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Öğe Experimental characterization and theoretical investigation of Zn/Sm co-doped hydroxyapatites(Elsevier, 2022) Hssain, Ala Hamd; Bulut, Niyazi; Ateş, Tankut; Köytepe, Süleyman; Kuruçay, Ali; Kebiroğlu, Hanifi; Kaygılı, ÖmerIn this study, the wet chemical method was used to synthesize Zn-doped hydroxyapatite (HAp) samples, and the effects of varying the amount of Sm addition on structural, thermal, and biocompatibility in vitro properties were studied. In addition, a density functional theory was used for modeling the as-synthesized samples to obtain the theoretical calculation results. XRD results confirmed the formation of biphasic compositions for all samples, and FTIR data supported the formation of the functional groups of hydroxyl and phosphate. More than 98% of samples showed the formation of the HAp phase. The addition of Sm resulted in an increase in the secondary phase of the ?-TCP from 0.60% to 1.49%. The lattice parameters (aandc),unit cell volume (V), lattice strain(?), and lattice stress? varied when Sm was added as a dopant. The crystallite size and crystallinity decreased as the Sm content increased, however, the anisotropic energy density gradually increased. Thermal analysis results confirmed that all samples seemed to be thermally stable. The addition of Sm did not result in any notable morphological modifications. Cell viability values of theZn-based HAp sharply decreased as a result of an increase in the Sm additive. Theoretical studies show that when the amount of Sm in the Zn-based HAp structure increases, the bandgap energy decreases from 4.68 to 4.40eV. An increasing density and decreasing unit cell volume have been observed, as confirmed by the theoretical results. In addition, there was a decrease in crystallinity as well as an increase in anisotropic energy density.Öğe Structural, spectroscopic, dielectric, and magnetic properties of Fe/Cu co-doped hydroxyapatites prepared by a wet-chemical method(Elsevier, 2022) Ercan, İsmail; Kaygılı, Ömer; Kayed, Tarek; Bulut, Niyazi; Tombuloğlu, Hüseyin; İnce, Turan; Al Ahmari, Fatımah; Kebiroğlu, Hanifi; Ateş, Tankut; Almofleh, Atheel; Fırdolaş, Fatih; Köysal, Oğuz; Al-Suhaimi, Ebtesam Abdullah; Ghrib, Taher; Sözeri, Hüseyin; Yıldız, Mesut; Ercan, Filiz; Ateş, TankutIn this study, the effects of Cu and Fe additives on the structural, dielectric, magnetic, thermal and morphology of hydroxyapatite (HAp) samples were investigated and reported in detail for the first time. The prepared systems were also modeled and examined theoretically. It can be said that both additives affect the thermal behavior of the HAp structure. The addition of Cu affected the morphology of submicron-sized particles with spherical-like shapes with a low degree of agglomeration. Diffuse reflection data revealed that the energy band gap values decreased as Cu was added to the Fe-based HAp structure. The dielectric constant (??) had high values at low frequencies in all samples and decreased with increasing frequency. It could be concluded that Fe/Cu incorporation to hydroxyapatites enhanced its thermal, magnetic, and dielectric properties required for mimicking natural HAps to open a successful venue for medical application in the healing regeneration of bone.Öğe Theoretical and experimental characterization of Sn‑based hydroxyapatites doped with Bi(Springer Nature, 2022) Korkmaz, A. Aksoğan; Ahmed, Lana Omar; Kareem, Rebaz Obaid; Kebiroğlu, Hanifi; Ateş, Tankut; Bulut, Niyazi; Kaygılı, Ömer; Ateş, BurhanThis is the first report, including both theoretical and experimental results, on Bi and Sn co-doped hydroxyapatite (HAp) structures. Sn content was kept at a constant amount of 0.22 at.%, and Bi content was changed from 0 to 0.44 at.% by using the steps of 0.11at.%. Theoretical results from density functional theory (DFT) calculations revealed an increase in density from 3.154 g cm?3 to 3.179 g cm?3, as well as gradual decreases in the bandgap from 4.5993 eV to 4.4288 eV and the linear absorption coefficient. The spectroscopic data obtained from both Raman and Fourier transform infrared (FTIR) spectra confirmed the HAp structure for all the samples. The thermal behavior and morphology, as well as all X-ray diffraction (XRD) related parameters, were all considerably impacted by Bi-content. In vitro assays showed that all the samples can be accepted as the biocompatible materials












