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On crystal versus fiber Formation in dipeptide hydrogelator systems
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Houton, Kelly A., Morris, Kyle L., Chen, Lin, Schmidtmann, Marc, Jones, James T. A., Serpell, Louise C., Lloyd, Gareth O. and Adams, Dave J. (2012) On crystal versus fiber Formation in dipeptide hydrogelator systems. Langmuir, 28 (25). pp. 9797-9806. doi:10.1021/la301371q ISSN 0743-7463.
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Official URL: http://dx.doi.org/10.1021/la301371q
Abstract
Naphthalene dipeptides have been shown to be useful low-molecular-weight gelators. Here we have used a library to explore the relationship between the dipeptide sequence and the hydrogelation efficiency. A number of the naphthalene dipeptides are crystallizable from water, enabling us to investigate the comparison between the gel/fiber phase and the crystal phase. We succeeded in crystallizing one example directly from the gel phase. Using X-ray crystallography, molecular modeling, and X-ray fiber diffraction, we show that the molecular packing of this crystal structure differs from the structure of the gel/fiber phase. Although the crystal structures may provide important insights into stabilizing interactions, our analysis indicates a rearrangement of structural packing within the fibers. These observations are consistent with the fibrillar interactions and interatomic separations promoting 1D assembly whereas in the crystals the peptides are aligned along multiple axes, allowing 3D growth. This observation has an impact on the use of crystal structures to determine supramolecular synthons for gelators.
| Item Type: | Journal Article | |||||||||
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| Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Life Sciences (2010- ) | |||||||||
| Library of Congress Subject Headings (LCSH): | X-ray crystallography, Molecules -- Models , X-rays -- Diffraction | |||||||||
| Journal or Publication Title: | Langmuir | |||||||||
| Publisher: | American Chemical Society | |||||||||
| ISSN: | 0743-7463 | |||||||||
| Official Date: | 31 May 2012 | |||||||||
| Dates: |
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| Volume: | 28 | |||||||||
| Number: | 25 | |||||||||
| Page Range: | pp. 9797-9806 | |||||||||
| DOI: | 10.1021/la301371q | |||||||||
| Status: | Peer Reviewed | |||||||||
| Publication Status: | Published | |||||||||
| Funder: | Herchel Smith Chair of Biochemistry Fund | |||||||||
| RIOXX Funder/Project Grant: |
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