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Öğe Investigation of the effects of quercetin on the structure and properties of zinc-modified hydroxyapatites(Univ Novi Sad, Fac Technology, 2026) Keser, Serhat; Kaya, Semih; Barzinjy, Azeez A.; Mahmood, Bahroz Kareem; Kareem, Rebaz Obaid; Temuz, Mehmet Mursit; Bulut, NiyaziIn this study, hydroxyapatite (HAp) samples, co-doped with 0.44 at.% of zinc and different amount of quercetin (Zn/Que-HAp), were synthesised using a wet-chemical method and calcined at 900 degrees C. XRD shows HAp as the primary phase with minor beta-TCP. Compared to the Zn-doped sample without quercetin (Q1), quercetin co-doping induces clear structural changes (shifts of lattice parameters a from-0.0017 to +0.0006 nm and c from-0.0026 to-0.0005 nm), accompanied by changes in crystallinity (from-3.6% to +2.5%) and crystallite size (from-3.5 to +0.6 nm), evidencing a distinct co-doping effect. DTA/TGA reveal reduced total mass loss for the Que-containing compositions relative to the Zn-doped sample, indicating enhanced thermal stability of the co-doped lattice. SEM reveals granular morphologies with interconnected porosity, while EDX yields (Ca+Zn)/P ratios greater than 1.67, consistent with Ca-sufficient apatite and modified defect chemistry. DFT calculations resolve the site-specific effects of Zn substitution and predict a preference for perturbation at Ca2 sites. The electronic density of states retains a wide-gap, insulating character, with localised states sensitive to the dopant configuration. By correlating experiment and theory, we demonstrate that the organic-inorganic co-dopant pair offers an effective means to tune lattice metrics, phase balance, and thermal response without compromising the intrinsic insulating nature of HAp.Öğe Investigation of the Structural, Thermal, Spectroscopic, and Electronic Properties of Praseodymium-based Hydroxyapatites Co-doped with Silver and Zinc in Varying Concentrations(Budapest Univ Technology Economics, 2025) Kareem, Rebaz Obaid; Ates, Tankut; Barzinjy, Azeez A.; Temuz, Mehmet Mursit; Ince, Turan; Bulut, Niyazi; Kaygili, OmerThis study investigates the crystal structure, energy gap, band structure, spectroscopy, thermal, and electrical properties of Pr3+-based hydroxyapatites (HAp) co-doped with Zn2+ and Ag+ in varying concentrations. The synthesized samples, designated as 0.25Zn-0.25PrHAp, 0.50Zn-0.25Pr-HAp, 0.75Zn-0.25Pr-HAp, 0.25Ag-0.25Pr-HAp, 0.50Ag-0.25Pr-HAp, and 0.75Ag-0.25Pr-HAp, were prepared using a wet chemical method. The materials were characterized by Fourier-transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), differential thermal analysis (DTA), and thermogravimetric analysis (TGA). Additionally, theoretical calculations employing density functional theory (DFT) were conducted to analyze the band structure (BS), energy gap (Eg; EHOM & oacute;ELUMO), and density of states (DOS). Results revealed a progressive reduction in the bandgap with increasing dopant concentrations, particularly in Ag-doped samples. Notably, 0.75Ag-0.25Pr-HAp exhibited the smallest bandgap of 3.983 eV, indicating enhanced electronic conductivity and potential applications in bioelectronics and medical sensors. Furthermore, the co-doped samples demonstrated reduced crystallinity, larger crystallite sizes, and excellent stability in biological environments, alongside superior biocompatibility and antibacterial properties. Among the synthesized materials, 0.75Ag-0.25Pr-HAp exhibited promising characteristics as a biomedical material for bone-related applications, owing to its structural stability, enhanced electrical properties, and suitability in antibacterial and bioelectronic devices. This investigation highlights the versatility of Zn/Ag co-doped Pr-HAp materials for advanced biomedical and technological applications.












