Data from: Numerical simulations of targeted delivery of magnetic drug aerosols in the human upper and central respiratory system: a validation study

In the present study, we investigate the concept of the targeted delivery of pharmaceutical drug aerosols in an anatomically realistic geometry of the human upper and central respiratory system. The geometry considered extends from the mouth inlet to the 8th generation of the bronchial bifurcations and is identical to the phantom model used in the experimental studies of [Banko {em et al.} (2015), Exp. Fluids, {bf 56} (117):1-12]. In our computer simulations, we combine the transitional Reynolds-Averaged Navier-Stokes (RANS) and the wall-resolved Large Eddy Simulation (LES) methods for the air phase with the Lagrangian approach for the particulate (aerosol) phase. We validated simulations against recently obtained magnetic resonance velocimetry (MRV) measurements of [Banko {em et al.} (2015), Exp. Fluids, {bf 56} (117):1-12] that provide full a 3D mean velocity field for steady inspiratory conditions. Both approaches produced good agreement with experiments, and the transitional RANS approach is selected for the multi-phase simulations of aerosols transport, because of significantly lower computational costs. The local and total deposition efficiency are calculated for different classes of pharmaceutical particles (in the $0.1mu$m$le d_{rm p} le 10mu$m range) without and with a paramagnetic core (the shell-core particles). For the latter, an external magnetic field is imposed. The source of the imposed magnetic field was placed in the proximity of the first bronchial bifurcation. We demonstrated that both total- and local-depositions of aerosols at targeted locations can be significantly increased by an applied magnetization force. This finding confirms the possible potential for further advancement of the magnetic drug targeting (MDT) technique for more efficient treatments for respiratory diseases.本研究基于人类上呼吸道及中枢呼吸系统的解剖学逼真几何模型，探究药物气溶胶（pharmaceutical drug aerosols）的靶向递送策略。本次研究采用的几何模型从口腔入口延伸至第8代支气管分叉，与[Banko等人(2015)，Exp. Fluids，第56卷(117)：1-12]的实验研究所使用的体模（phantom model）完全一致。在计算机模拟中，我们针对气相采用过渡型雷诺平均纳维-斯托克斯（Reynolds-Averaged Navier-Stokes, RANS）与壁面解析大涡模拟（Large Eddy Simulation, LES）方法，并针对颗粒（气溶胶）相采用拉格朗日方法（Lagrangian approach）。我们将模拟结果与[Banko等人(2015)，Exp. Fluids，第56卷(117)：1-12]中采用磁共振测速（magnetic resonance velocimetry, MRV）新近获取的稳态吸气工况下的全三维平均速度场测量数据进行了验证。两种方法均与实验结果吻合良好，考虑到计算成本显著更低，我们选择过渡型RANS方法开展气溶胶输运的多相模拟。我们针对粒径范围为0.1μm ≤ d_p ≤10μm的不同类别药用颗粒，分别计算了有无顺磁核心（paramagnetic core）的核壳颗粒（shell-core particles）的局部沉积效率与总沉积效率。对于带有顺磁核心的颗粒，我们施加了外磁场（external magnetic field），磁场源置于第一支气管分叉附近。研究表明，通过施加磁化力（magnetization force），靶向位置的气溶胶总沉积量与局部沉积量均可得到显著提升。该结果证实了磁性药物靶向（magnetic drug targeting, MDT）技术在提升呼吸系统疾病治疗效率方面的进一步研发潜力。