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Mechanisms Underlying Molecularly Imprinted Polymer Molecular Memory and The Role of Crosslinker: Resolving Debate on the Nature of Template Recognition in Phenylalanine Anilide Imprinted Polymers
Linnaeus University, Faculty of Science and Engineering, School of Natural Sciences. (BBCL)ORCID iD: 0000-0003-4037-1992
Linnaeus University, Faculty of Science and Engineering, School of Natural Sciences. (BBCG ; PPL ; BMC)ORCID iD: 0000-0002-7392-0591
Linnaeus University, Faculty of Science and Engineering, School of Natural Sciences. (BBCL)
Linnaeus University, Faculty of Science and Engineering, School of Natural Sciences. (BBCG)ORCID iD: 0000-0002-2042-4818
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2012 (English)In: Journal of Molecular Recognition, ISSN 0952-3499, E-ISSN 1099-1352, Vol. 25, no 2, p. 69-73Article in journal (Refereed) Published
Abstract [en]

A series of molecular dynamics simulations of prepolymerization mixtures for phenylalanine anilide imprinted co-(ethylene glycol dimethacrylate-methacrylic acid) molecularly imprinted polymers have been employed to investigate the mechanistic basis for template selective recognition in these systems. This has provided new insights on the mechanisms underlying template recognition, in particular the significant role played by the crosslinking agent. Importantly, the study supports the occurrence of template self-association events that allows us to resolve debate between the two previously proposed models used to explain this system's underlying recognition mechanisms. Moreover, the complexity of the molecular level events underlying template complexation is highlighted by this study, a factor that should be considered in rational molecularly imprinted polymer design, especially with respect to recognition site heterogeneity.

Place, publisher, year, edition, pages
2012. Vol. 25, no 2, p. 69-73
National Category
Organic Chemistry Polymer Chemistry
Research subject
Chemistry, Organic Chemistry
Identifiers
URN: urn:nbn:se:lnu:diva-16737DOI: 10.1002/jmr.2147ISI: 000299632600001PubMedID: 22290767Scopus ID: 2-s2.0-84856485453OAI: oai:DiVA.org:lnu-16737DiVA, id: diva2:476452
Available from: 2012-01-12 Created: 2012-01-12 Last updated: 2022-03-17Bibliographically approved
In thesis
1. Towards Rational Molecularly Imprinted Polymer Design Using Molecular Dynamics-based Strategies
Open this publication in new window or tab >>Towards Rational Molecularly Imprinted Polymer Design Using Molecular Dynamics-based Strategies
2014 (English)Doctoral thesis, comprehensive summary (Other academic)
Place, publisher, year, edition, pages
Linnaeus University Press, 2014. p. 78
Series
Linnaeus University Dissertations ; 165
National Category
Organic Chemistry
Research subject
Chemistry, Organic Chemistry
Identifiers
urn:nbn:se:lnu:diva-110831 (URN)9789187427794 (ISBN)
Public defence
2014-05-09, N2007, Västergård, 10:00 (English)
Opponent
Supervisors
Available from: 2022-03-16 Created: 2022-03-16 Last updated: 2022-06-17Bibliographically approved
2. Modelling of molecular interactions in mixtures: fundamental studies and applications
Open this publication in new window or tab >>Modelling of molecular interactions in mixtures: fundamental studies and applications
2014 (English)Doctoral thesis, comprehensive summary (Other academic)
Place, publisher, year, edition, pages
Linnaeus University Press, 2014. p. 75
Series
Linnaeus University Dissertations ; 205
National Category
Physical Chemistry
Research subject
Chemistry, Physical Chemistry
Identifiers
urn:nbn:se:lnu:diva-110843 (URN)9789187925412 (ISBN)
Public defence
2015-01-30, N2007, Norrgård, Kalmar, 09:30 (English)
Opponent
Supervisors
Available from: 2022-03-17 Created: 2022-03-17 Last updated: 2024-02-08Bibliographically approved

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Olsson, Gustaf D.Karlsson, Björn C. G.Shoravi, SiamakWiklander, Jesper G.Nicholls, Ian A.

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