Chemistry / Kimya
Permanent URI for this collectionhttps://hdl.handle.net/11147/4072
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Article Citation - WoS: 2Citation - Scopus: 2A Novel Approach Utilizing Rapid Thin-Film Microextraction Method for Salivary Metabolomics Studies in Lung Cancer Diagnosis(Elsevier, 2024) Pelit, Fusun; Erbas, Ilknur; Ozupek, Nazli Mert; Gul, Merve; Sakrak, Esra; Ocakoglu, Kasim; Goksel, Ozlem; Özdemir, DurmuşThis study investigated the potential of targeted salivary metabolomics as a convenient diagnostic tool for lung cancer (LC), utilizing a rapid TFME-based method. It specifically examines TFME blades modified with SiO2 nanoparticles, which were produced using a custom-made coating system. Validation of the metabolite biomarker analysis was performed by these blades using liquid chromatography-tandem mass spectroscopy (LCMS/MS). The extraction efficiencies of SiO2 nanoparticle/polyacrylonitrile (PAN) composite-coated blades were compared for 18 metabolites. Response surface methodology (RSM) was used to optimize the analysis conditions. Linear calibration plots were obtained for all metabolites at concentrations between 0.025 to 4.0 mu g/mL in the presence of internal standard, with correlation coefficients (R-2) ranging from 0.9975 to 0.9841. The limit of detection (LOD) and limit of quantitation (LOQ) were in the range of 0.014 to 0.97 mu g mL(-1) and 0.046 to 3.20 mu gmL(-1), respectively. The %RSD values for all analytes were within the acceptable range (less than 20 %) for the proposed method. The method was applied to the saliva samples of 40 patients with LC and 38 healthy controls. The efficacy of metabolites for LC diagnosis was determined by in silico methods and the results reveal that phenylalanine and purine metabolism metabolites (e.g., hypoxanthine) are of great importance for LC diagnosis. Furthermore, potentially significant biomarker analysis results from the ROC curve data reveal that proline, hypoxanthine, and phenylalanine were identified as potential biomarkers for LC diagnosis.Article Citation - WoS: 3Citation - Scopus: 41,2-Diboranes With Strong Donor Substitutes: Synthesis, Ovicidal and Larvicidal Effect on Important Vector Species(Elsevier, 2024) Bursali, Fatma; Sahin, Yueksel; Aygun, Muhittin; Sevincek, Resul; Biyik, H. Halil; Özgener, Hüseyin; Gurbuz, BurcinNovel control products are needed in the control of important insects like mosquitoes which are developing resistance to insecticides and larvicides currently in the market. Boron compounds have been demonstrated to exhibit antibacterial and anticancer effects. 1,2-diboranes with a long history and importance in boron chemistry have been described. These compounds are synthesized from reactions of 1,2-dichlordiborane derivatives with lidium amides (ArNHLi/Et2NLi, etc.). In addition to the three previously synthesized diborane compounds, five novel 1,2-diborane compounds were synthesized in good yield using the same method for the first time. The structures of the novel derivatives were characterized by nuclear magnetic resonance spectroscopy, and the molecular structure of one of them (2a) was also demonstrated using single crystal X-ray diffraction. In this preliminary study, the ovicidal and larvicidal effects of new 1,2-diamino-1,2-diborane derivatives against Aedes aegypti and Aedes albopictus eggs and larvae were investigated for the first time. Of these, 2a and 2e showed the highest ovicidal activity against both species, while 7, 4 and 2d showed particularly high larvicidal activity. Some 1,2-diborane derivatives were found to be significantly toxic, with LC50 values ranging from 14,930 to 27,975 mu g/mL. Some derivatives (6, 2a, 2c) were less effective against mosquito larvae. 1,2-Diborane derivatives have high ovicidal and larvicidal effects on mosquitoes and are therefore potential candidates for the development of new larvicides. Further studies are needed to evaluate its mode of action and safety. Understanding their mode of action against mosquito development is crucial to optimizing their use and reducing the potential development of resistance. Their potential effects on other mosquito species and non -target organisms need to be investigated.Article Citation - Scopus: 3Development of Chrono-Spectral Gold Nanoparticle Growth Based Plasmonic Biosensor Platform(Elsevier, 2024) Sözmen, Alper Baran; Elveren, Beste; Erdoğan, Duygu; Mezgil, Bahadır; Baştanlar, Yalın; Yıldız, Ümit Hakan; Arslan Yıldız, AhuPlasmonic sensor platforms are designed for rapid, label-free, and real-time detection