization and austempering cycle) applied Due to the effect of heat treatment...