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Synthesis, Characterization and Modeling of Active Sites in Dinuclear Metalloenzymes
, Ph.D. Dissertation Sharif University of Technology ; 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
;
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...
Blood Pressure Estimation from PPG Signal Using Dynamic Time Warping Based Methods
, M.Sc. Thesis Sharif University of Technology ; Mohammadzade, Narjes alhoda (Supervisor) ; Behrozi, Hamid (Co-Supervisor)
Abstract
By continuously measuring blood pressure, we can prevent the irreversible effects of high blood pressure. With the traditional method of using a cuff, it is not possible to measure blood pressure continuously during the day, so for continuous monitoring of blood pressure, it is necessary to use a method without the need for a cuff. Based on previous studies, to estimate blood pressure, Photoplethysmogram and ECG signal features, or temporal and morphological features of Photoplethysmogram signal have been used. In methods that use ECG signals, signal recording is difficult, and methods that use both PPG and ECG signals are even more complex. Using only PPG signals also has its problems....
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) ; 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) ; 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...
Ranking Farsi Web Pages using Deep Neural Networks
, M.Sc. Thesis Sharif University of Technology ; Behrouzi, Hamid (Supervisor) ; Mohammadzadeh, Narjes Alhoda (Co-Supervisor) ; Kazemi, Reza (Co-Supervisor)
Abstract
The purpose of ranking Persian web pages is to retrieve the highest number of relevant documents related to the search query of Persian language users, with the minimum number of documents returned from the web. Information retrieval is one of the key issues in search engines. In this study, billions of documents were collected from Persian web pages, and due to infrastructure limitations, a few hundred million documents were indexed in a database like Elastic. Now, considering the user’s actual query, relevant documents should be retrieved from the indexed documents. To achieve this goal, a large Persian language model was needed. Existing large language models for Persian were not usable...
, M.Sc. Thesis Sharif University of Technology ; Samadfam, Mohammad (Supervisor) ; Mallah, Mohammad Hassan (Supervisor) ; Safdari, Jaber (Supervisor)
Abstract
In many uranium mines such as gachin-bandarabbas, use sulfuric acid for leaching operation on ore. This leach liquor, containing uranium, is extracted by organic solvent, such as D2EHPA (dapex process ).althogh this process have being used for many years, there is a vacancy for detailed thermodynamical studying on uranium extraction of uranium from leach liquor. To have a thermodynamical model, we need information on equilibrium concentration of all component that may have effect on uranium extraction in addition we need concentration of solvent , pH, phase ratio and activity coefficient.such a model must have the ability to predict the equilibrium concentration in alloperation condition....
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) ; 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...