Quantitative features of osteo-bioactive Ti surfaces at the atomic/molecular level†

IF 6.1 3区 医学 Q1 MATERIALS SCIENCE, BIOMATERIALS
Fengxiong Luo, Dongxuan Li, Yu Yang, Jiajun Liu, Ruiqi Mao, Yawen Huang, Jian Lu, Xiangdong Zhu, Kefeng Wang, Yujiang Fan and Xingdong Zhang
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Abstract

The osteo-bioactive potential of biomaterials can be modulated by altering material properties such as chemical composition, surface topography, and geometry. The correlation between the physicochemical properties of biomaterials and their osteo-bioactivity is highly complex. As a material widely used in bone repair, the structure–activity/dose-effect relationship between titanium (Ti) surface features and osteo-bioactivity remains unclear. To quantitatively enhance the osteogenic activity of Ti, we employed femtosecond laser (FSL) technology to create Ti surfaces with gradient changes in bioactive (nucleation) sites. Based on the apatite deposition ability on the etched surfaces, the quantitative relationship between the osteo-bioactivity of Ti surfaces and their characteristic parameters was systematically explored. Concurrently, classical molecular dynamics (MD) simulations were utilized to investigate the aggregation behavior of calcium and phosphate ions on the Ti surfaces with different sites. The findings from mineralization experiments revealed that the type and density of bioactive sites could influence the deposition of apatite. It was further identified that TiO2 and Ti–OH are the crucial bioactive sites, with basic Ti–OH exhibiting superior efficacy as a bioactive site compared to its acidic counterpart. Moreover, the bioactive (nucleation) site densities should be maintained at a minimum of 2.33 ± 0.55 nm−2 for TiO2 and 2.50 ± 0.59 nm−2 for –OH, ensuring satisfactory osteo-bioactivity on the Ti surface. The results provide the atomic/molecular features of Ti surfaces that effectively foster apatite deposition and bioactivity, promoting the rapid progression of titanium-based bone repair materials.

Abstract Image

骨生物活性钛表面在原子/分子水平上的定量特征。
生物材料的骨生物活性潜能可以通过改变材料的化学成分、表面形貌和几何形状等特性来调节。生物材料的理化性质与其骨生物活性之间的关系是非常复杂的。作为一种广泛应用于骨修复的材料,钛(Ti)表面特征与骨生物活性之间的构效/剂量效应关系尚不清楚。为了定量增强钛的成骨活性,我们采用飞秒激光(FSL)技术在生物活性(成核)位点上制造梯度变化的钛表面。基于磷灰石在蚀刻表面的沉积能力,系统地探讨了钛表面的骨生物活性与其特征参数之间的定量关系。同时,利用经典分子动力学(MD)模拟研究了钙离子和磷酸盐离子在不同位点钛表面的聚集行为。矿化实验结果表明,生物活性位点的类型和密度会影响磷灰石的沉积。进一步确定了TiO2和Ti-OH是关键的生物活性位点,碱性Ti-OH比酸性Ti-OH表现出更好的生物活性位点。此外,TiO2的生物活性(成核)位点密度应保持在2.33±0.55 nm-2, oh的生物活性应保持在2.50±0.59 nm-2,以确保钛表面具有令人满意的骨生物活性。这些结果提供了钛表面的原子/分子特征,有效地促进了磷灰石沉积和生物活性,促进了钛基骨修复材料的快速发展。
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来源期刊
Journal of Materials Chemistry B
Journal of Materials Chemistry B MATERIALS SCIENCE, BIOMATERIALS-
CiteScore
11.50
自引率
4.30%
发文量
866
期刊介绍: Journal of Materials Chemistry A, B & C cover high quality studies across all fields of materials chemistry. The journals focus on those theoretical or experimental studies that report new understanding, applications, properties and synthesis of materials. Journal of Materials Chemistry A, B & C are separated by the intended application of the material studied. Broadly, applications in energy and sustainability are of interest to Journal of Materials Chemistry A, applications in biology and medicine are of interest to Journal of Materials Chemistry B, and applications in optical, magnetic and electronic devices are of interest to Journal of Materials Chemistry C.Journal of Materials Chemistry B is a Transformative Journal and Plan S compliant. Example topic areas within the scope of Journal of Materials Chemistry B are listed below. This list is neither exhaustive nor exclusive: Antifouling coatings Biocompatible materials Bioelectronics Bioimaging Biomimetics Biomineralisation Bionics Biosensors Diagnostics Drug delivery Gene delivery Immunobiology Nanomedicine Regenerative medicine & Tissue engineering Scaffolds Soft robotics Stem cells Therapeutic devices
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