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.

本研究针对人体上呼吸道及中央呼吸系统的解剖学真实几何模型，探究药物气溶胶靶向递送的相关机理。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)，《实验流体（Exp. Fluids）》，第56卷第117期：1-12]的实验研究所使用的体模模型完全一致。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）方法与壁面解析大涡模拟（wall-resolved Large Eddy Simulation, LES）方法，并针对颗粒（气溶胶）相采用拉格朗日方法。我们以[Banko等人(2015)，《实验流体（Exp. Fluids）》，第56卷第117期：1-12]中针对稳态吸气工况新近获得的全三维平均速度场的磁共振测速（magnetic resonance velocimetry, MRV）测量结果作为基准，对模拟结果进行了验证。两种方法均与实验结果吻合良好，考虑到过渡型RANS方法的计算成本显著更低，因此我们选用该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，分别计算了无顺磁核颗粒，以及带有顺磁核的核壳型颗粒的局部沉积效率与总沉积效率。对于带有顺磁核的颗粒，我们施加了外磁场，磁场源被布置在第一处支气管分叉的近旁。我们证实，通过施加磁化力，靶向位置处气溶胶的总沉积量与局部沉积量均可得到显著提升。这一发现证明了磁药物靶向（magnetic drug targeting, MDT）技术在进一步优化以实现更高效呼吸系统疾病治疗方面的潜在应用价值。