Correlating dynamical molecular behaviour with controlled anti-cancer drug release from zeolite H-ZSM5

Zeolites are crystalline porous materials ideal for use as drug delivery systems as they are sustainable, recyclable, and can house drug molecules of interest. We aim to perform the first QENS experiments probing the mobility of 5FU in H-ZSM-5 zeolites while varying the Si/Al ratio and therefore the Br�nsted acid density to determine its effect on drug mobility. We will study the mobility of 5FU in zeolites H-ZSM-5 (Si/Al = 15, 40 and 140) at body temperature (310 K). This will allow for both validation of classical molecular dynamics studies probing 5FU mobility in zeolites carried out so far, and for a detailed understanding of how framework characteristics such as Si/Al ratio affect molecular behaviour of 5FU, crucial for the design and optimisation of affordable and precisely controlled release dosage forms of anticancer drugs.

沸石是结晶多孔材料，因其可持续、可回收且能容纳目标药物分子，是理想的药物递送系统（drug delivery systems）材料。我们旨在开展首次准弹性中子散射（QENS）实验，探究5-氟尿嘧啶（5FU）在H-ZSM-5沸石中的迁移性；实验中通过改变硅铝比（Si/Al ratio），从而改变布朗斯台德酸（Brønsted acid）密度，以确定其对药物迁移性的影响。我们将在体温（310 K）下研究5FU在H-ZSM-5沸石（Si/Al比为15、40及140）中的迁移性。这不仅能验证迄今为止开展的、探究沸石中5FU迁移性的经典分子动力学（classical molecular dynamics）研究，还能深入理解硅铝比等骨架特征如何影响5FU的分子行为——这对设计和优化经济且精准控释的抗癌药物剂型至关重要。