经实验验证的电穿孔脉冲诱导代用组织 ph 值变化的数值模型

IF 5.5 3区 材料科学 Q1 ELECTROCHEMISTRY
Rok Šmerc, Damijan Miklavčič, Samo Mahnič-Kalamiza
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引用次数: 0

摘要

电穿孔通常会导致电极-电解溶液界面发生电化学反应,特别是在使用持续时间较长(通常为几微秒或更长)的单相脉冲时,不仅会导致双层电容充电,还会导致电极和溶液之间的法拉第电荷转移。从基因电转移到组织的电解消融,这些应用都需要避免或积极利用电化学变化来促进治疗。通过数值建模和实验验证,我们的研究探讨了远动电流在代用组织中引起的 pH 值变化程度。根据第一原理,结合阳极和阴极的水解反应以及离子传输的 Nernst-Planck 模型,建立了 pH 值变化的机理多物理场模型。该模型利用琼脂糖凝胶组织模型进行了验证,设计用于模拟无缓冲和缓冲(模拟体内组织缓冲能力)条件。开发了一种带有 pH 值敏感染料的成像系统,用于可视化和量化 pH 值前沿的形成和迁移。模型预测的定性结果与实验数据十分吻合,能够区分未缓冲介质和缓冲介质的 pH 值前沿行为。不过,在预测 pH 前沿的时间和空间演变方面,定量的准确性还有待进一步提高。实验观察结果表明,需要建立更先进的模型。尽管如此,所开发的模型为预测高压电脉冲传输引起的 pH 值变化提供了坚实的理论基础,例如在基于电穿孔的治疗和疗法中遇到的情况。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
AN EXPERIMENTALLY VALIDATED NUMERICAL MODEL OF PH CHANGES IN SURROGATE TISSUE INDUCED BY ELECTROPORATION PULSES
Electroporation often leads to electrochemical reactions at the electrode-electrolytic solution interface, particularly when using monophasic pulses of considerable duration (typically on the order of several microseconds or longer) that cause not only capacitive charging of the double-layer, but also faradaic charge transfer between the electrodes and the solution. Applications, where the electrochemical changes are to be either avoided or actively exploited to benefit the treatment, range from gene electrotransfer to electrolytic ablation of tissue. Through numerical modelling and experimental validation, our study explores the extent of pH changes induced by faradaic currents in a surrogate tissue. A mechanistic multiphysics model of pH changes was developed based on first principles, incorporating hydrolysis reactions at the anode and cathode, and the Nernst-Planck model of ion transport. The model was validated using agarose gel tissue phantoms designed to simulate unbuffered and buffered (mimicking in vivo tissue buffering capacity) conditions. An imaging system with pH-sensitive dyes was developed and used to visualise and quantify pH front formation and migration. The model predictions qualitatively aligned well with experimental data, differentiating pH front behaviour between unbuffered and buffered media. However, the quantitative accuracy in predicting the temporal and spatial evolution of the pH fronts can be further improved. Experimental observations emphasise the need for more advanced models. Nevertheless, the developed model provides a sound theoretical foundation for predicting pH changes due to high-voltage electric pulse delivery, such as encountered in electroporation-based treatments and therapies.
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来源期刊
Electrochimica Acta
Electrochimica Acta 工程技术-电化学
CiteScore
11.30
自引率
6.10%
发文量
1634
审稿时长
41 days
期刊介绍: Electrochimica Acta is an international journal. It is intended for the publication of both original work and reviews in the field of electrochemistry. Electrochemistry should be interpreted to mean any of the research fields covered by the Divisions of the International Society of Electrochemistry listed below, as well as emerging scientific domains covered by ISE New Topics Committee.
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