Manrique-Bedoya Santiago, Abdul-Moqueet Mohammad, Lopez Priscilla, Gray Tara, Disiena Matthew, Locker Andrew, Kwee Sharon, Tang Liang, Hood R Lyle, Feng Yusheng, Large Nicolas, Mayer Kathryn M
Department of Mechanical Engineering, The University of Texas at San Antonio, San Antonio, Texas 78249, United States.
Department of Physics and Astronomy, The University of Texas at San Antonio, San Antonio, Texas 78249, United States.
J Phys Chem C Nanomater Interfaces. 2020 Aug 6;124(31):17172-17182. doi: 10.1021/acs.jpcc.0c02443. Epub 2020 Jul 6.
Induced hyperthermia has been demonstrated as an effective oncological treatment due to the reduced heat tolerance of most malignant tissues; however, most techniques for heat generation within a target volume are insufficiently selective, inducing heating and unintended damage to surrounding healthy tissues. Plasmonic photothermal therapy (PPTT) utilizes light in the near-infrared (NIR) region to induce highly localized heating in gold nanoparticles, acting as exogenous chromophores, while minimizing heat generation in nearby tissues. However, optimization of treatment parameters requires extensive and studies for each new type of pathology and tissue targeted for treatment, a process that can be substantially reduced by implementing computational modeling. Herein, we describe the development of an innovative model based on the finite element method (FEM) that unites photothermal heating physics at the nanoscale with the micron scale to predict the heat generation of both single and arrays of gold nanoparticles. Plasmonic heating from laser illumination is computed for gold nanoparticles with three different morphologies: nanobipyramids, nanorods, and nanospheres. Model predictions based on laser illumination of nanorods at a visible wavelength (655 nm) are validated through experiments, which demonstrate a temperature increase of 5 °C in the viscinity of the nanorod array when illuminated by a 150 mW red laser. We also present a predictive model of the heating effect induced at 810 nm, wherein the heating efficiencies of the various morphologies sharing this excitation peak are compared. Our model shows that the nanorod is the most effective at heat generation in the isolated scenario, and arrays of 91 nm long nanorods reached hyperthermic levels (an increase of at least 5 °C) within a volume of over 20 m.
由于大多数恶性组织的耐热性降低，诱导性热疗已被证明是一种有效的肿瘤治疗方法；然而，大多数在目标体积内产生热量的技术选择性不足，会对周围健康组织造成加热和意外损伤。等离子体光热疗法（PPTT）利用近红外（NIR）区域的光在作为外源性发色团的金纳米颗粒中诱导高度局部化的加热，同时尽量减少附近组织中的热量产生。然而，对于每种新的病理类型和治疗目标组织，治疗参数的优化需要进行广泛的研究，通过实施计算建模可以大幅减少这一过程。在此，我们描述了一种基于有限元方法（FEM）的创新模型的开发，该模型将纳米尺度和微米尺度的光热加热物理结合起来，以预测单个和阵列金纳米颗粒的热量产生。计算了具有三种不同形态的金纳米颗粒（纳米双锥体、纳米棒和纳米球）在激光照射下的等离子体加热。基于纳米棒在可见波长（655 nm）下的激光照射的模型预测通过实验得到验证，实验表明当用150 mW红色激光照射时，纳米棒阵列附近的温度升高了5°C。我们还提出了在810 nm处诱导的加热效应的预测模型，其中比较了共享此激发峰的各种形态的加热效率。我们的模型表明，在孤立情况下，纳米棒在产生热量方面最有效，并且91 nm长的纳米棒阵列在超过20 m³的体积内达到了热疗水平（至少升高5°C）。
