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daneshfar--naser
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Hydrogen bonding effects on acidity enhancement of barbiturates and their metabolites in gas and solution phase, a DFT study
, Article Computational and Theoretical Chemistry ; Volume 1196 , 2021 ; 2210271X (ISSN) ; Fattahi, A ; Sharif University of Technology
Elsevier B.V
2021
Abstract
Density functional theory method and B3LYP/6-31+G(d) level of theory were used to predict the acidity of barbiturates and their corresponding metabolites in the gas and solution phase (H2O). Polarized continuum model was applied to calculate pKa values of barbiturates and metabolites. A comparison between acidity of barbiturates and metabolites in the gas and solution phase indicates that the acidity strength of barbiturates enhances with the increase of intramolecular hydrogen bonds in metabolites. This acidity can increase to 9.47 kcal/mol in gas phase and 2.73 pKa units in solution phase for a typical metabolite of barbiturate due to the effect of intramolecular hydrogen bonds. Also,...
Effect if Strengthening of Continuous RC Beams with FRP Laminates on Moment Redistribution under Vertical Loads
, M.Sc. Thesis Sharif University of Technology ; Mostofinejad, Davoud (Supervisor)
Abstract
The continual deterioration and insufficient strength of reinforced concrete (RC) structures has been a vital problem in the field of civil engineering such an extent that traditional methods of strengthening found to be inconvenient. Nowadays by increasing demands for retrofitting of structures, it necessitates the application of efficient, inexpensive and unobtrusive methods of strengthening. Common way on retrofitting was to use of steel plates externally bonded to RC members. Although this technique has proven to be reasonably effective, it has several distinct disadvantages such as susceptibility of the steel plates to corrode and the excessive weight of steel plates when used in...
Synthesis and Application of Transition Metal Spinels (Cu, Ni, Co, Pd and Fe) as a Catalyst in Organic Reactions
, Ph.D. Dissertation Sharif University of Technology ; Matloubi Moghaddam, Firouz (Supervisor)
Abstract
In the first section, due to the important role of nanocatalysts in different fields of chemistry, magnetic metal ferrite nanoparticles were synthesized. Ferrite nanoparticles were synthesized using co-precipitation method and were characterized. Then, these nanoparticles were applied as catalyst system for one-pot β-ketophosphonates and thiophosphate synthesis.This is a green and efficient route for S-P and C-P bond construction using copper ferrite nanoparticles as catalyst. The application of a highly active recyclable heterogeneous nanocopper ferrite catalyst for the oxyphosphorylation reaction of various alkenes was conducted under ligand-free conditions, in acetonitrile as solvent at...
Catalyst-Free three-component synthesis of spirobenzimidazolidines bearing an indole scaffold
, Article Synlett ; Volume 29, Issue 17 , 2018 , Pages 2301-2305 ; 09365214 (ISSN) ; Moafi, A ; Zamani, Z ; Daneshfar, M ; Sharif University of Technology
Georg Thieme Verlag
2018
Abstract
An efficient catalyst-free one-pot three-component reaction was developed for the synthesis of a new family of N- A nd S-containing spirocyclic compounds. Various derivatives of spirobenzimidazolidine containing an indole scaffold were synthesized for the first time in a modestly toxic solvent and under mild reaction conditions. The reaction times were of the order of several minutes, and all the products were obtained in moderate to high yields (overall yields 58-80%). © Georg Thieme Verlag Stuttgart New York
Ferric metformin drug complex supported on magnetic nanofiber cellulose; An efficient access to 4-H pyrans derivatives and determination of their antimicrobial activity
, Article Synthetic Communications ; Volume 52, Issue 7 , 2022 , Pages 974-993 ; 00397911 (ISSN) ; Daneshfar, M ; Moghimi, H ; Daneshfar, Z ; Sharif University of Technology
Taylor and Francis Ltd
2022
Abstract
