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A computational approach the free radical polymerization of acrylates and methacrylates

Değirmenci, İsa. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2010., 2010.)

Free radical polymerization (FRP) is one of the most favorable chemical reactions employed in both industry- and laboratory-scale chemical productions, because it can convert a wide variety of vinyl monomers into high ...
A hybrid computational approach to the benzoin synthesis in different media

Topal, Kevser Göçmen. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2008., 2008.)

Benzoin derivatives are widely used in organic chemistry, mainly as starting materials in drug synthesis and photoinitiators in polymer chemistry, due to their bifunctionality, the presence of the asymmetric center, and ...
A theoretical investigation of solvent effect on the conformational equilibria of 2-substituted cyclohexanone ketal derivatives

Sağ-Erdem, Safiye. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 1995., 1995.)

The conformational equilibria of 6-substituted-1,4-dioxospiro-[4.5]decanes and 7substituted-1,5-dioxospiro [5.5]undecanes, relatively complex polar systems, with substituents X=-CH3, -F, -CI, -CN, -OH, -OCH3, -N02 have ...
Active and passive tumor targeting via micellar dendritic constructs

Sümer, Burcu. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2017., 2017.)

Among many other nanotherapeutics, polymeric micellar systems are emerging as a very important class of nano-pharmaceuticals due to their ability to improve pharmacokinetics and bio-distribution of chemotherapy drugs as ...
An investigation of the carbon-carbon bond rupture in fluoroethanes by RRKM theory

Aviyente, Viktorya. (Thesis (Ph.D.)- Bogazici University. Institute for Graduate Studies in Social Sciences, 1983., 1983.)

In this dissertation, the thermal decompositions of ethane, 1,1,2,2-tetrafl uoroethane, pentafl uoroethane and hexafl uoroethane have been subjected to a theoretical treatment i n terms of the quantum statistical RRKM ...
Analysis of the radical polymerizability of diallyl monomers

Tüzün, Nurcan Şenyurt. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2002., 2002.)

In this study, the radical cyclopolymerization mechanism of diallylamine and diallyl ether monomers and their derivatives has been investigated by computational modeling. The calculations were performed by the Density ...
Aromatic carboxamides as non-steroidal inhibitors of CYP17 for the treatment of prostate cancer

Köseoğlu, Ahmet. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2015., 2015.)

Cancer is the most common neoplasm of the prostate in developed countries. Since up to 80 % of Prostate Cancer (PCa) proliferation depends on androgens, most patients take hormone therapy as first choice of treatment. The ...
Assessing protein - ligand binding modes, novel drug skeleton candidates for PDE4B and conformational rearrangements of EF-TU in GTP hydrolysis with computational tools

Çifci, Gülşah. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2017., 2017.)

In the first part of this dissertation, computer-aided drug design approaches, structurebased methodologies such as docking, molecular dynamics simulations and Gibbs free energy calculations with Molecular Mechanics-Generalized ...
Asymmetric syntheses, ring opening and stereoselective reactions, absolute conformation and activation barrier determinations on axially chiral oxazolidine derivatives

Ordu, Öznur Demir. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2008., 2008.)

In this study, sterically hindered 5-methyl-3-(o-aryl)-2,4-oxazolidinediones, 5-methyl- 3-(o-iodophenyl)-2-thioxo-4-oxazolidinedione and 5,5-dimethyl-3-(o-aryl)-2,4- oxazolidinediones have been synthesized. Diastereomeric ...
Atroposelective synthesis and reactions of axially chiral thiohydantoins

Sarıgül, Sevgi. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2017., 2017.)

Nonracemic axially chiral thiohydantoins were synthesized atroposelectively by the reaction of ortho-arylisothiocyanates with amino acid ester salts in the presence of triethylamine (TEA). However, the synthesis of the ...
Axialy chiral n-(o-aryl)-2-thioxo-oxazolidine-4-one and rhodanine derivatives: enantiomeric separation and determination of racemization barriers

Yılmaz, Esra Müjde. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2008., 2008.)

In this study, sterically hindered 5,5-dimethyl-3-(o-aryl)-2-thioxo-4-oxazolidinones, 5,5-dimethyl-3-(o-aryl)-2-thioxo-4-thiazolidinones and 3-(o-aryl)-2-thioxo-4- thiazolidinones(rhodanines) have been synthesized as ...
Barriers to enantiomerization of 1-(o-ARYL) barbituric and -2-thiobarbituric acid derivaties

Oğuz, Semin Funda. (Thesis (Ph.D.) - Bogazici University. Institue for Graduate Studies in Science and Engineering, 2002., 2002.)

In this study, 5,5-dimethyl-1-(0-aryl)barbituricI, 1-(0-ary1)barbituric and 1-(0-aryi)- 2-thiobarbituric acids have been synthesized by the reaction of the o-arylureas or the oaryl- 2-thioureas with the diethylmalonate or ...
(BIS) phosphonate functionalized polymeric materials for biomedical applications

Altuncu, Merve Seçkin. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2022., 2022)

This work describes synthesis, characterization, and evaluation of (bis)phosphonate functionalized monomers, macromers and crosslinkers as well as their polymers and crosslinked networks for biomedical applications such ...
Chain extension reactions of unsaturated polyesters using difunctional molecules

Taylan, Ediz. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2011., 2011.)

In this study the effectiveness of various chain extenders in increasing the molecular weight of unsaturated polyesters was investigated. For this purpose eight different chain extenders (with di or multi-functionalities) ...
Chemical characterization of lipid residues in neolithic and chalcolithic pottery from Anatolia

Bıyık, Ayla Türkekul. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2009., 2009.)

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Computational approaches to assess the binding properties of ligands :|the case of the NMDA receptor

Haşlak, Zeynep Pınar. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2019., 2019.)

One of the important issues in drug design is the identification of the biological activity of receptor ligands. Development, synthesis and activity measurements of ligands have a major importance in drug design. However, ...
Conformational analysis of 2-substituted cyclohexanone ketal derivatives by molecular mechanics and nuclear magnetic resonance

Varnalı, Tereza. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 1986., 1986.)

The present study is concerned with the application of the Molecular Mechanics Method to 2-substituted cyclohexanoneketals. The object is to find the conformational free energy difference between the equilibrating conformers ...
Design and fabrication of novel reactive hydrogels for delivery of therapeutic agents and biomolecular immobilization

Chambre, Laura. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2018., 2018.)

Polymers have been widely used for the past decades as drug delivery systems owing to their attractive physical, chemical and mechanical properties. In this thesis, nanosized drug delivery systems were developed for the ...
Elucidation of the deamidation mechanism of asparaginyl residues in peptides and proteins

Çatak, Şaron. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2008., 2008.)

Demidation of proteins is a topic of wide interest that has been subject to experimental and theoretical studies. Deamidation is a nonenzymatic and spontaneous process that converta asparagine conformational changes in ...
Experimental and computational investigation of structure- reactivity relationship of methacrylates

Karahan, Özlem. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2012., 2012.)

In the first part of this work, a series of alkyl α-hydroxymethacrylates (RHMA) were synthesized and computationally modeled in order to understand the structure-reactivity relationships in their polymerizations. Several ...

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