Abstract：
The combined application of electric fields and ultrasonic waves has shown promise in controlling cell membrane permeability, potentially resulting in synergistic effects that can be explored in the biotechnology industry. However, further clarification on how these processes interact is still needed. The objective of the present study was to investigate the atomic-scale effects of these processes on a DPPC lipid bilayer using molecular dynamics simulations. For higher electric fields, capable of independently forming pores, the application of an ultrasonic wave in the absence of cavitation yielded no additional effects on pore formation. However, for lower electric fields, the reduction in bilayer thickness induced by the shock wave catalyzed the electroporation process, effectively shortening the mean path that water molecules must traverse to form pores. When cavitation was considered, synergistic effects were evident only if the wave alone was able to generate pores through the formation of a water nanojet. In these cases, sonoporation acted as a mean to focus the electroporation effects on the initial pore formed by the nanojet. This study contributes to a better understanding of the synergy between electric fields and ultrasonic waves and to an optimal selection of processing parameters in practical applications of these processes.
摘要：
电场和超声波的联合应用在控制细胞膜通透性方面显示出了希望，可能导致可以在生物技术行业探索的协同效应。然而,仍然需要进一步澄清这些过程是如何相互作用的。本研究的目的是使用分子动力学模拟研究这些过程对DPPC脂质双层的原子尺度效应。对于较高的电场，能够独立形成孔隙，在没有空化的情况下，超声波的应用对孔隙的形成没有额外的影响。然而,对于较低的电场，冲击波引起的双层厚度的减少催化了电穿孔过程，有效地缩短水分子必须穿过以形成孔的平均路径。当考虑空化时，仅当单独的波能够通过水纳米射流的形成产生孔隙时，协同效应才是明显的。在这些情况下,声穿孔是将电穿孔效应集中在纳米射流形成的初始孔上的手段。这项研究有助于更好地了解电场和超声波之间的协同作用，并有助于在这些过程的实际应用中最佳选择工艺参数。
