Fen Fakültesi
https://hdl.handle.net/11655/1
Faculty of Science2024-03-28T16:02:23ZFarklı Perovskit Güneş Gözelerinin Verimliliğinin Simülasyonu ve Karşılaştırması
https://hdl.handle.net/11655/34419
Farklı Perovskit Güneş Gözelerinin Verimliliğinin Simülasyonu ve Karşılaştırması
Dereli, Yağız
Perovskite solar cells have become the focus of interest in research for the development of solar cells due to their high efficiency, low cost, and adjustable structures. The perovskite solar cells have been the fastest-growing solar technology in terms of efficiency, which has been rapidly increased from 3.8% (reported in year 2009 for the first time) to 25.8% reported in 2023 as the recent measured value.
Systems using silicon-based solar cells, known as traditional solar panels, are the only commercialized solar panel technology today. Although perovskite solar cells have not yet been commercialized, they have a high potential to replace conventional solar panels in the future. In order to reach this potential as quickly as possible, perovskite materials, which have a wide variety, need to be researched by simulation studies as well as laboratory researches.
In this study, the behavior of three different perovskite materials, MAPbI3, MAPbBr3, and Cs2AgBiBr6 in an architecture determined from the literature was simulated with the help of OghmaNano (GPVDM) software. It was first studied at a temperature of 27 ºC which is the software default, and at different thicknesses between 100 and 700 nm. Then, based on the optimum thickness values obtained for each perovskite material, the efficiency values obtained by examining different temperatures between -10 and 70 ºC.
2023-08-07T00:00:00ZMoleküler Modelleme Yöntemleri ile Organik Yarı İletkenlerin Bant Aralıklarının İncelenmesi ve Bilgisayar Destekli İlaç Tasarımı
https://hdl.handle.net/11655/34414
Moleküler Modelleme Yöntemleri ile Organik Yarı İletkenlerin Bant Aralıklarının İncelenmesi ve Bilgisayar Destekli İlaç Tasarımı
Seyitdanlıoğlu, Pınar
Molecular modeling is all the theoretical and computerized methods used to model, study or simulate the behavior of molecular systems. These methods are mainly used to provide theoretical predictions for a molecular system, to explain the experimental results of a molecular system, and to examine the properties of macromolecular and complex structures. Today, the use of molecular modeling methods in materials science and drug design has become a necessity, and the efficient use of these methods before starting the experiment phase is important for the correct management of resources.
This thesis consists of six studies divided into three parts. In the first part, semiconductor polymers were designed using molecular modeling methods and their structure-conductivity relationships were examined. In the first study in this part, alkyl substituted pyrrole-benzothiadiazole-pyrrole based conductive polymers were designed and their
structural conductivity properties were investigated with theoretical approaches. In the second study, Donor-acceptor type polymers were designed using thieno[3,4-b]pyrazine, thieno[3,4-b]quinoxaline, 2H-pyrrolo[3,4-b]quinoxaline, 6H-pyrrolo[3,4-b]pyrazine donors and benzo[c][1,2,5]thiadiazole, naphtho[2,3-c][1,2,5]thiadiazole acceptors.
In the second part, some small molecule semiconductors have been designed for photovoltaic applications and the photovoltaic properties of small molecule semiconductors having energy transfer properties were investigated. In the first study in this part, a donor-acceptor-donor type semiconductor small molecule design using thiophene donors, phthalimide, benzimidazole and benzotriazole acceptors was made and its photovoltaic properties were investigated. In the second study in this part, photovoltaic properties of synthesized porphyrin-BODIPY diads with energy transfer properties were investigated.
In the last part of the study, computer aided drug design was studied. In this context, the properties of two different biochemical systems were evaluated. In the first study, the efficacy of some synthesized indole, benzimidazole and benzotriazole-based ketonic compounds in the treatment of Alzheimer's disease were investigated. In the second study of this part, the interactions of indole-based compounds with the target protein 𝛼��������-glucosidase in the treatment of diabetes were investigated.
