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Browsing Ph.D. Theses by Author

Browsing Ph.D. Theses by Author "Aviyente, Viktorya."

Now showing items 1-15 of 15

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 ...
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 ...
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 ...
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, ...
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 ...
Investigation of the deamidation reaction in the enzyme triosephosphate isomerase by means of computational chemistry tools

Uğur, İlke. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2014., 2014.)

Deamidation is the posttranslational modi cation of asparagine (Asn) and glutamine (Gln) residues, which is observed in several proteins and peptides. It has been shown that deamidation limits the lifetime of these ...
Modeling the selectivity in pericyclic reactions

Ölçüm, Nihan Çelebi. (Thesis (Ph.D.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2009., 2009.)

Pericyclic reactions are very powerful and widely utilized transformations to obtain complex molecules. The selective versions have received remarkable interest and have found extensive use in synthetic organic chemistry ...
Modeling the selectivity, catalytic and binding effects in organic reactions and protein environment

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

In this dissertation, quantum chemical tools, in particular density functional methods are used to address problems related with the selectivity, catalytic and binding effects in different fields of chemistry, such as ...
Modeling the solvent effect, kinetics, morphology and catalysis in polymerization reactions

Özaltın, Tuğba. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2016., 2016.)

In this dissertation, quantum chemical tools, in particular density functional theory (DFT), molecular dynamics (MD) and coarse-grained (CG) simulations are used to address the solvent e ect, kinetics, morphology and ...
Role of ionic liquids on the reactivity and selectivity of diels- alder reactions and single site catalysts

Akgül, Deniz. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2022., 2022)

Ionic liquids (ILs) have gained interest because of their features such as high thermal stability, high chemical inertness, conductivity, their ability to dissolve organic and inorganic substances. It is possible to tune ...
Synthesis, evlatuation of functional methacrylates and a computational approach to the reactions of molecules with biological potential

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

In this dissertation, experimental and computational methods are used to in vestigate the molecules which are biologically active and have potential in pharma ceutical ﬁeld. This study sheds light on the synthesis procedures ...

Browsing Ph.D. Theses by Author "Aviyente, Viktorya."

Browsing Ph.D. Theses by Author "Aviyente, Viktorya."

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