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Influence of composition and morphology on template recognition in molecularly imprinted polymers
Linnaeus University, Faculty of Health and Life Sciences, Department of Chemistry and Biomedical Sciences.ORCID iD: 0000-0002-0413-2735
Linnaeus University, Faculty of Health and Life Sciences, Department of Chemistry and Biomedical Sciences. (PPL ; BMC)ORCID iD: 0000-0002-7392-0591
Linnaeus University, Faculty of Health and Life Sciences, Department of Chemistry and Biomedical Sciences.ORCID iD: 0000-0003-4037-1992
Linnaeus University, Faculty of Health and Life Sciences, Department of Chemistry and Biomedical Sciences.
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2013 (English)In: Macromolecules, ISSN 0024-9297, E-ISSN 1520-5835, Vol. 46, no 4, 1408-1414 p.Article in journal (Refereed) Published
Abstract [en]

A combination of theoretical and experimental studies has provided correlations between molecularly imprinted polymer composition, morphology, and recognition behavior obtained using a series of bupivacaine-imprinted methacrylic acid (MAA)–ethylene glycol dimethacrylate copolymers differing in molar ratios of the respective monomers. Results extracted from analysis of molecular dynamics (MD) trajectory data demonstrated that stability and frequency of interactions between bupivacaine and the monomers in the prepolymerization phase were strongly affected by minor changes in polymer composition, which in turn affected binding site affinity and heterogeneity of the imprinted polymers. Moreover, through the characterization of polymer morphology, we show that higher molar fractions of MAA resulted in polymeric materials with increased pore size, a feature that enhanced the binding capacity of the polymers. Furthermore, the results presented point at the strength of MD for predicting MIP-template binding capacity and affinity.

Place, publisher, year, edition, pages
2013. Vol. 46, no 4, 1408-1414 p.
National Category
Chemical Sciences
Research subject
Chemistry, Organic Chemistry
Identifiers
URN: urn:nbn:se:lnu:diva-24758DOI: 10.1021/ma3024238ISI: 000315618800019OAI: oai:DiVA.org:lnu-24758DiVA: diva2:610618
Available from: 2013-03-12 Created: 2013-03-12 Last updated: 2017-02-16Bibliographically approved

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Golker, KerstinKarlsson, Björn C. G.Olsson, Gustaf D.Rosengren, Annika M.Nicholls, Ian A.
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CiteExportLink to record
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