Terahertz Electric Field Induced Double Strand Breakage and Vibrations of dsDNA in a Gold Nanoslit  

太赫兹电场诱导金纳米狭缝中双链DNA的氢键断裂和振动

作　　者：JIANG Duan-Jie WANG Yan-Hong WU Jing-Zhi ZHANG Rui 姜端杰;王艳红;武京治;张瑞(中北大学信息与通信工程学院,太原030051;中北大学前沿交叉科学技术研究院,太原030051)

机构地区：[1]School of Information and Communication Engineering,North University of China,Taiyuan 030051,China [2]Academy for Advanced Interdisciplinary Research,North University of China,Taiyuan 030051,China

出　　处：《生物化学与生物物理进展》2024年第12期3279-3291,共13页Progress In Biochemistry and Biophysics

基　　金：国防科技创新特区(02-ZT-008)资助项目。

摘　　要：Objective This work examines the impact of external electric fields at terahertz(THz)frequencies on doublestranded deoxyribonucleic acid(dsDNA)systems adsorbed on Au(111)surfaces in aqueous environments.Methods The investigation utilizes a molecular dynamics(MD)approach at the atomic level and vibrational dynamics calculations using the GolDNA-Amber force field.Results The results reveal that the sugar-phosphate backbone of the DNA exhibits reduced adherence to the gold surface,while the side chains display a stronger affinity.When subjecting the hydrated DNA strands to an electric field with frequencies up to 10 THz,peak intensities of vibrational dynamic density(VDoS)are observed at five different frequencies.Moreover,the strong electric field causes hydrogen bonds in the DNA within the slit to break.The sensitivity to the electric field is particularly pronounced at 8.8 THz and 9.6 THz,with different vibrational modes observed at varying electric field strengths.Conclusion These findings contribute to an enhanced understanding of the molecular organization of gold-plated charged biological interfaces.目的本文探讨了太赫兹(THz)频率下的外电场对吸附在金(111)表面的水合双链脱氧核糖核酸(ds DNA)系统的影响。方法采用Gol DNA-Amber力场进行分子动力学模拟。结果DNA的碱基侧链比糖磷酸骨架更容易吸附在金层表面。当水合DNA分子置于频率高达10 THz的电场中时,振动态密度(VDo S)分别在5个不同频率下观察到峰值强度。此外,强电场会导致狭缝内DNA双链之间的氢键断裂。此现象在8.8 THz和9.6 THz的电场频率下尤为明显,并且在不同的电场强度下展示出不同的振动模式。结论这些发现有助于加深对镀金生物界面的分子组织的理解。

关 键 词：molecular dynamics electric field THz spectroscopy gold surface low frequency motions 

分 类 号：Q617[生物学—生物物理学] Q615