Magnetic nanofiber cellulose (NFC) was selected as a biopolymer surface for the reaction with ferric metformin and a novel nanocatalyst was prepared. This green heterogeneous organometallic catalyst was analyzed by physiochemical techniques. The new metformin drug complex supported on magnetic NFC was used as a powerful and efficient catalyst for the synthesis of functionalized 4H-pyrans derivatives. The antimicrobial activity of the products showed excellent activity against all the bacterial and fungal strains (especially compounds 7q and 6r). © 2022 Taylor & Francis Group, LLC
Theoretical Investigation of Hydrogen Bonding Effects on Acidity Enhancement of Cyclic Amides and Barbiturates in Gas and Solution Phase
, M.Sc. Thesis Sharif University of Technology ; Fattahi, Alireza (Supervisor) ; Mahmoodi Hashemi, Mohammad (Supervisor)
Abstract
Hydrogen bonding is an important weak interaction encountered in gas, liquid, as well as solid phase. The hydrogen bond plays a very vital role in many life processes and is one of the most frequently used terms in chemistry and biology. Amides have several applications as drugs, antibacterials and antifungals. Different substituents can affect the acidity of amides. Investigation have shown that hydroxyl function group can increase the acidity of many organic molecules through interamolecular hydrogen bonding. The goal of this project is to investigate the acidity of cyclic amides and barbiturates by adding hydroxyl group in the gas and solution phase. All the gas phase optimizations and...
The intra-cavity mode competition and laser absorption spectroscopy with CO2 laser
, Article Optik ; Vol. 125, issue. 10 , 2014 , p. 2248-2255 ; Salehi, A ; Daneshfar, N ; Bahrampour, A ; Moghaddam, R. F ; Sharif University of Technology
2014
Abstract
A mathematical model is developed for analysis the dynamics of an intra-cavity laser spectroscopy and mode competition using the CO2 laser as the coherent source. The governing equations of system are derived and effect of the absorbing material on the laser modes, as a time-dependent term is considered. Thus, the application of the CO2 laser for intra-cavity laser spectroscopy with considering an inhomogeneous medium and effect of the absorbing material is investigated
A Facile and Efficient Route for the Synthesis of Thiopyranoquinolines-Fused Indole Moiety Using 2-Chloroquinoline-3-carbaldehydes
, Article ChemistrySelect ; Volume 4, Issue 40 , 2019 , Pages 11683-11686 ; 23656549 (ISSN) ; Moafi, A ; Ziadkhani, A ; Daneshfar, M ; Razaghdoost, N ; Sharif University of Technology
Wiley-Blackwell
2019
Abstract
The reaction of 2-chloroquinoline-3-carbaldehydes with indoline-2-thione in ethanol provides a series of novel indolo[3′,2′:5,6]thiopyrano[2,3-b]quinoline derivatives. The desired products were obtained in short reaction time and high yields (69-93%) under mild reaction conditions. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
Theoretical study of hybrid TEA-CO2 lasers
, Article Optics and Laser Technology ; Volume 40, Issue 6 , September , 2008 , Pages 779-784 ; 00303992 (ISSN) ; Bahrampour, A. R ; Bahari, A ; Farrahi, R ; Daneshfar, N ; Sharif University of Technology
2008
Abstract
Temporal and spatial analysis of dynamics of hybrid transversely excited atmospheric pressure (TEA)-CO2 lasers is studied using two different models with four and eight energy levels. These models are used for simulation of the laser and computing the output energy. Effects of several parameters such as input energies and gas mixture concentrations (especially presence of CO molecules) are also studied. © 2007 Elsevier Ltd. All rights reserved
Simulation study of the Gachsaran asphaltene behavior within the interface of oil/water emulsion: a case study
, Article Colloids and Interface Science Communications ; Volume 33 , 2019 ; 22150382 (ISSN) ; Soodbakhsh Taleghani, M ; Badizad, M. H ; Daneshfar, R ; Sharif University of Technology
Elsevier B.V
2019
Abstract
Molecular dynamics (MD) simulation was utilized to study the role of asphaltene extracted from Gachsaran (an Iranian oilfield) at the synthetic oil-water interface. In agreement with experimental data, IFTs predicted by MD simulation for heptol/brine system showed a minima at around 50 vol.% n-heptane, reflecting the highest contribution of asphaltene into the interface. At greater n-heptane fractions, IFT was increased steadily. Simulation results suggest the asphaltene propensity for remaining in the bulk heptol phase rather related to the fraction of toluene in the mixture. Heptol ingredients, i.e., toluene and heptane, act differently with respect to asphaltene, where former tends to...
