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Mathematical modeling of surface-active and non-surface-active drug transport in emulsion systems

机译:乳液系统中表面活性和非表面活性药物传输的数学模型

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摘要

Mathematical models were developed for the prediction of surface-active and non- surface-active drug transport in triphasic (oil, water, and micellar) emulsion systems as a function of micellar concentration. These models were evaluated by comparing experimental and simulated data. Fick's first law of diffusion with association of the surface-active or complexation nature of the drug with the surfactant was used to derive a transport model for surface-active drugs. This transport model assumes that the oil/water (O/W) partitioning process was fast compared with membrane transport and therefore drug transport was limited by the membrane. Consecutive rate equations were used to model transport of non- surface-active drugs in emulsion systems assuming that the O/W interface acts as a barrier to drug transport. Phenobarbital (PB) and barbital (B) were selected as surface-active model drugs. Phenylazoaniline (PAA) and enzocaine (BZ) were selected as non- surface-active model drugs. Transport studies at pH 7.0 were conducted using side-by-side diffusion cells and bulk equilibrium reverse dialysis bag techniques. According to the surface-active drug model, an increase in micellar concentration is expected to decrease drug-transport rates. Using the Microft EXCEL program, the non- surface-active drug model was fitted to the experimental data for the cumulative amount of the model drug that disappeared from the donor chamber. The oil/continuous phase partitioning rates (k1) and the membrane transport rates (k2) were estimated. The predicted data were consistent with the experimental data for both the surface-active and non- surface-active models.
机译:开发了数学模型来预测三相(油,水和胶束)乳液系统中表面活性和非表面活性药物的运输,其作为胶束浓度的函数。通过比较实验数据和模拟数据评估了这些模型。使用Fick的第一扩散定律与药物与表面活性剂的表面活性或络合性质的关联来得出表面活性药物的转运模型。该传输模型假定油/水(O / W)分配过程比膜传输快,因此药物传输受膜限制。假设O / W界面是药物运输的障碍,则使用连续速率方程对乳液系统中非表面活性药物的运输进行建模。选择苯巴比妥(PB)和巴比妥(B)作为表面活性模型药物。选择苯偶氮苯胺(PAA)和恩佐卡因(BZ)作为非表面活性模型药物。使用并排扩散池和本体平衡反向透析袋技术进行pH值为7.0的运输研究。根据表面活性药物模型,胶束浓度的增加有望降低药物的转运速率。使用Microft EXCEL程序,将非表面活性药物模型拟合到实验数据中,以了解从供体室消失的模型药物的累积量。估计了油/连续相分配率(k1)和膜传输率(k2)。预测数据与表面活性和非表面活性模型的实验数据一致。

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