Zúñiga Paulo, Aravena Marcelo, Ponce Silvia, Hernandez-Montelongo Jacobo
Department of Mathematical and Physical Sciences, Catholic University of Temuco, Temuco 4813302, Chile.
Institute of Scientific Research IDIC, University of Lima, Lima 15023, Peru.
Pharmaceutics. 2025 Jan 16;17(1):120. doi: 10.3390/pharmaceutics17010120.
: A previous study investigated the in vitro release of methylene blue (MB), a widely used cationic dye in biomedical applications, from nanocellulose/nanoporous silicon (NC/nPSi) composites under conditions simulating body fluids. The results showed that MB release rates varied significantly with the nPSi concentration in the composite, highlighting its potential for controlled drug delivery. To further analyze the relationship between diffusion dynamics and the MB concentration, this study developed a finite element (FE) method to solve Fick's equations governing the drug delivery system. : Release profiles of MB from NC/nPSi composites with varying nPSi concentrations (0%, 0.1%, 0.5%, and 1.0%) were experimentally measured in triplicate using phosphate-buffered saline (PBS) at 37 °C, pH 7.4, and 100 rpm. Mathematical models incorporating linear and quadratic dependencies of the diffusion coefficient on the MB concentration were developed and tested using the FE method. Model parameters were refined by minimizing the error between simulated and experimental MB release profiles. : The proposed FE method closely matched experimental data, validating its accuracy and robustness in simulating the diffusion and release processes. : This study emphasizes the significant impact of the nPSi concentration on enhancing release control and highlights the importance of material composition in designing drug delivery systems. The findings suggest that the FE method can be effectively applied to model other complex systems, paving the way for advancements in precision drug delivery and broader biomedical applications.
先前的一项研究调查了亚甲蓝（MB）在模拟体液条件下从纳米纤维素/纳米多孔硅（NC/nPSi）复合材料中的体外释放情况。亚甲蓝是生物医学应用中广泛使用的阳离子染料。结果表明，MB的释放速率随复合材料中nPSi的浓度而显著变化，突出了其在可控药物递送方面的潜力。为了进一步分析扩散动力学与MB浓度之间的关系，本研究开发了一种有限元（FE）方法来求解控制药物递送系统的菲克方程。
使用磷酸盐缓冲盐水（PBS）在37°C、pH 7.4和100 rpm的条件下，对具有不同nPSi浓度（0%、0.1%、0.5%和1.0%）的NC/nPSi复合材料中MB的释放曲线进行了三次实验测量。开发了包含扩散系数对MB浓度的线性和二次依赖性的数学模型，并使用FE方法进行了测试。通过最小化模拟和实验MB释放曲线之间的误差来优化模型参数。
所提出的FE方法与实验数据紧密匹配，验证了其在模拟扩散和释放过程中的准确性和稳健性。
本研究强调了nPSi浓度对增强释放控制的显著影响，并突出了材料组成在设计药物递送系统中的重要性。研究结果表明，FE方法可以有效地应用于模拟其他复杂系统，为精准药物递送的进步和更广泛的生物医学应用铺平了道路。
