Effect of the cross-linker on the general performance and temperature dependent behaviour of a molecularly imprinted polymer catalyst of a Diels-Alder reaction
| dc.contributor.author | Henschel, H. | - |
| dc.contributor.author | Kirsch, N. | - |
| dc.contributor.author | Hedin-Dahlström, J. | - |
| dc.contributor.author | Whitcombe, Michael J. | - |
| dc.contributor.author | Wikman, S. | - |
| dc.contributor.author | Nicholls, I. A. | - |
| dc.date.accessioned | 2011-12-07T23:01:44Z | |
| dc.date.available | 2011-12-07T23:01:44Z | |
| dc.date.issued | 2011-11-01T00:00:00Z | - |
| dc.description.abstract | Here we present a series of molecularly imprinted polymers capable of catalysing the Diels-Alder reaction between benzyl 1,3-butadienylcarbamate (1) and N,N- dimethyl acrylamide (2). The polymer systems studied here demonstrated an unusual cross-linker and temperature dependent behaviour, namely that polymer catalysis of the Diels-Alder reaction was lower at elevated temperature, in contrast to the solution reaction. Furthermore, not only was the catalytic activity significantly influenced by the choice of cross-linker, but in a similar fashion also the extent of the temperature effect, indicating a close relationship between catalysis and the observed inhibition. Molecular dynamics simulations of both the polymer systems studied were used to provide insight into the molecular background of transition state stabilisation, and differences in properties of the systems based on different cross-linkers. | en_UK |
| dc.identifier.citation | Henning Henschel, Nicole Kirsch, Jimmy Hedin-Dahlström, Michael J. Whitcombe, Susanne Wikman, Ian A. Nicholls, Effect of the cross-linker on the general performance and temperature dependent behaviour of a molecularly imprinted polymer catalyst of a Diels-Alder reaction, Journal of Molecular Catalysis B: Enzymatic, Volume 72, Issues 3–4, November 2011, Pages 199–205. | |
| dc.identifier.issn | 1381-1177 | - |
| dc.identifier.uri | http://dx.doi.org/10.1016/j.molcatb.2011.06.006 | - |
| dc.identifier.uri | http://dspace.lib.cranfield.ac.uk/handle/1826/6789 | |
| dc.language.iso | en_UK | - |
| dc.rights | NOTICE: this is the author’s version of a work that was accepted for publication in Journal of Molecular Catalysis B: Enzymatic. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Molecular Catalysis B: Enzymatic, VOL 72, ISSUE 3-4, (2011) DOI:10.1016/j.molcatb.2011.06.006 | |
| dc.subject | Diels–Alder reaction, Molecularly imprinted polymer, Molecular dynamics simulation, Plastic antibody, Transition state analogue | en_UK |
| dc.title | Effect of the cross-linker on the general performance and temperature dependent behaviour of a molecularly imprinted polymer catalyst of a Diels-Alder reaction | en_UK |
| dc.type | Article | - |