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Additional data: Cavity-Containing Supramolecular Gels as a Crystallization Tool for Hydrophobic Pharmaceuticals Open Access

We present two approaches to low-molecular-weight supramolecular gels bearing hydrophobic cavities based on calixarene-containing building blocks. Gels are formed by either a unimolecular approach involving a calixarene based tetrahydrazide gelator or a co-gel apparoach using a calixarene diammonium salt and a bis-crown ether. The calixarene bowl-shaped hydrophobic cavity is designed to enable the complexation of hydrophobic drug molecules in a generic fashion thus providing an anchor site on the surface of the gel fibre to inititate drug crystal nucleation and growth. In this way the gel and active pharmaceutical ingredient comprise a weakly coupled orthogonally self-assembling system under supersaturation conditions. This technique of non-equilibrium orthogonal self-assembly crystallization potentially represents a route to growth of hard-to-nucleate crystals and alternative polymorphic modifications. The co-gel comprising two components holding together by non-covalent ammonium-crown ether interaction can be easily switched back to the sol state by adding competitive binding cations.

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Resource type

Dataset

Contributors

Creator: Kaufmann, Lena ¹
Data collector: Kaufmann, Lena ¹
Creator: Kennedy, Stuart R. ²
Data collector: Kennedy, Stuart R. ²
Creator: Jones, Christopher D. ²
Data collector: Jones, Christopher D. ²
Creator: Steed, Jonathan W. ²
Contact person: Steed, Jonathan W. ²

¹ Freie Universität Berlin, Germany
² Durham University, UK

Funder

Engineering and Physical Sciences Research Council

Research methods

Other description

Keyword

Crystallography
NMR Spectroscopy
Mass Spectrometry

Subject

Location

Language

English

Cited in

Identifier

ark:/32150/37720c73c

Rights

All rights reserved All rights reserved

Publisher

Durham University

Date Created

2016-05-06

File Details

Depositor

J.W. Steed

Date Uploaded

6 May 2016, 10:05:28

Date Modified

27 June 2016, 13:06:49

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File format: zip (ZIP Format)

Mime type: application/zip

File size: 22823629

Last modified: 2016:06:27 13:25:49+01:00

Filename: Data for Cavity Gels.zip

Original checksum: ccb8ddde9c9c0f7cee9c747db0f8821f