TÜBİTAK 2211 Yurt İçi Lisansüstü Burs Programı (TÜBİTAK 2228-B Yüksek Lisans Öğrencileri için Doktora Burs Programı)
2023-01-01T00:00:00ZBölgeye Özgü Bölgeye Özgü Glikolizasyon Analizlerinde Kullanılan Çarpışmalı Fragmantasyon Tekniklerinin Glikopeptit Tanımlama Performanslarının Kıyaslanması
https://hdl.handle.net/11655/34373
Bölgeye Özgü Bölgeye Özgü Glikolizasyon Analizlerinde Kullanılan Çarpışmalı Fragmantasyon Tekniklerinin Glikopeptit Tanımlama Performanslarının Kıyaslanması
Baltacı, Sema
Glycosylation is one of the most important post translational modifications of proteins and is involved in all kinds of biological and physiological processes. In order to have information about the identity of the glycoprotein, information about the peptide sequence, glycosylation site, and glycan structure must be generated. Tandem Mass Spectrometry (MS/MS) is widely used for the analysis of glycopeptides. Collision-Induced Dissociation (CID), one of the fragmentation methods, works in harmony with the Quadrupole-Time-of-Flight Mass Spectrometry (QTOF-MS) instrument. Higher-Energy C-trap Dissociation (HCD) method works with the Quadrupole Orbitrap (Q-Exactive Plus) instrument. Also, the very similar technique of HCD and CID, generate primarily b- and y-ions from peptide precursor ions, as well as B-and Y-ions from glycans units. In recent years, to increase the efficiency of fragment ions Stepped Collision Induced Dissociation (sCID) and Stepped Higher‐energy C-trap Dissociation (sHCD) techniques have emerged. With these techniques, different energies are applied to obtain simultaneous information about both glycan and peptide fragments.
Within the scope of the thesis, glycopeptide identification performances of QTOF s(CID) (Stepped Collision Induced Dissociation) and Q-Exactive Plus s(HCD) (Stepped Higher‐energy C-trap Dissociation) systems were compared. These three different variants of haptoglobin (Hpt) protein called Hpt 1-1, Hpt 2-2 and Hpt-M were used in the thesis study. Each variant was analyzed in both QTOF s(CID) and Q-Exactive Plus s(HCD) systems in four replicates. The QTOF s(CID) system defined both more glycosylation sites and more glycopeptide numbers than the Q-Exactive Plus s(HCD) system. The Q-Exactive Plus s(HCD) system has a higher total average score than the QTOF s(CID) system.
2023-06-14T00:00:00ZDetermination of Molecular Traces of Various Snake Venomes Using Proteomics and Glycomic Approaches Based on Mass Spectrometry
https://hdl.handle.net/11655/34369
Determination of Molecular Traces of Various Snake Venomes Using Proteomics and Glycomic Approaches Based on Mass Spectrometry
Abu Aisheh, Marwa
Viperidae snake species are distributed in a wide geographical region in Turkey. Specific proteome and glycoproteome composition profiles provide comprehensive information to study the venom’s biological function and taxonomical classification. In this context, we used proteomics, glycoproteomics, and glycomics strategies to characterize proteins present in the proteome and glycoproteome of five venoms belonging to the Viperidae family. The finding showed a distinct composition for each venom, particularly the glycoproteome profile. The overall mass spectrometry profiles identified 144 different proteins, 36 glycoproteins and 78 distinct N-glycan structures varying in composition across the five venoms. The glycoprotein composition data obtained from glycoproteomics aligns consistently with the findings from glycomics. Many the identified proteins across the five venoms belong to glycosylated protein families, snake venom serine protease (SVSP), snake venom metalloprotease (SVMP), and C-type lectins (CTL). The clustering and principal component analyses (PCA) illustrated the composition-based similarities and differences between venom proteome, glycoproteome and glycan profiles. Specifically, the N-glycan profiles of M. xanthina (Mx) and V. a. ammodytes (Vaa) venoms were identical and difficult to differentiate; in contrast, their proteome profiles were distinct. Clustering analysis enabled the classification of venom species into different groups presenting their taxonomical classification. Interestingly, the variety of the proteins across venom species highlights the impact of glycosylation on the diversity of glycosylated protein in venom proteome. This proposed high throughput approach provides accurate and comprehensive profiles of the composition and function of various Viperidae snake venoms.
2023-11-01T00:00:00Z