Structure calculation of an elastic hydrogel from sonication of rigid small molecule components

Kirsty M. Anderson, Graeme M. Day, Martin J. Paterson, Peter Byrne, Nigel Clarke, Jonathan W. Steed

Research output: Contribution to journalArticle

100 Citations (Scopus)

Abstract

(Chemical Equation Presented) Making plans for hydrogels: Calculations successfully predict the molecular structure of a robust hydrogel. Melamine and uric acid cocrystallize with water upon sonication, and using experimental data, the minimized structure (see picture) was calculated and successfully compared with powder X-ray diffraction data of the xerogel. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

Original languageEnglish
Pages (from-to)1058-1062
Number of pages5
JournalAngewandte Chemie International Edition
Volume47
Issue number6
DOIs
Publication statusPublished - 2008

Keywords

  • Crystal engineering
  • Gels
  • Hydrogen bonds
  • Sonication
  • Structure elucidation

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