and they excel as the next generation biosensors. However, current methods such as Surface Plasmon Resonance require expertise and well-equipped laboratory facilities. Simpler methods such as Localized Surface Plasmon Resonance (LSPR) overcome those limitations, though they lack sensitivity. Hence, sensitivity enhancement plays a crucial role in the future of plasmonic sensor platforms. Herein, a refractive index (RI) sensitivity enhancement methodology is reported utilizing growth of gold nanoparticles (GNPs) on solid support and it is backed up with artificial neural network (ANN) analysis. Sensor platform fabrication was initiated with GNP immobilization onto solid support; immobilized GNPs were then used as seeds for chrono-spectral growth, which was carried out using NH2OH at varied incubation times. The response to RI change of the platform was investigated with varied concentrations of sucrose and ethanol. The detection of bacteria E.coli BL21 was carried out for validation as a model microorganism and results showed that detection was possible at 102 CFU/ml. The data acquired by spectrophotometric measurements were analyzed by ANN and bacteria classification with percentage error rates near 0% was achieved. The proposed LSPR-based, label-free sensor application proved that the developed methodology promises utile sensitivity enhancement potential for similar sensor platforms. © 2024 The Author(s)Article Citation - WoS: 13Citation - Scopus: 13Design, Fabrication, and Application of Micro-Structured Surfaces for Laser-Induced Breakdown Spectroscopic Analysis of Liquids: a Sample-Loading Target Development Studies(Elsevier, 2024) Kaplan, Dilara; Aras, Nadir; Yalcin, SerifeIn this paper, design, fabrication, and application studies of a sample loading target patterned with periodical micro-structures were presented. Two different geometrical shapes; triangular prisms and cylinders of two different feature sizes; 5-mu m, and 20-mu m, were photo-lithographically patterned on Si-wafer substrates, and dry etched to 10 mu m height. Followed by a 1-mu m thick silicon nitride film coating over micro-patterned substrates, final products were obtained after dicing into one-inch size squares, each containing 36 patterned sample loading areas. Among the three different patterns studied; a geometric design with 20-mu m diameter cylinders exhibited a more effective task in increasing the LIBS signal strength, compared to the other two patterns. The characterization of the surface morphology and the size-shape distribution of the micro-patterns were carried out through optical and scanning electron microscopic measurements. SEM images proved a more effective ablation occur-ring on triangular prism micro-structured surfaces that can be associated with an increased path length and enhanced absorption of the laser beam on the flat surfaces of triangular prism via multiple reflections. The results of structured surfaces were also compared with the ones from non-structured surfaces of 300 nm and 1000 nm thicknesses of silicon nitride-coating. The applications of micro-structured surfaces for heavy metals analysis were performed with Cr and Pb solutions via dried-droplet LIBS methodology. The enhancement factor of 4 for Pb(I) 405.8 nm, and 8 for Cr(I) 428.9 nm were observed from the 20-mu m diameter cylinder, CYL-20, surfaces compared to 300 nm thick Si3N4 surfaces, respectively. This study of micro-structuring substrate surfaces with an emphasis on the signal enhancement effect is promising in terms of improving the capacity and limitations of the dried-droplet methodology by LIBS.Article Citation - WoS: 9Citation - Scopus: 8Quantitative Determination of Phenolic Compounds in Propolis Samples From the Black Sea Region (türkiye) Based on Hptlc Images Using Partial Least Squares and Genetic Inverse Least Squares Methods(Elsevier, 2023) Güzelmeriç, Etil; Özdemir, Durmuş; Şen, Nisa Beril; Çelik, Cansel; Yeşilada, ErdemThe complex chemical composition of propolis is related to the plant source to be used by honeybees. Propolis type is defined based on the plant source with the highest proportion in its composition, which is determined by chromatographic techniques as high-performance thin-layer chromatography (HPTLC). In addition to marker component identification to specify the propolis type, quantification of its proportion is also significant for prediction and reproducible pharmacological activity. One drawback for propolis marker component quantita-tion is that during the chromatographical analysis, not the main but the other