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

doi:10.1002/anie.200703785

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

School of Engineering & Physical Sciences

Research output: Contribution to journal › Article › peer-review

108 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 language	English
Pages (from-to)	1058-1062
Number of pages	5
Journal	Angewandte Chemie International Edition
Volume	47
Issue number	6
DOIs	https://doi.org/10.1002/anie.200703785
Publication status	Published - 2008

Keywords

Crystal engineering
Gels
Hydrogen bonds
Sonication
Structure elucidation

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Cite this

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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. {\textcopyright} 2008 Wiley-VCH Verlag GmbH \& Co. KGaA.",

keywords = "Crystal engineering, Gels, Hydrogen bonds, Sonication, Structure elucidation",

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year = "2008",

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AU - Anderson, Kirsty M.

AU - Day, Graeme M.

AU - Paterson, Martin J.

AU - Byrne, Peter

AU - Clarke, Nigel

AU - Steed, Jonathan W.

PY - 2008

Y1 - 2008

N2 - (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.

AB - (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.

KW - Crystal engineering

KW - Gels

KW - Hydrogen bonds

KW - Sonication

KW - Structure elucidation

UR - https://www.scopus.com/pages/publications/38849207592

U2 - 10.1002/anie.200703785

DO - 10.1002/anie.200703785

M3 - Article

SN - 1433-7851

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JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

IS - 6

ER -

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

Abstract

Keywords

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