Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Citation - WoS: 1Citation - Scopus: 1Structural and Functional Tuning of ZIF-8 Nanoparticles Via Zinc Salt Variation and Ligand Ratio for Enhanced Drug Delivery(Springer, 2025) Mete, Derya; Sanli-Mohamed, GulsahThe clinical application of doxorubicin (DOX), a widely used chemotherapeutic agent, is limited by systemic toxicity, rapid clearance, and the development of multidrug resistance. Metal-organic frameworks (MOFs), particularly zeolitic imidazolate frameworks (ZIFs), have emerged as promising nanocarriers to overcome these limitations due to their high drug-loading capacity, pH-responsive release profiles, and favorable biocompatibility. Among them, ZIF-8 is especially attractive for its ability to selectively release drugs in acidic tumor microenvironments. However, the physicochemical and biological properties of ZIF-8 are highly sensitive to synthesis parameters, particularly the choice of zinc salt precursor and the Zn2+:ligand molar ratio. In this study, we systematically investigated the effects of four zinc salts (zinc nitrate, zinc acetate, zinc chloride, and zinc bromide) and three Zn2+:2-methylimidazole molar ratios (1:35, 1:70, and 1:200) on the synthesis, drug-loading efficiency, release behavior, and anticancer activity of DOX-loaded ZIF-8 (DOX@ZIF-8) nanoparticles. The resulting nanocarriers were characterized using scanning electron microscopy (SEM), dynamic light scattering (DLS), energy-dispersive X-ray spectroscopy (EDX), inductively coupled plasma optical emission spectroscopy (ICP-OES), thermogravimetric analysis (TGA), and Brunauer-Emmett-Teller (BET) surface area analysis. pH-responsive DOX release was evaluated under physiological (pH 7.4) and acidic (pH 5.0) conditions. Cytotoxicity was assessed in A549 lung cancer cells via the MTT assay. Additionally, in vitro time-lapse live-cell imaging and wound healing assays were conducted to evaluate intracellular drug uptake and cellular responses. Our findings highlight the critical influence of zinc salt selection and ligand ratio on the structure-property-function relationships of ZIF-8, providing valuable insights for the rational design of MOF-based nanocarriers in targeted cancer therapy.Article Citation - WoS: 6Citation - Scopus: 6Investigation of Interactions of Doxorubicin With Purine Nucleobases by Molecular Modeling(Springer, 2022) Akdeniz, Esra Şahin; Selçuki, CenkDoxorubicin, an anthracycline antibiotic with anti-tumor activity, is produced by the bacterium Streptomyces peucetius. The interactions between doxorubicin and genetic material and the details of the intercalation with DNA have been controversial issues. Thus, the interactions of doxorubicin with purine nucleobases were studied by quantum mechanical methods. Initially, conformer analyses of doxorubicin were performed with Spartan 08 software and 319 different conformers from 422 initial structures for doxorubicin were obtained. Geometry optimizations and frequency analyses were performed for each structure using density functional theory (DFT) at B3LYP/6-31G** level using Gaussian 09 software. The most stable 20 conformers of doxorubicin and tautomers of purine nucleobases were optimized again with ɷB97XD/6-31G** level and their interactions were also analyzed at the same level. The Discovery Studio 3.5 Visualizer was used to draw the initial and optimized structures of investigated geometries. The noncovalent interactions (NCIs) were visualized by calculating reduced density gradient (RDG) with Multiwfn program. The color-filled isosurfaces and RDG scatter maps of most stable interaction geometries were plotted by Visual Molecular Dynamics (VMD) software and Gnuplot 5.3 software, respectively. This study showed that adenine, guanine, and hypoxanthine nucleobases interact with doxorubicin by forming strong hydrogen bonds and π-π interactions. Considering the normal cellular conditions, the effect of solvent (water) on the interaction geometries were also analyzed and when compared to gas phase it was determined that the movements of the molecules were restricted and there was a minimal change between initial and optimized structures in the aqueous phase.