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Mathematical Modelling of Transdermal Permeation of Chemicals with Special Focus on the Hair Follicle Pathway

机译：化学物质透皮渗透的数学模型，特别关注毛囊途径

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摘要

The assessment of the follicular penetration of chemicals into the human skin is of high importance to topical and transdermal drug delivery, personal care, as well as risk assessment of chemical exposure. This is due to the significant contribution of the hair follicles to the penetration of chemicals through the epidermal barrier. The purpose of this work is to develop a two-dimensional pharmacokinetic model which will provide quantitative elucidation of the impact of the follicular pathway, in addition to the transcellular and intercellular routes, on a wide range of chemicals. The follicular pathway is modelled by diffusion in the sebum, which is assumed to completely fill the gap between the inner and outer root sheath. The model is capable of predicting the transdermal permeation kinetics by using built-in equations to estimate the input parameters (e.g. the partition and diffusion coefficients in various skin components). The model has been quantitatively or qualitatively compared to 18 experimental studies, and has demonstrated good predictive capability against the majority of the experimental data. Simulations across a wide chemical space have indicated that the follicular pathway has a greater impact on the penetration of lipophilic than hydrophilic chemicals. Additionally, the larger the molecular weight of the chemical, the greater the impact the hair follicle has on its penetration. The follicular impact has been quantified in various ways (e.g. amount penetrated, bioavailability, permeability difference). The developed model can provide new insight and detailed information regarding chemicals' disposition and localised delivery in lipid, corneocytes, viable dermis, dermis and the hair follicle.
机译：对化学物质通过卵泡渗透到人体皮肤的评估对于局部和透皮给药，个人护理以及化学物质暴露的风险评估具有重要意义。这是由于毛囊对化学物质通过表皮屏障的渗透的重大贡献。这项工作的目的是建立一个二维药代动力学模型，除了跨细胞和细胞间途径外，该模型还将定量阐明卵泡途径对多种化学物质的影响。通过皮脂中的扩散来模拟卵泡途径，假设皮脂的扩散完全填充了内，外根鞘之间的间隙。该模型能够通过使用内置方程式估算输入参数（例如各种皮肤成分中的分配系数和扩散系数）来预测透皮渗透动力学。该模型已与18个实验研究进行了定量或定性比较，并针对大多数实验数据显示出良好的预测能力。在广阔的化学空间中进行的模拟表明，与亲水性化学物质相比，卵泡途径对亲脂性物质的渗透影响更大。另外，化学物质的分子量越大，毛囊对其渗透的影响越大。卵泡的影响已通过多种方式进行了量化（例如渗透量，生物利用度，通透性差异）。所开发的模型可以提供有关化学物质在脂质，角质细胞，活真皮，真皮和毛囊中的位置和局部递送的新见解和详细信息。

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  • 作者

    Kattou, Panayiotis.;

  • 作者单位

    University of Surrey (United Kingdom).;

  • 授予单位 University of Surrey (United Kingdom).;
  • 学科 Chemical engineering.;Pharmacology.;Bioengineering.
  • 学位 Ph.D.
  • 年度 2017
  • 页码 208 p.
  • 总页数 208
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

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