Abstract：
BACKGROUND: Electroporation is a technique that creates electrically generated pores in the cell membrane by modifying transmembrane potential. In this work, the finite element method (FEM) was used to examine the induced transmembrane voltage (ITV) of a spherical-shaped MCF-7 cell, allowing researchers to determine the stationary ITV. A greater ITV than the critical value causes permeabilization of the membrane. Furthermore, the present study shows how a specific surface conductivity can act as a stand-in for the thin layer that constitutes a cell membrane as the barrier between extracellular and intracellular environments. Additionally, the distribution of ITV on the cell membrane and its maximum value were experimentally evaluated for a range of applied electric fields. Consequently, the entire cell surface area was electroporated 66% and 68% for molecular dynamics (MD) simulations and FEM, respectively, when the external electric field of 1500 V/cm was applied to the cell suspension using the previously indicated numerical methods. Furthermore, the lipid bilayers\' molecular structure was changed, which led to the development of hydrophilic holes with a radius of 1.33 nm. Applying MD and FEM yielded threshold values for transmembrane voltage of 700 and 739 mV, respectively.
METHODS: Using MD simulations of palmitoyloleoyl-phosphatidylcholine (POPC), pores in cell membranes exposed to external electric fields were numerically investigated. The dependence on the electric field was estimated and developed, and the amount of the electroporated cell surface area matches the applied external electric field. To investigate more, a mathematical model based on an adaptive neuro-fuzzy inference system (ANFIS) is employed to predict the percent cell viability of cancerous cells after applying four pulses during electroporation. For MD simulations, ArgusLab, VMD, and GROMACS software packages were used. Moreover, for FEM analysis, COMSOL software package was used. Also, it is worth mentioning that for mathematical model, MATLAB software is used.
METHODS: Using MD simulations of palmitoyloleoyl-phosphatidylcholine (POPC), pores in cell membranes exposed to external electric fields were numerically investigated. The dependence on the electric field was estimated and developed, and the amount of the electroporated cell surface area matches the applied external electric field. To investigate more, a mathematical model based on an adaptive neuro-fuzzy inference system (ANFIS) is employed to predict the percent cell viability of cancerous cells after applying four pulses during electroporation. For MD simulations, ArgusLab, VMD, and GROMACS software packages were used. Moreover, for FEM analysis, COMSOL software package was used. Also, it is worth mentioning that for mathematical model, MATLAB software is used.
摘要：
背景：电穿孔是一种通过改变跨膜电位在细胞膜中产生电产生的孔的技术。在这项工作中,有限元方法（FEM）用于检查球形MCF-7细胞的感应跨膜电压（ITV），允许研究人员确定固定的ITV。比临界值更大的ITV导致膜的透化。此外，本研究显示了特定的表面电导率如何充当构成细胞膜的薄层的替代品，作为细胞外和细胞内环境之间的屏障。此外,在一系列施加的电场下，实验评估了ITV在细胞膜上的分布及其最大值。因此,整个细胞表面积进行了66％和68％的电穿孔分子动力学（MD）模拟和有限元，分别,当使用先前指示的数值方法将1500V/cm的外部电场施加到细胞悬浮液时。此外，脂质双层的分子结构发生了变化，这导致了半径为1.33nm的亲水孔的发展。应用MD和FEM得出跨膜电压的阈值为700和739mV，分别。
方法：使用棕榈酰油酰基磷脂酰胆碱（POPC）的MD模拟，对暴露于外部电场的细胞膜中的孔进行了数值研究。对电场的依赖性进行了估计和发展，并且电穿孔的细胞表面积的量与施加的外部电场相匹配。调查更多,基于自适应神经模糊推理系统（ANFIS）的数学模型用于预测在电穿孔过程中施加四个脉冲后癌细胞的细胞活力百分比。对于MD模拟，ArgusLab,VMD,使用GROMACS软件包。此外，对于有限元分析，使用COMSOL软件包。此外，值得一提的是，对于数学模型，使用MATLAB软件。
方法：使用棕榈酰油酰基磷脂酰胆碱（POPC）的MD模拟，对暴露于外部电场的细胞膜中的孔进行了数值研究。对电场的依赖性进行了估计和发展，并且电穿孔的细胞表面积的量与施加的外部电场相匹配。调查更多,基于自适应神经模糊推理系统（ANFIS）的数学模型用于预测在电穿孔过程中施加四个脉冲后癌细胞的细胞活力百分比。对于MD模拟，ArgusLab,VMD,使用GROMACS软件包。此外，对于有限元分析，使用COMSOL软件包。此外，值得一提的是，对于数学模型，使用MATLAB软件。
