节点文献
pH响应性弱聚电解质水凝胶的溶胀及药物释放过程的数值模拟
Numerical simulations of swelling and drug release behaviors of pH-responsive weak polyelectrolyte hydrogels
【Author】 Yabo Liu;Yihan Xu;Yuxi Jia;Key Laboratory for Liquid-Solid Structural Evolution & Processing of Materials(Ministry of Education),Shandong University;
【机构】 山东大学材料液固结构演变与加工教育部重点实验室;
【摘要】 水凝胶因其具有良好的生物相容性可以用作药物载体,通过调控凝胶溶胀和降解动力学过程可以有效控制药物从水凝胶基体中释放的速率、时间和部位,从而达到控制释药的目的。在药物控释领域,p H响应性弱聚电解质水凝胶具有很好的应用前景,因此受到了广泛的关注。虽然目前已有不少这方面的研究,但是p H响应性水凝胶载体的释药过程复杂,定量描述该过程的数学模型并不多。因此,本工作基于Flory经典热力学理论和多相混合理论,建立p H响应性弱聚电解质水凝胶的溶胀释药的数学模型,利用有限元软件COMSOL Multiphysics V4.3a对弱聚电解质水凝胶在不同p H溶液中的溶胀释药过程进行数值模拟,研究了弱聚电解质水凝胶释药过程中各物理量的演变规律、药物释放机制及缓控释调控因素。将弱聚电解质载药水凝胶在不同p H的外界溶液中的释药过程进行数值模拟,部分数值模拟结果如图1所示。由图1可见,弱聚电解质载药水凝胶的释药速率由于外界溶液p H的不同而发生变化。在同一时间点随着外界溶液p H的升高,载药水凝胶释药率逐渐上升。这是因为不同p H溶液中的氢离子浓度不同,因此弱聚电解质水凝胶上弱酸性基团在不同p H条件下的可逆电离程度不同,导致凝胶内固定离子浓度的不同,进而影响凝胶的溶胀程度,最终导致载药水凝胶在不同p H条件下的释药率不同。
【Abstract】 Because of its good biocompatibility,hydrogel can be used as a drug carrier.Hydrogel can effectively control the rate of drug release from the hydrogel matrix by regulating the swelling and degradation kinetics.In the research field of controlled drug release,p H-responsive weak polyelectrolyte hydrogels have a very good prospect,and currently receive extensive attention.However,the process of drug release in p H-responsive weak polyelectrolyte hydrogels is so complicated that few mathematical models can quantitatively describe it.Therefore,based on the Flory classical thermodynamic theory and multiphasic mixture theory,we study the drug release process from swelling hydrogels by establishing a mathematical model and implementing it by means of COMSOL Multiphysics V4.3a software.We perform numerical simulations on the process of drug release from weak polyelectrolyte hydrogels in solutions with different p H,and the numerical simulation result drug release amount ratio over time with different p H conditions,is shown in Fig.1.As can be seen from Fig.1,the drug release amount ratios are increasing over time for different p H conditions.And for the same time period,the drug release amount ratio increases with the increase of p H.This is because solutions with different p H have different hydrogen ion concentrations,resulting in different fixed ion concentration in the hydrogel.Therefore,the drug release amount ratios are different in solutions with different p H.
- 【会议录名称】 中国化学会2014年大分子体系理论、模拟与计算研讨会论文集
- 【会议名称】中国化学会2014年大分子体系理论、模拟与计算研讨会
- 【会议时间】2014-06-18
- 【会议地点】中国吉林长春
- 【分类号】O648.17;TQ460.1
- 【主办单位】中国化学会高分子学科委员会、中国化学会计算机化学专业委员会