Investigation of Strongly Correlated Electron Systems with Dynamical Mean Field Theory
, Ph.D. Dissertation Sharif University of Technology ; Nafari, Naser (Supervisor)
Abstract
In this thesis we study the strongly correlated electron systems and investigate the interply between electron-electron and electron-phonon interactions using a non-perturbative method, known as Dy- namical Mean Field Theory (DMFT). This method is capable of going beyond standard perturbation techniques. DMFT is by construction a local theory which neglects spatial correlations. In a first step, we approach the problem of interplay between these two interactions in the normal state of cuprate materials using the Holstein-Hubbard model. We then introduce orbital degrees of freedom, and study the polaron crossover and the pairing transition for a two-orbital model with Jahn-Teller coupling to a...
Applying Data Mining Techniques in a Real Problem
, M.Sc. Thesis Sharif University of Technology ; Salmasi, Naser (Supervisor)
Abstract
Data mining (DM) is one of the newest techniques which is used in decision making. DM helps the specialist to find the valuable knowledge which is hidden in data, with different techniques. DM has many research areas such as scientific research, medical fields, health care, fraud detection, marketing and customer relationship, sport, and games, and where ever there is data. Unfortunately, in our country, DM is not engaged seriously and there are fallacies of DM that weaken its efficiency. In this thesis, which is prepared in two sections, at the first section different techniques of DM are described and in the second section DM process is performed for a real world problem. For this purpose,...
Localization of a Postulated Noise in VVER-1000 Reactor Core Using Neutron Noise Analysis Methods
, M.Sc. Thesis Sharif University of Technology ; Vosoughi, Naser (Supervisor)
Abstract
In this thesis, localization of a postulated noise from limited neutron detectors sparsely distributed throughout the core of a typical VVER-1000 reactor is investigated. For this purpose, developing a 2-D neutron noise simulator for hexagonal geometries based on the 2-group diffusion approximation, the reactor dynamic transfer function is calculated. The box-scheme finite difference method is first developed for hexagonal geometries, to be used for spatial discretisation of both 2-D 2-group static and noise diffusion equations. Using the discretised static equations, a 2-D 2-group static simulator (HEXDIF-2) is developed which its results are benchmarked against the well-known CITATION...
Using Data Mining In Supply Chain Management (SCM)
,
M.Sc. Thesis
Sharif University of Technology
;
Salmasi, Naser
(Supervisor)
Abstract
Nowadays, finding suppliers of goods and materials is easier than the past, because of developments in communications technology. Therefore, some of supply chains have expanded their relations to global area and select international partners. With an increase in the scope of suppliers available, supplier management sections encounter a large number of suppliers to choose from, and loads of information to process. Therefore proper methods must be adopted in order to evaluate the suppliers. One way is to create credit levels and ranking the suppliers according to past cooperation. Implementation of this method requires the use of tools that provide Comprehensive analysis of the occult rules...
Evaluation of Effective Parameter on the Cast Iron Part Defects Produced by EPC
, M.Sc. Thesis Sharif University of Technology ; Varahram, Naser (Supervisor)
Abstract
Process of casting with evaporative patterns and unbonded sand is a new method that due to different economic, environmental and technological benefits is considered to large and small industrial parts manufacturing in recent years. Different parameters are effective on the surface and metallurgical quality in this process, such as foam density, sand type and size, level and mode of vibration, sand compaction, coating and pouring time and temperature. If coating permeability that is function of type, thickness and concentration of coating is chosen improper, pyrolysis vapor of foam don’t exit completely and in this condition carbon of vapor deposit on the metal surface and produces defect...
