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    QSAR Modeling of Inhibition Behavior of Diabetes Type II Inhibitors

    , M.Sc. Thesis Sharif University of Technology Bigdeli, Arafeh (Author) ; Jalali Heravi, Mehdi (Supervisor)
    Abstract
    QSAR studies play an important role in drug design and lead optimization by developing a mathematical relationship between the chemical structures of compounds and their biological activities.By using such an approach one could predict the activities of newly designed compounds before a decision is made whether these compounds should be really synthesized or tested. The main aim of the present work was to develop a QSAR model for predicting the inhibitory activity of acetyl CoA carboxylase (ACC)derivatives as anti-diabetic inhibitors. Since variable selection is a critical step in every QSAR study, four different algorithms, based on Monte Carlo cross-validation techniques, were... 

    Recovery of Gallium from Sodium Aluminate Solution in Bayer Process

    , M.Sc. Thesis Sharif University of Technology Habibi, Amir (Author) ; Yoozbashi Zadeh, Hossein (Supervisor)
    Abstract
    Gallium is a rare and precious metal that is of particular importance in the electronics industry due to its use in semiconductors. This metal is partially present in bauxite ore. Around 70% of gallium go into sodium aluminate solution during the leaching of bauxite in the Bayer process. Gallium can be extracted from this solution, which is also called bayer solution, by several methods. Solvent extraction is one of the most common methods for recovery of gallium from Bayer's solution. Capabilities of this method for metals separation and concentrating of polymetallic solution, makes it suitable for many commercial and operational application. In present work, different substances used to... 

    Gadolinium triflate immobilized on magnetic nanocomposites as recyclable Lewis acid catalyst for acetylation of phenols

    , Article Nanoscience and Nanotechnology Letters ; Vol. 6, issue. 4 , 2014 , p. 309-313 Rafiaei, S. M ; Kim, A ; Shokouhimehr, M ; Sharif University of Technology
    Abstract
    The acetylation of phenols with acetic anhydride proceeded in excellent yields when it was catalyzed by gadolinium triflate immobilized on magnetically recyclable nanocomposites. This heterogeneous catalyst provided high catalytic activity with low loading level (1 mol%), because the Lewis acid catalyst was grafted on the surface of the nanocomposites. The catalysts were also easily recovered from the reaction mixture using a magnet and reused for six consecutive cycles  

    Convenient synthesis of chlorohydrins from epoxides using zinc oxide: Application to 5,6-epoxysitosterol

    , Article Heteroatom Chemistry ; Volume 20, Issue 3 , 2009 , Pages 157-163 ; 10427163 (ISSN) Matloubi Moghaddam, F ; Saeidian, H ; Mirjafary, Z ; Jebeli Javan, M ; Moridi Farimani, M ; Seirafi, M ; Sharif University of Technology
    2009
    Abstract
    Efficient synthesis of protected and unprotected chlorohydrins has been achieved by ring opening of epoxides with acetyl/benzoyl chloride and TMSCl using a catalytic amount of ZnO as a reusable catalyst. The applicability of ZnO is further extended by performing the cleavage of the natural product 5,6-epoxysitosterol with acetyl chloride. © 2009 Wiley Periodicals, Inc  

    A cheap, simple, and versatile method for acetylation of alcohols and phenols and selective deprotection of aromatic acetates under solvent-free condition

    , Article Synthetic Communications ; Volume 35, Issue 3 , 2005 , Pages 483-491 ; 00397911 (ISSN) Rajabi, F ; Saidi, M. R ; Sharif University of Technology
    2005
    Abstract
    Acyclic and cyclic acetates of various alcohols and phenols were obtained in excellent yields under mild reaction conditions in the presence of a catalytic amount of sodium hydroxide under solvent-free conditions and microwave irradiation. Selective deprotection of acetate group from the corresponding phenolic compounds was carried out in the presence of LiClO4· 2H2O. Copyright © Taylor & Francis, Inc  

    Synthesis of new 2-aryl-4-chloro-3-hydroxy-1H-indole-5,7-dicarbaldehydes via Vilsmeier-Haack reaction

    , Article Journal of Heterocyclic Chemistry ; Volume 47, Issue 2 , 2010 , Pages 463-467 ; 0022152X (ISSN) Eftekhari Sis, B ; Zirak, M ; Akbari, A ; Hashemi, M. M ; Sharif University of Technology
    2010
    Abstract
    (Chemical Equation Presented) New 2-aryl-4-chloro-3-hydroxy-1H-indole-5,7- dicarbaldehydes were synthesized in three steps from acetophenone derivatives. By oxidation of acetophenones to aryl glyoxals using selenium dioxide and condensation with acetylacetone in the presence of ammonium acetate in water 3-acetyl-5-aryl-4-hydroxy-2-methyl-1H-pyrrols were obtained. 2-Aryl-4-chloro-3-hydroxy-1H-indole-5,7-dicarbaldehydes were synthesized via Vilsmeier-Haack reaction of pyrrole derivatives in moderate yields  

