Rabadjieva Diana, Gergulova Rumiana, Sezanova Kostadinka, Kovacheva Daniela, Titorenkova Rositsa
Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Acad. G. Bonchev Str., bl. 11, 1113 Sofia, Bulgaria.
Institute of Mineralogy and Crystallography, Bulgarian Academy of Sciences, Acad. G. Bonchev Str., bl. 107, 1113 Sofia, Bulgaria.
Materials (Basel). 2023 Oct 11;16(20):6638. doi: 10.3390/ma16206638.
The preparation of specially doped calcium phosphates (CaPs) is receiving a great deal of attention from researchers due to CaPs' enhanced capabilities for application in medicine. Complexation and precipitation in a complicated electrolyte system including simulated body fluids that are enriched with Mg and Zn ions and modified with glycine, alanine and valine were first evaluated using a thermodynamic equilibrium model. The influence of the type and concentration of amino acid on the incorporation degree of Mg and Zn into the solid phases was predicted. Experimental studies, designed on the basis of thermodynamic calculations, confirmed the predictions. Amorphous calcium phosphates double-doped with Mg and Zn were biomimetically precipitated and transformed into Mg, Zn-β-tricalcium phosphates (TCP) upon calcination. The Rietveld refinement confirmed that Mg and Zn substituted Ca only at the octahedral sites of β-TCP, and in some cases, fully displacing the Ca from them. The resulting Mg, Zn-β-TCP can serve as a reservoir for Mg and Zn ions when included in the formulation of a biomaterial for bone remodeling. The research conducted reveals the effect of combining mathematical models with experimental studies to pre-evaluate the influence of various additives in the design of materials with predetermined properties.
由于磷酸钙（CaPs）在医学应用中的能力增强，特殊掺杂的磷酸钙的制备受到了研究人员的广泛关注。首先使用热力学平衡模型评估了在复杂电解质体系中的络合和沉淀情况，该体系包括富含镁离子和锌离子并经甘氨酸、丙氨酸和缬氨酸改性的模拟体液。预测了氨基酸的类型和浓度对镁和锌在固相中掺入程度的影响。基于热力学计算设计的实验研究证实了这些预测。双掺杂镁和锌的无定形磷酸钙通过仿生沉淀法制备，并在煅烧后转化为镁、锌-β-磷酸三钙（TCP）。Rietveld精修证实，镁和锌仅在β-TCP的八面体位置取代钙，在某些情况下，会完全取代其中的钙。当将所得的镁、锌-β-TCP包含在用于骨重塑的生物材料配方中时，它可以作为镁和锌离子的储存库。所进行的研究揭示了将数学模型与实验研究相结合，以预先评估各种添加剂对具有预定性能的材料设计的影响的效果。
