Acceleration of DNA melting kinetics using alternating electric fields

被引:11
|
作者
Sensale, Sebastian [1 ]
Peng, Zhangli [1 ]
Chang, Hsueh-Chia [2 ]
机构
[1] Univ Notre Dame, Dept Aerosp & Mech Engn, Notre Dame, IN 46556 USA
[2] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 2018年 / 149卷 / 08期
基金
美国国家科学基金会; 美国国家卫生研究院;
关键词
MOLECULAR-DYNAMICS; TERAHERTZ RADIATION; BASE MOLECULES; STEM-CELLS; HYBRIDIZATION; WATER; POLARIZATION; PROTEINS; CRYSTALS; SURFACE;
D O I
10.1063/1.5039887
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We verify both theoretically and by simulation that an AC electric field, with a frequency much higher than the dissociation rate, can significantly accelerate the dissociation rate of biological molecules under isothermal conditions. The cumulative effect of the AC field is shown to break a key bottleneck by reducing the entropy (and increasing the free energy of the local minimum) via the alignment of the molecular dipole with the field. For frequencies below a resonant frequency which corresponds to the inverse Debye dipole relaxation time, the dissociation rate can be accelerated by a factor that scales as omega(epsilon'(omega)-1)E-0(2), where omega is the field frequency, E-0 is the field amplitude, and epsilon'(omega) is the frequency-dependent real permittivity of the molecule. At large amplitudes, we find that the accelerated melting rate becomes universal, independent of duplex size and sequence, which is in drastic contrast to Ohmic thermal melting. We confirm our theory with isothermal all-atomic molecular dynamics simulation of short DNA duplexes with known melting rates, demonstrating several orders in enhancement with realistic fields. Published by AIP Publishing.
引用
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页数:8
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