在矿物表面对氨酸突变SNa15结构的固态NMR和MD研究
Erika L Buckle1, Arushi Prakash2, Massimiliano Bonomi3
1Department of Chemistry , University of Washington , Box 351700, Seattle , Washington 98195 , United States.
Journal of the American Chemical Society
|January 9, 2019
概括
这项研究揭示了氨酸衍生的 (SNa15) 如何在不同的矿物表面上改变其结构. SNa15在酸和上形成一个α螺旋,但在上解开,影响生物材料设计.
科学领域:
- 生物矿物化
- 表面化学
- 生物材料科学
背景情况:
- 了解蛋白质-矿物相互作用对于生物矿物化和生物材料设计至关重要.
- 它是生物硬组织形成的关键蛋白质.
- SNa15是来自斯坦的酸 (HAP) 结合域的.
研究的目的:
- 研究SNa15在HAP, (SiO2) 和 (TiO2) 表面的吸附和结构变化.
- 确定SNa15在各种矿物界面上的结合亲和力和构造性行为.
- 为生物材料应用提供高分辨率的蛋白质表面相互作用见解.
主要方法:
- 固态核磁共振 (NMR) 光谱 (1D 13C CP MAS, 1D 15N CP MAS, 2D 13C-13C DARR) 的使用.
- 对结合亲和力的同热度测量.
- 分子动力学模拟和计算工具 (TALOS-N) 用于结构分析.
主要成果:
- 在HAP和TiO2表面上采用阿尔法螺旋结构.
- 在吸附到SiO2表面时,SNa15的α螺旋在很大程度上解开.
- 通过酸性和基本性氨基酸进行相互作用,具体的残留物因表面而异.
结论:
- SNa15的形状变化在很大程度上取决于矿物表面的化学成分.
- 这项研究提供了对矿相互作用的高分辨率理解.
- 这些发现对设计先进的医疗植入物,牙科材料和色谱支具有重要意义.
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