Williamson Connor, Baptiste Joshua, Hamilton Melanie, Pang Cheng, Prime David, Stace Anthony J, Besley Elena
School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, U.K.
Drug Product Design Development, GlaxoSmithKline RD, Park Road, Ware, Hertfordshire SG12 0DP, U.K.
Mol Pharm. 2025 Sep 1;22(9):5485-5492. doi: 10.1021/acs.molpharmaceut.5c00485. Epub 2025 Aug 13.
Mechanisms for the growth of particles in a stream of aerosolised inhalation powders have been investigated computationally using experimentally measured stream compositions. Many-body electrostatic theory has been incorporated into classical particle dynamics simulations to describe the aggregation of charged, fine powder particles in the single and dual stream geometry of an inhaler. The simulations use experimental bipolar charge measurements recorded using a Dekati BOLAR as input. Evidence of a subtle relationship between charge and the dynamics of particle growth contributes to our understanding of the electrostatics and many-body interactions in inhalation powders. It is found that certain combinations of particle size and charge result in a scavenging process whereby small particles, which may be therapeutic, aggregate with large particles to become ineffective due to an overall increase in size. This process may have important implications for design of dry powder inhaler devices.
利用实验测量的气流成分,通过计算研究了雾化吸入粉末气流中颗粒的生长机制。多体静电理论已被纳入经典粒子动力学模拟中,以描述吸入器单流和双流几何结构中带电细粉颗粒的聚集。模拟使用德卡蒂BOLAR记录的实验双极电荷测量值作为输入。电荷与颗粒生长动力学之间微妙关系的证据有助于我们理解吸入粉末中的静电和多体相互作用。研究发现,颗粒大小和电荷的某些组合会导致一种清除过程,即可能具有治疗作用的小颗粒与大颗粒聚集,由于尺寸总体增加而变得无效。这一过程可能对干粉吸入器装置的设计具有重要意义。