Calcium Carbonate Binding of Perlucin by Molecular Modeling Supported by Atomic Force Microscopic Measurements

珍珠层是一种非脆性、纤维增强、耐腐蚀的陶瓷，由生物体在环境条件下合成。在这种聚合物/矿物复合材料中，几丁质形成框架，不同的蛋白质控制矿物生长。参与碳酸钙晶体成核和生长的这些蛋白质之一是perlucin。在这里，我们将集中在上述蛋白质和矿物质组分的分子相互作用。Perlucin将被用作测试有机分子与小离子晶体的相互作用是否导致碳酸钙晶体的受控生长的模型。天然和重组perlucin及其片段将被用来调查他们与方解石和文石的原子力显微镜（AFM）的相互作用。微观晶体将在一种新的结晶装置中生长。所得的晶体形态将与不同的方法，如原子力显微镜和透射电子显微镜在几个尺度上进行研究。计算模拟将为潜在的分子机制增加一种理论方法。分子和计算生物学以及实验生物物理学的实验和理论工作预计将相互促进。因此，我们期待对生物分子结构形成的理解，这是合成新功能材料的基础。

Nacre is a non-brittle, fiber-reinforced, corrosion resistant ceramic synthesized by organisms at ambient conditions. In this polymer/mineral-composite chitin forms a framework and different proteins control mineral growth. One of these proteins involved in nucleation and growth of calcium carbonate crystals is perlucin. Here we will focus on the molecular interactions of aforesaid proteins and mineral components. Perlucin will be used as a model to test if interaction of organic molecules with small ionic crystals leads to controlled growth of calcium carbonate crystals. Native and recombinant perlucin and its fragments will be used to investigate their interaction with calcite and aragonite by atomic force microscopy (AFM). Microscopic crystals will be grown in a new crystallisation device. The resulting crystal morphology will be investigated with different methods like AFM and transmission electron microscopy on several scales. Computational simulations will add a theoretical approach to the underlying molecular mechanisms. Experimental and theoretical work in molecular and computational biology as well as experimental biophysics is expected to be cross-fertilising. Consequently we anticipate comprehension of biomolecular structure formation which is the fundament for the synthesis of new functional materials.