Yarotski Dzmitry A, Kilina Svetlana V, Talin A Alec, Tretiak Sergei, Prezhdo Oleg V, Balatsky Alexander V, Taylor Antoinette J
Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Nano Lett. 2009 Jan;9(1):12-7. doi: 10.1021/nl801455t.
We employ scanning tunneling microscopy (STM) to reveal the structure of DNA-carbon nanotube complexes with unprecedented spatial resolution and compare our experimental results to molecular dynamics simulations. STM images show strands of DNA wrapping around (6,5) nanotubes at approximately 63 degrees angle with a coiling period of 3.3 nm, in agreement with the theoretical predictions. In addition, we observe width modulations along the DNA molecule itself with characteristic lengths of 1.9 and 2.5 nm, which remain unexplained. In our modeling we use a helical coordinate system, which naturally accounts for tube chirality along with an orbital charge density distribution and allows us to simulate this hybrid system with the optimal pi-interaction between DNA bases and the nanotube. Our results provide novel insight into the self-assembling mechanisms of nanotube-DNA hybrids and can be used to guide the development of novel DNA-based nanotube separation and self-assembly methods, as well as drug delivery and cancer therapy techniques.
我们采用扫描隧道显微镜(STM)以前所未有的空间分辨率揭示DNA-碳纳米管复合物的结构,并将我们的实验结果与分子动力学模拟进行比较。STM图像显示,DNA链以约63度的角度缠绕在(6,5)纳米管周围,卷曲周期为3.3纳米,这与理论预测一致。此外,我们观察到沿着DNA分子本身存在宽度调制,其特征长度为1.9纳米和2.5纳米,目前仍无法解释。在我们的建模中,我们使用螺旋坐标系,它自然地考虑了管的手性以及轨道电荷密度分布,并使我们能够模拟DNA碱基与纳米管之间具有最佳π相互作用的这种混合系统。我们的结果为纳米管-DNA杂化物的自组装机制提供了新的见解,可用于指导新型基于DNA的纳米管分离和自组装方法以及药物递送和癌症治疗技术的开发。