    Comparison of acidity and metal ion affinity of D-Glucosamine and N-acetyl-D-glucosamine, a DFT study

    , Article Journal of Molecular Graphics and Modelling ; Volume 98 , April , 2020 Mosapour Kotena, Z ; Fattahi, A ; Sharif University of Technology
    Elsevier Inc  2020
    Abstract
    The derivatives of glucose such as glucosamine (β-D-GlcN) and N-acetyl-D-β-glucosamine (GlcNAc) are significant in several biological systems. D-GlcN has been used widely to treat osteoarthritis in humans and animal models as well as GlcNAc has been proposed as a treatment for autoimmune diseases. The DFT/B3LYP/6–311++G (d,p) method as well as QTAIM and NBO analyses were used to the acidity values of D-GlcN and GlcNAc sugars and their complexes with alkali ions in the gas phase. The Li+, Na+ and K+ prefer bi-dentate chelate in these complexes. The computed results indicate that metal ion affinity (MIA) in GlcNAc is higher than that in D-GlcN. There are direct correlations between the MIA... 

    Aortic dissection is determined by specific shape and hemodynamic interactions

    , Article Annals of Biomedical Engineering ; Volume 50, Issue 12 , 2022 , Pages 1771-1786 ; 00906964 (ISSN) Williams, J. G ; Marlevi, D ; Bruse, J. L ; Nezami, F. R ; Moradi, H ; Fortunato, R. N ; Maiti, S ; Billaud, M ; Edelman, E. R ; Gleason, T. G ; Sharif University of Technology
    Springer  2022
    Abstract
    The aim of this study was to determine whether specific three-dimensional aortic shape features, extracted via statistical shape analysis (SSA), correlate with the development of thoracic ascending aortic dissection (TAAD) risk and associated aortic hemodynamics. Thirty-one patients followed prospectively with ascending thoracic aortic aneurysm (ATAA), who either did (12 patients) or did not (19 patients) develop TAAD, were included in the study, with aortic arch geometries extracted from computed tomographic angiography (CTA) imaging. Arch geometries were analyzed with SSA, and unsupervised and supervised (linked to dissection outcome) shape features were extracted with principal component... 

    Differential pulse voltammetric determination of N-acetylcysteine by the electrocatalytic oxidation at the surface of carbon nanotube-paste electrode modified with cobalt salophen complexes

    , Article Sensors and Actuators, B: Chemical ; Volume 133, Issue 2 , 12 August , 2008 , Pages 599-606 ; 09254005 (ISSN) Shahrokhian, S ; Kamalzadeh, Z ; Bezaatpour, A ; Boghaei, D. M ; Sharif University of Technology
    2008
    Abstract
    The preparation and electrochemical performance of the carbon nanotube-paste electrode modified with salophen complexes of cobalt(III) perchlorate, with various substituents on the salophen ligand, as well as their electrocatalytic activity toward the oxidation of N-acetylcysteine (NAC) is investigated. Several Schiff base complexes containing various nucleophilic and electrophilic functional groups were prepared, and their electrochemical characteristics for the electro-oxidation of NAC were evaluated using cyclic and differential pulse voltammetry (CV and DPV). The results revealed, the modified electrodes show an efficient and selective electrocatalytic activity toward the anodic... 

    Association of glomerular and tubular dysfunction with glycaemic control, lipid, lipoprotein, apolipoprotein and antioxidant status in type 2 diabetes mellitus

    , Article Singapore Medical Journal ; Volume 48, Issue 9 , 2007 , Pages 840-846 ; 00375675 (ISSN) Farvid, M. S ; Djalali, M ; Siassi, F ; Farvid, S. S ; Sharif University of Technology
    Singapore Medical Association  2007
    Abstract
    Introduction: This study was conducted to investigate the relationship of glomerular and tubular dysfunctions with glycaemic control, lipid, lipoprotein, apolipoproteins and antioxidant status in 72 patients with type 2 diabetes mellitus. Methods: Urine albumin concentration was measured by immunoturbidimetric and urine N-acetyl-beta-D-glucosaminidase (NAG) and alanine aminopeptidase (AAP) activities with colorimetric methods. Glycated haemoglobin was measured using affinity chromatography. Erythrocyte glu ta thione reductase and glutathione peroxidase activities and serum levels of malondialdehyde, lipids, lipoproteins and apolipoproteins were determined in patients with type 2 diabetes...