A random walk model of skin permeation.
A random walk model of skin permeation.
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皮肤渗透的随机游走模型。
DOI：
10.1111/0272-4332.00024
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发表时间：
2002
期刊：
影响因子：
--
通讯作者：
H. Frasch
中科院分区：
文献类型：
--
作者：
H. Frasch
本文提出了一种新的水溶性赋形剂透皮渗透的数学模型。该模型的基本原理是通过其基本分子机制来表示扩散，即，随机热运动扩散被建模为通过双相（脂质和角质细胞）角质层（SC）的二维随机游走。这种方法允许在一个形态逼真的SC结构的扩散现象的计算。两个概念是关键的应用模型的预测稳态皮肤渗透系数：“有效扩散率”和“有效路径长度”，这意味着扩散率和厚度的均匀膜具有相同的渗透性能的角质层。这两个变量的代数表达式开发的扩散物质的分子量和辛醇-水分配系数的函数。将这些与膜-载体分配系数和含水表皮的渗透性的表达式相结合，使得能够计算稳态皮肤渗透系数。所得四参数代数模型与“Flynn数据库”进行回归，结果良好（R2 = 0.84：SE = 0.0076; F = 154; N = 94）。该模型提供了深入了解角质层的扩散率和有效路径长度的整体皮肤渗透性的贡献，并可能被证明是有用的非稳态扩散现象的预测。
A new mathematical model for permeability of chemicals in aqueous vehicle through skin is presented. The rationale for this model is to represent diffusion by its fundamental molecular mechanism, i.e., random thermal motion. Diffusion is modeled as a two-dimensional random walk through the biphasic (lipid and corneocyte) stratum corneum (SC). This approach permits calculations of diffusion phenomena in a morphologically realistic SC structure. Two concepts are key in the application of the model to the prediction of steady-state skin permeability coefficients: "effective diffusivity" and "effective path length," meaning the diffusivity and thickness of a homogeneous membrane having identical permeation properties as the stratum corneum. Algebraic expressions for these two variables are developed as functions of the molecular weight and octanol-water partition coefficient of the diffusing substance. Combining these with expressions for membrane-vehicle partition coefficient and permeability of the aqueous epidermis enables the calculation of steady-state skin permeability coefficients. The resulting four-parameter algebraic model was regressed against the "Flynn data base" with excellent results (R2 = 0.84: SE = 0.0076; F = 154; N = 94). The model provides insight into the contributions of stratum corneum diffusivity and effective path lengths to overall skin permeability and may prove useful in the prediction of non-steady-state diffusion phenomena.
哺乳动物角质层细胞间脂质层的分子模型。
DOI：
10.1111/1523-1747.ep12276794
发表时间：
1989
期刊：
The Journal of investigative dermatology
影响因子：
--
作者：
Swartzendruber,DC;Wertz,PW;Kitko,DJ;Madison,KC;Downing,DT
通讯作者：
Downing,DT
影响因子：
6.5
作者：
SWARTZENDRUBER, DC;WERTZ, PW;DOWNING, DT
通讯作者：
DOWNING, DT