DOI > 10.5291/ILL-DATA.7-05-531

This proposal is publicly available since 03/26/2026

Title

The Effect of Framework Structure and Composition on Molecular Mobility for Controlled Anticancer Drug Release by Zeolites

Abstract

Zeolites are a promising group of materials for use in controlled delivery systems of anticancerdrugs such as 5-Fluorouracil (5-FU) as they are crystalline, relatively cheap and possess channels and cavities that are suitable for the accommodation of different drug molecules. We aim to use quasielastic neutron scattering experiments to determine the mobility rates and mechanisms of 5-FU in zeolite faujasite (FAU), whilst varying the counterion (H+ and Na+) and Si/Al ratio (Si/Al = 5 and 80). Measurements will also be carried out on zeolite Beta, where the Si/Al is kept constant, but the counterion is varied between H+ and NH4+. Experiments on IN16B would probe the relatively slow tranlational diffusion throughout the framework, complementing upcoming experiments on OSIRIS (ISIS) probing faster rotational motions. This will allow for both validation of molecular modelling work carried out so far on 5-FU mobility. The study will result in a detailed understanding of how framework characteristics such as topology, and the nature/concentration of counterions affects molecular mobility of 5-FU in zeolite materials for the development of cheaper, tunable controlled drug dosage forms.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

OMALLEY Alexander; APPEL Markus; MCHUGH Sandra and PORTER Alexander. (2021). The Effect of Framework Structure and Composition on Molecular Mobility for Controlled Anticancer Drug Release by Zeolites. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-05-531

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Metadata

Experiment Parameters

  • Environment temperature

    10 - 400 K
  • Experiment energy

    +/- 250 ueV
  • Experiment moment

    0.2 - 1.5 A-1
  • Experiment res energy

    1 - 8 ueV
  • Experiment res moment

    0.2 A-1

Sample Parameters

  • Formula

    • Zeolite empty / Si5, Al1, O12
    • Zeolite + 5FU / Si5, Al1, O12 (C4, H3, F, N2,O2)