plant sources with less proportion may cause interferences during the chemical analysis. In this study, the amounts of marker components were compared with the reference analysis data obtained by high-performance liquid chromatography (HPLC) and from HPTLC images using Partial Least Squares (PLS) and Genetic Inverse Least Squares (GILS) regression methods. Firstly, HPTLC images of propolis samples were processed by an image algorithm (developed in MATLAB) where the bands of each standard and the samples were cut same dimensional pieces as 351 x 26 pixels in height and width, respectively. Simultaneously, reference analysis of the marker components in propolis samples was performed with a validated HPLC method. Consequently, the reference values obtained from HPLC versus PLS, and GILS predicted values of the eight compounds based on the digitized HPTLC images of the chromatograms were found to be matched successfully. The results of the multivariate calibration models demonstrated that HPTLC images could be used quantitatively for quality control of propolis used as a food supplement.Article Molecular Dynamics Simulation of Ssdna and Cationic Polythiophene(Elsevier, 2023) Nalıncı Bardak, Nehir; Kıbrıs, Erman; Demirci, Fethi Can; Elmacı Irmak, NuranIn this work, molecular dynamics simulations of complexes composed of single strand DNA (ssDNA) sequences and cationic oligothiophenes are performed to understand experimental findings and the sensing ability of polythiophene electrolytes toward ssDNA. The simulation results exhibit no significant structural effect for replacing the cationic amine moiety with imidazole derivative on the side group of the oligomer. Adding a homopurine strand elongates the oligomer backbone; on the contrary, mixing up the homopyrimidine strand causes compression. On the other hand, these ssDNAs do not notably affect the compactness of the oligomer backbones. The anion-cation interactions play an essential role in the structural and spectroscopic change of cationic polythiophenes (CPTs) upon complexation with ssDNAs. The red shift of CPTs in the UV-VIS spectra with the addition of homopurine strands might be explained by the strong anion-cation, weak pi -cation interactions, and high binding affinities. Nonpolar interactions (vdW and SA) and complex solvation energies dominate binding free energies. Hydrogen interaction analyses show that oligomers most likely approach the ssDNAs from their backbone upon complexation except for the duplex containing homopyrimidine strand and oligothiophene possessing imidazole derivative side chain.Article Citation - WoS: 4Citation - Scopus: 4Identification of a Magnetic Phase Via a Raman Spectrum in Single-Layer Mnse: an Ab Initio Study(Elsevier, 2022) Yayak, Yankı Öncü; Şahin, Hasan; Yağmurcukardeş, MehmetMotivated by the recent experimental realization of single-layer two-dimensional MnSe [ACS Nano2021, 15, 13794-13802], structural, magnetic, elastic, vibrational, and electronic properties of single-layer MnSe are investigated by using density functional theory-based calculations. Among four different magnetic phases, namely, ferromagnetic (FM) and Nẽel-, zigzag-, and stripy-antiferromagnetic (AFM) phases, the Nẽel-AFM structure is found to be the energetically most favorable phase. Structural optimizations show the formation of in-plane anisotropy within the structures of zigzag- and stripy-AFM phases in single-layer MnSe. For the dynamically stable four magnetic phases, predicted Raman spectra reveal that each phase exhibits distinctive vibrational features and can be distinguished from each other. In addition, the elastic constants indicate the mechanical stability of each magnetic phase in single-layer MnSe and reveal the soft nature of each phase. Moreover, electronic band dispersion calculations show the indirect band gap semiconducting nature with varying electronic band gap energies for all magnetic phases. Furthermore, the atomic orbital-based density of states reveals the existence of out-of-plane orbitals dominating the top valence states in zigzag- and stripy-AFM phases, giving rise to the localized states. The stability of different magnetic phases and their distinct vibrational and electronic properties make single-layer MnSe a promising candidate for nanoelectronic and spintronic applications.Article Citation - WoS: 13Citation - Scopus: 15Effect of Silicon Nitride Coating Thickness on Silicon Wafer Substrates for Signal Enhancement in Laser-Induced Breakdown Spectroscopic Analysis of Liquids(Elsevier, 2022) Kaplan, Dilara; Yalçın, Şerife