Studi Difusi Gadolinium Makrosiklik Pada Sel Kupffer Menggunakan Simulasi Monte Carlo Cell

Stcay Gillian Alehandra Gore, A. Sutresno, Andreas Setiawan
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Abstract

Contrast agents containing gadolinium (Gd) are classified into two types based on their molecular structure: linear and macrocyclic. The macrocyclic type is known for its enhanced stability, resulting in minimal release of Gd ions within the body. The distribution of macrocyclic Gd within the kupffer cells in the liver, undergoes a diffusion process. In this study aimed to investigate the diffusion mechanism of macrocyclic gadolinium in kupffer cells. It employs a simulation geometry model employing Monte Carlo Cell and a three-compartment experimental model. The kupffer cell model in the simulation was generated using Blender 2.93 application, consisting of three compartments, while the experimental model involved three compartments containing a NaCl solution. The simulation results revealed that kupffer cell membran densities of 1480 molekul/μm2, 2961 molekul/μm2, 4442 molekul/μm2, and 5922 molekul/μm2 exhibited respective half-lifes of 0.547 s, 0.261 s, 0.198 s, and 0.148 s. Furthermore, the experimental results indicated that the models with 100, 200, 300, and 400 holes displayed half-lives of 1720 s, 578 s, 530 s, and 240 s, respectively. Result this research shows that higher membrane density and more significant number of holes results in faster molecule diffusion.
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Kupffer细胞的宏环化钆扩散研究采用了蒙特卡洛细胞的模拟
含钆造影剂根据其分子结构分为线性和大环两类。大环型以其增强的稳定性而闻名,导致体内最少的Gd离子释放。大环Gd在肝脏库普弗细胞内的分布经历了一个扩散过程。本研究旨在探讨大环钆在kupffer细胞中的扩散机制。它采用蒙特卡罗单元模拟几何模型和三室实验模型。模拟中的kupffer细胞模型是使用Blender 2.93应用程序生成的,由三个隔间组成,而实验模型则是包含NaCl溶液的三个隔间。模拟结果表明,库普弗细胞膜密度分别为1480、2961、4442和5922分子/μm2的半衰期分别为0.547、0.261、0.198和0.148 s。此外,实验结果表明,具有100、200、300和400个孔的模型的半衰期分别为1720、578、530和240 s。结果研究表明,膜密度越大,孔数越多,分子扩散速度越快。
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