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
This work was supported by a grant from National Defense Science and Technology Innovation Special Zone of China (02-ZT-008).
Objective This work examines the impact of external electric fields at terahertz (THz) frequencies on double-stranded 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.
JIANG Duan-Jie, WU Jing-Zhi, WANG Yan-Hong, ZHANG Rui. Terahertz Electric Field iInduced Double Strand Breakage and Vibrations of dsDNA in a Gold Nanoslit[J]. Progress in Biochemistry and Biophysics,,():
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