HanımIt has been shown by previous studies of our group that the use of nitride-coated silicon wafer surfaces as a sample loading substrate in dried-droplet LIBS analysis provided enhancement in plasma emission signal and better detection limits compared to uncoated or oxide-coated silicon wafer surfaces. To further investigate the effect of coating thickness for enhanced sensitivity in dried nano-droplet analysis of liquids, silicon-wafer substrates of different nitride coating thicknesses; 75, 300, 450, and 1000 nm, were comparatively studied. With 75 nm silicon nitride coating, the thin-film effect due to the anti-reflective behavior of the silicon nitride film is observed, and plasma emission signal is enhanced up to three times compared to 300 nm coated substrates. With coating thicknesses of 450 nm and 1000 nm, on the other hand, thermophysical and mechanical properties of the silicon nitride material, like thermal conductivity and hardness, become more dominant factors, leading to higher emission signals for all the elements studied. With 1000 nm coating thickness, enhancement factors of 4.8, 6.4, and 3.7 were obtained for the elements of Pb, Cu, and Cr, respectively. Optimization of the experimental LIBS parameters was conducted, calibration curves were constructed, and analytical figures of merits were determined. Sub-picogram amounts absolute detection limits; 0.7 pg Pb, 0.6 pg Cr, and 0.4 pg Cu, in 500 nanoliter droplets were obtained from the slopes of the calibration curves. The nitride-coated substrates' analytical performance was tested using certified reference solutions, standard water, and real water samples. The materials and the methodology developed can be used for waste-water monitoring of environmental samples by LIBS.Article Citation - WoS: 8Citation - Scopus: 11The Effect of Protein Bsa on the Stability of Lipophilic Drug (docetaxel)-Loaded Polymeric Micelles(Elsevier, 2021) Polat, Hürriyet; Çevik Eren, Merve; Polat, MehmetPolymeric micelles are promising delivery vehicles for improving the efficacy of anticancer drugs and reducing their side effects. However, considering the binding ability of serum albumin, the possible interaction of micelles with the native plasma components in the bloodstream raises serious questions on micellar stability. The stability of barren or drug-loaded copolymeric micelles was investigated systematically in distilled water (DW) and simulated body fluid (SBF) solutions in the presence of a model protein. The copolymer was a Pluronic® series triblock copolymer (P-123), the drug was strongly lipophilic docetaxel (DOC) and the protein was Bovine Serum Albumin (BSA). The effect of such factors as BSA and DOC concentrations and the aging of the micellar solutions was studied. Both the barren and drug-loaded micelles were quite stable in blank DW and SBF solutions for long times up to 10 days. They lost integrity and showed no inclination to re-assemble when the BSA concentration reached a critical value, which was very close to the plasma Human Serum Albumin (HSA) concentration. The presence of DOC in the micellar cores could not prevent disintegration. The results illustrate clearly that ensuring the stability of polymeric micelles in blood plasma should be an important design factor in their use as drug carriers.Article Citation - WoS: 14Citation - Scopus: 16Bodipy-Based Organic Color Conversion Layers for Wleds(Elsevier, 2020) Yüce, Hürriyet; Güner, Tuğrul; Dartar, Suay; Kaya, Beraat Umur; Emrullahoğlu, Mustafa; Demir, Mustafa MuammerThe usage of organic dyes in phosphor conversion layer of WLED is an attractive approach since they have high molar extinction coefficient and photostability. Various types of organic pigments have been employed for this purpose such as BODIPY, perylene diimide, Rhodamine B, pyrene, Nile red, etc. Among those, BODIPY-based organic dyes appear to be promising candidate for white light generation. In this work, for the first time, red and green emitting BODIPY-based organic molecules have been used as colour conversion layer. These molecules were associated with PMMA in DMF solution and the resulting solution was subjected to electrospinning. Colorful electrospun mats were embedded into PDMS matrix and their free-standing PDMS composite films were used as color conversion layers over blue LED to produce white light such that CRI of 95 and CCT of 4200 K was achieved. These values show that BODIPY-based organic molecules containing fiber composites are promising candidates to be used as color conversion layers for white light applications.