特定太赫兹场能否诱导 DNA 中的集体碱基翻转?基于新介观模型的随机平均和共振增强研究。

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2024-08-01 DOI:10.1063/5.0208609
Wang Sang Koon, Houman Owhadi, Molei Tao, Tomohiro Yanao
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引用次数: 0

摘要

我们研究了介观 DNA 通过与特定电场共振的蜕变性、内部频率、活化机制、能量转移和集体碱基翻转。我们的新介观 DNA 模型不仅考虑了螺旋度和电场与碱基偶极矩的耦合问题,还包括环境效应,如流体粘度和热噪声。此外,所有参数值的选择都是为了最好地代表 DNA 打开和关闭动态的典型值。我们的研究表明,虽然介观 DNA 对环境影响具有稳态和稳健性,但它很容易受到某些频率的影响,而特定的太赫兹场可能会触发其集体碱基翻转动力学,并导致碱基对的大振幅分离。根据弗里德林-文采尔随机平均法和新开发的共振增强理论对我们的介观 DNA 模型的应用,我们的半分析估计表明,所需的场应该是频率在 0.28 THz 左右、振幅在 450 kV/cm 左右的 THz 场。这些估计值与 Titova 等人的实验数据相差无几,后者证明,频率约为 0.5 THz、峰值电场为 220 kV/cm 的 THz 脉冲可以影响人体皮肤组织中 DNA 的功能。此外,我们的估算也符合最近几年出现的其他一些实验结果。
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Can specific THz fields induce collective base-flipping in DNA? A stochastic averaging and resonant enhancement investigation based on a new mesoscopic model.

We study the metastability, internal frequencies, activation mechanism, energy transfer, and the collective base-flipping in a mesoscopic DNA via resonance with specific electric fields. Our new mesoscopic DNA model takes into account not only the issues of helicity and the coupling of an electric field with the base dipole moments, but also includes environmental effects, such as fluid viscosity and thermal noise. Also, all the parameter values are chosen to best represent the typical values for the opening and closing dynamics of a DNA. Our study shows that while the mesoscopic DNA is metastable and robust to environmental effects, it is vulnerable to certain frequencies that could be targeted by specific THz fields for triggering its collective base-flipping dynamics and causing large amplitude separation of base pairs. Based on applying the Freidlin-Wentzell method of stochastic averaging and the newly developed theory of resonant enhancement to our mesoscopic DNA model, our semi-analytic estimates show that the required fields should be THz fields with frequencies around 0.28 THz and with amplitudes in the order of 450 kV/cm. These estimates compare well with the experimental data of Titova et al., which have demonstrated that they could affect the function of DNA in human skin tissues by THz pulses with frequencies around 0.5 THz and with a peak electric field at 220 kV/cm. Moreover, our estimates also conform to a number of other experimental results, which appeared in the last couple years.

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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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