Browsing Kimya by Title

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  • 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 ...
  • Modelling the enantiomerization and atroposelectivity in thiohydantoin derivatives 
    Azizoğlu, İpek. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2022., 2022)
    Thiohydantoins have a wide range of pharmacological and biological properties. In the previous studies, nonracemic axially chiral thiohydantoins were synthesized and computational investigations have rationalized the ...
  • Modification of biopolyelectrolytes for bioadhesive applications 
    Çömert, Fatih. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2012., 2012.)
    Biomimetic research on the development of bioadhesives mimicing the adhesive proteins secreted by blue mussels have become very popular in the recent years. The most important feature of the adhesive proteins is that they ...
  • Modification of polypropylene by free radical grafting 
    Kaya, Gülizar. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2021., 2021.)
    Polypropylene (PP) market forms the second largest polymer business worldwide owing to its good mechanical properties, excellent chemical resistance and low-cost production. These attractive properties of PP are mainly ...
  • Molecular docking study for novel phosphodiesterase-IV inhibitors 
    Çifci, Gülşah. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2010., 2010.)
    In this study, a molecular docking process for different Phosphodiesterase4 inhibitors is carried out. In the molecular modeling field, the process of docking a ligand to a binding site consists in mimicing the natural ...
  • Molecular dynamics study of macromolecular motions and polypeptide helical stabilities in solution 
    Doruker, Pemra. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 1995., 1995.)
    Molecular dynamics simulations have been performed to investigate the relative importance of solvent effect and intramolecular conformational potentials on the properties of polymers in dilute solition. Bead-spring, ...
  • Molecular modeling of Bcl-xL post-translational modifications and of keteniminium salts 
    Tanrıver, Gamze. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2022., 2022)
    Computational chemistry plays an important role in deciphering the structural proper ties of systems by using different approaches, such as quantum mechanics (QM) and molecular mechanics (MM) and gives insight by mimicking ...
  • Montmorillonite and modified montmorillonite supported ZnO catalysts 
    Pekcan, Ayşe Hazal. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2015., 2015.)
    The purpose of this study is to prepare ZnO supported montmorillonite based catalysts by using co-precipitation technique. The photocatalytic activities of the as-prepared catalysts are studied for degradation/decolorization ...
  • Multifunctional monomeric and polymeric photoinitiators for free radical photopolymerization 
    Gençoğlu, Türkan. (Thesis (Ph.D.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2022., 2022)
    In this study, novel polymerizable, polymeric and branched photoinitiators (PIs) were synthesized to attain high polymerization efficiency, migration stability, visible light absorption and water solubility to address ...
  • Multifunctional nanogels via self - assembly of polymers 
    Aktan, Buğra. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2016., 2016.)
    Water soluble multifunctional nano structures are promising candidates as imaging agents for early and post-treatment diagnostics. In this thesis, design and synthesis of novel multifunctional nanogels have been achieved ...

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