Gomes-Filho Márcio Sampaio, Oliveira Fernando Albuquerque, Barbosa Marco Aurélio Alves
Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580, Santo André, São Paulo, Brazil.
Instituto de Física, Universidade de Brasília, 70919-970 Brasília-DF, Brazil.
Phys Rev E. 2022 Apr;105(4-1):044110. doi: 10.1103/PhysRevE.105.044110.
A computational model is proposed to investigate drug delivery systems in which erosion and diffusion mechanisms are participating in the drug release process. Our approach allowed us to analytically estimate the crossover point between those mechanisms through the value of the parameter b (b_{c}=1) and the scaling behavior of parameter τ on the Weibull function, exp[-(t/τ)^{b}], used to adjust drug release data in pharmaceutical literature. Numerical investigations on the size dependence of the characteristic release time τ found it to satisfy either linear or quadratic scaling relations on either erosive or diffusive regimes. Along the crossover, the characteristic time scales with the average coefficient observed on the extreme regimes (i.e., τ∼L^{3/2}), and we show that this result can be derived analytically by assuming an Arrhenius relation for the diffusion coefficient inside the capsule. Based on these relations, a phenomenological expression for the characteristic release in terms of size L and erosion rate κ is proposed, which can be useful for predicting the crossover erosion rate κ_{c}. We applied this relation to the experimental literature data for the release of acetaminophen immersed in a wax matrix and found them to be consistent with our numerical results.
提出了一种计算模型，用于研究药物递送系统，其中侵蚀和扩散机制参与药物释放过程。我们的方法使我们能够通过参数b的值（b_c = 1）以及参数τ在威布尔函数exp[-(t/τ)^b]上的标度行为，来分析估计这些机制之间的交叉点，该函数用于调整药物文献中的药物释放数据。对特征释放时间τ的尺寸依赖性进行的数值研究发现，在侵蚀或扩散区域，它满足线性或二次标度关系。在交叉点处，特征时间与在极端区域观察到的平均系数成比例（即τ∼L^(3/2)），并且我们表明，通过假设胶囊内扩散系数的阿伦尼乌斯关系，可以通过分析得出该结果。基于这些关系，提出了一个关于尺寸L和侵蚀速率κ的特征释放的唯象表达式，这对于预测交叉侵蚀速率κ_c可能是有用的。我们将此关系应用于浸入蜡基质中的对乙酰氨基酚释放的实验文献数据，发现它们与我们的数值结果一致。
