Modeling Transdermal Permeation. Part I. Predicting Skin Permeability of Both Hydrophobic and Hydrophilic Solutes
Modeling Transdermal Permeation. Part I. Predicting Skin Permeability of Both Hydrophobic and Hydrophilic Solutes
复制标题
DOI：
10.1002/aic.12048
复制
发表时间：
2010-05-01
期刊：
影响因子：
3.7
通讯作者：
Han, Lujia
中科院分区：
文献类型：
--
作者：
Chen, Longjian;Lian, Guoping;Han, Lujia
在这项研究中，我们提出了一个模型研究预测的疏水性和亲水性溶质的经皮渗透性，使用我们最近报道的复杂介质中的传质机理模型，其中角质层的异质结构是由“砖和砂浆”模型。溶质在脂质基质和角质细胞中的分配和扩散特性分别计算，而不拟合建模的皮肤渗透性数据。皮肤渗透性已被预测为一个全面的实验数据集的化学品编译较早。当包括跨细胞途径时，预测的皮肤渗透性和实验数据之间的一致性大大提高。改善主要是由于亲水性溶质的预测结果更好。还分析了每种途径对整体皮肤渗透性的贡献。结果表明，跨细胞途径不仅对高亲水性溶质很重要，而且对中等疏水性溶质也很重要。(C)2009美国化学工程师学会AIChE J，56：1136-1146，2010
In this study, we present a modeling study on the prediction of transdermal permeability of both hydrophobic and hydrophilic solutes, using our recently reported mechanistic model of mass transfer in complex media, where the heterogeneous structure of the stratum corneum is represented by "bricks-and-mortar" model. The partition and diffusion properties of solutes in lipid matrix and corneocytes are calculated separately, without fitting to the modeled skin permeability data. Skin permeability has been predicted for a comprehensive experimental data set of chemicals compiled earlier. When the transcellular pathway is included, the agreement between predicted skin permeability and experimental data is much improved. The improvement is mainly due to better predicted results for hydrophilic solutes. The contribution of each pathway to the overall skin permeability has also been analyzed. The results showed that the transcellular pathway is important not only for highly hydrophilic solutes, but also for moderately hydrophobic solutes. (C) 2009 American Institute of Chemical Engineers AIChE J, 56: 1136-1146, 2010