Investment Management under Risk Constraints in Oil Industries
,
M.Sc. Thesis
Sharif University of Technology
;
Salmasi, Naser
(Supervisor)
Abstract
In this research the risk of oil price for Iran and Opec basket is studied. Several methods in order to estimate Value at Risk (VaR) such as Standard Historical Simulation, Historical Simulation with Autoregressive Forecast, Historical Simulation with moving average forecast, and ARMA are examined. The experiment is performed based on daily oil prices, from January 2005 to December 2009. The data is divided into two smaller time periods. The first, from 2005 to 2008, was used to estimate the model coefficients. The second part of data, i.e., the data gathered in 2009, was used for forecasting purposes. The result of experiment show that Historical Simulation with Autoregressive Forecasts...
Multicast Routing on Wireless Mesh Networks
, M.Sc. Thesis Sharif University of Technology ; Yazdani, Naser (Supervisor)
Abstract
Wireless mesh networks (WMN) appeared as popular communication networks supporting high speed and high throughput applications. They consist of mesh routers and mesh clients and they have unique characteristics like self organizing and self configuring of the mesh nodes that bring a great deal of efficiency, reliability and robustness to networks and decreases networks maintenance cost notably. Also WMNs provide an integration of different types of wireless networks by exploiting the gateway involvement. One of the important group communication technologies that offers high level of bandwidth conservation and efficiency is multicasting. It also decreases the cost of communication compared to...
Unfolding of the Gamma-Ray Spectrum of the Scintillator Detectors Using the Neural Network Method
, M.Sc. Thesis Sharif University of Technology ; Vosoughi, Naser (Supervisor)
Abstract
The analysis of gamma-ray spectra of low resolution detectors is difficult and sometimes impossible, as a result of photo peak’s overlapping. The usual methods of radiation spectra analysis based on fitting of peaks to mathematical curves or detecting of peaks with numerical calculation, are valid for high resolution detectors. However these methods are less successful for lower resolution detectors such as the common scintillators. The wide peaks in the spectrum maybe overlap and make it difficult to analysis. To solve this problem, we test here a method, based on the use of the artificial neural network. At first spectra of elements are converted to the patterns which are suitable for the...
Flexible Job Shop Scheduling with Sequence Dependent Setup Times
, M.Sc. Thesis Sharif University of Technology ; Salmasi, Naser (Supervisor)
Abstract
Due to increasing competition, Flexible Manufacturing System (FMS) take more attention in the new world. This flexibility is generally considered to fall into two categories, which both contain numerous subcategories. The first category, machine flexibility, covers the system's ability to be changed to produce new product types, and ability to change the order of operations executed on a part. The second category is called routing flexibility. Due to high variation in parts and low production volume, setup times are important. In this research, Flexible Jobshop Scheduling Problem with Sequence Dependent Setup Time (SDST-FJSP), as an extension of classical Jobshop scheduling problem (JSP), is...
Data Mining Application in Customer Relationship Management: Case study in Saipa Yadak Co.
,
M.Sc. Thesis
Sharif University of Technology
;
Salmasi, Naser
(Supervisor)
Abstract
One of the most applicable fields in data mining is customer relationship management (CRM). CRM process includes four aspects: Customer identification, Customer attraction, Customer retention, and Customer development. Data mining can be a supportive tool for decision making in each of these CRM aspects. Huge volume of data and information corresponding to CRM that exists in companies' databases, has made sufficient potential for data mining process and discovering hidden knowledge. Importance of concepts like customer needs identification, customer retention, and increasing customer value for companies has made the need to use of data mining techniques more valuable. Saipa Yadak Co., as a...