Browsing Kimya by Title

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  • Micellar drug delivery platform from diblock copolymers 
    Kavak, Nehir. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2019., 2019.)
    The main role of chemotherapeutic agents is killing the fast growing cells. Thus, they damage fast growing helathy cells like bone marrow as well. This harm can be prevented by modifying the existing chemotherapeutic agents ...
  • Modeling cycloaddition reactions 
    Agopcan, Sesil. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2011., 2011.)
    In this study, the selectivities in two types of cycloaddition reactions, namely Diels- Alder and 1,3-dipolar cycloadditions are investigated. In the first part, the diastereoselectivity in the hydrogen bonding assisted ...
  • Modeling free radical polymerization: cyclization and chain transfer reactions 
    Uğur, İlke. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2009., 2009.)
    In this study, the free radical polymerization of different unsaturated compounds is investigated. In the first part entitled “Cyclopolymerization Reactions of Diallyl Monomers: Exploring Electronic and Steric Effects ...
  • Modeling organic reactivity and photophysical processes: DFT applications of aza-heterocyclic compounds and organic sensitizers 
    Boydaş, Esma Birsen. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2018., 2018.)
    This study is composed of two main components, involving Density Functional Theory investigations in terms of small organic reactions and organic dye-semiconductor systems. In the first part, ring-expansion reactions of ...
  • Modeling stereoselective reactions in solution 
    Yıldırım, Aslı. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2012., 2012.)
    In this study, ring-chain-ring tautomerization and asymmetric desymmetrization reactions are investigated by taking the solvent effect into account. In the first part, ring-chain-ring tautomerization mechanism is investigated ...
  • Modeling the catalytic effect of transition metal complexes in water oxidation and hetero-diels-alder reactions 
    Avcı, Öyküm Naz. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2019., 2019.)
    This dissertation is composed of two parts, the catalytic effect of transition metals on chemical reactions in the fields of inorganic and organic chemistry has been handled by utilizing Density Functional Theory. In the ...
  • Modeling the isomerization of lactones and the role of catalysts in Hetero-Diels-Alder reactions 
    Dereli, Büşra. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2013., 2013.)
    In this study, the isomerization of a strigolactone analogue and the catalyst effect on the hetero-Diels-Alder reactions is investigated by the quantum mechanical tools. In the first part, the interconversion of the ...
  • Modeling the photo-oxidative degradation mechanisms of thiophene in boron-containing oligothiophenes and the ignition reactions of hypergolic propellants 
    Kucur, Oğuzhan. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2019., 2019.)
    This dissertation, employs computational methods to investigate i) the photooxidative degradation mechanisms of thiophene in boron-containing oligothiophenes and ii) the ignition reactions of hypergolic propellants. In ...
  • Modeling the potential use of polyfluorinated phthalocyanines as photosensitizers in photodynamic therapy 
    Koca, Başak. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2019., 2019.)
    In recent years, phthalocyanine compounds which possess an aromatic macro cyclic ring, have been extensively used in photodynamic therapy as non-toxic photosen sitizers due to their photophysical properties and their intense ...
  • Modeling the propagation, chain transfer and tacticity in free radical polymerization 
    Furuncuoğlu, Tuğba. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2010., 2010.)
    In this study, the free radical polymerization of methyl methacrylate (MMA) and NIsopropylacrylamide (NIPAM) is investigated by using Density Funtional Theory (DFT). In the first part, the role of thiophenols as chain ...
  • 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 of Diels Alder reactions in various media 
    Bahadır, Gamze. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2016., 2016.)
    The goal of this research is to model and understand the Diels-Alder and 1,3- dipolar cyclo addition type of reactions in divergent media via two main reactions. In the rst part of this dissertation the exo/endo selectivity ...
  • 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 in free radical polymerization and deamidation of peptides 
    Doğan, Berna. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2012., 2012.)
    In the first part of this study, the kinetics free radical polymerization of ethyl methacrylate (EMA) and ethyl α-hydroxy methacrylate (EHMA) in solution is investigated; in the second part the deamidation in three different ...
  • 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 ...
  • Modeling the structure-reactivity relationship of acrylates 
    Değirmenci, İsa. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2005., 2005.)
    Photoinitiated polymerization of acrylates is one of the most common processes for therapid production of polymeric cross-linked materials with defined properties. Acrylicmonomers have different reactivity behavior during ...
  • Modelling of drug encapsulation using vesicles 
    Eltuğral, Nurettin. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2006., 2006.)
    Aggregates of surface-active molecules consisting of one or more bilayers arranged in a hollow, closed, usually spherical geometry are termed ‘‘vesicles’’. The objective of this study was modelling of drug encapsulation ...
  • Modelling of the binding of TRPV1 receptor to capsaicin, capsazepine and related agonists and antagonists 
    İnce, Büşra. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2019., 2019.)
    Capsaicin is a natural compound found in hot pepper and is an agonist of the receptor protein TRPV1 (Transient Receptor Potential Vanilloid) in dorsal root ganglia. TRPV1 is responsible for pain and heat perception. ...
  • Modelling pyrazine and tetrazine complex ions of iron by DFT 
    Ünan, Pınar. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2007., 2007.)
    In coordination chemistry, mixed valency is widespread, from superconductors to minerals, magnetic molecular clusters and even enzymes. Mixed valency occurs when the same chemical element is found in two different oxidation ...
  • Modelling the competing pathways in the free radical polymerization of acrylates 
    İnçmen, Mihriban. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2007., 2007.)
    The size of the a-substituent is expected to play a role in the propagation reaction in free radical polymerization. The possibility of the approach of the propagating radical to the monomer can be reduced due to the ...

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