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Principal component analysis of the influence of solvent properties on molecularly imprinted polymer–ligand rebinding
Linnaeus University, Faculty of Science and Engineering, School of Natural Sciences. (BBCL)
Linnaeus University, Faculty of Science and Engineering, School of Natural Sciences. (BBCL)ORCID iD: 0000-0002-0413-2735
Linnaeus University, Faculty of Science and Engineering, School of Natural Sciences. (BBCL)
Linnaeus University, Faculty of Science and Engineering, School of Natural Sciences. (BBCL)ORCID iD: 0000-0002-0407-6542
2010 (English)Conference paper, (Refereed)
Abstract [en]

Molecular imprinting is a technique for creating polymeric recognition materials with predetermined ligand selectivities.1 A molecularly imprinted polymer (MIP) with selectivity for the local anaesthetic bupivacaine has been synthesised in order to examine the physical mechanisms underlying MIP–ligand recognition characteristics. As rebinding characteristics has shown to be complex, we use chemometric strategies for the analysis of ligand-MIP binding in various media.2-4 The use of chemometrics simplify the selection of optimal experimental parameters as well as the extraction of significant information generated from multivariate data analysis.5

Previously we have presented results from a chemometric analysis pointing at a complex non-linear relationship when studying binding of bupivacaine to the MIP in different solvent mixtures and at different temperatures.6 The results motivated an investigation into the significance of the solvent physical characteristics (molecular and bulk) on rebinding properties. In this work, principal component analysis was employed to identify the factors with the greatest influence on binding. While the dielectric constant made a significant contribution to describing the observed binding, the influence of polarity as reflected in the Snyder polarity index was also demonstrated to make a significant contribution. The use of solvents containing hydroxyl functionality was observed to exert unique effects on recognition. The variation in solvent influence on binding at constant dielectricity motivates more complex analyses when studying MIP-ligand recognition. Collectively, the results provided general insights concerning the complex interplay between the mechanisms controlling ligand recognition in MIPs.

 

References

  1. Alexander, C.; Andersson, H.S.; Andersson, L.I.; Ansell, R.J.; Kirsch, N.; Nicholls, I.A.; O’Mahony, J.; Whitcombe, M.J. Journal of Molecular Recognition 2006, 19, 106-180.
  2. Andersson, L.I. Analyst 2000, 125, 1515-1517.
  3. Karlsson, J.G.; Andersson, L.I.; Nicholls, I.A. Analytica Chimica Acta 2001, 435, 57-64.
  4. Karlsson, J.G.; Karlsson, B.; Andersson, L.I.; Nicholls, I.A. Analyst 2004, 129, 456-462.
  5. Nicholls, I.A.; Andersson, H.S.; Charlton, C.; Henschel, H.; Karlsson, B.C.G.; Karlsson, J.G.; O’Mahony, J.; Rosengren, A.M.; Rosengren, K.J.; Wikman, S. Biosensors and Bioelectronics 2009, 25, 543-552.
  6. Rosengren, A.M.; Karlsson, J.G.; Andersson, P.O.; Nicholls, I.A. Analytical Chemistry 2005, 77, 5700-5705.
Place, publisher, year, edition, pages
2010.
National Category
Organic Chemistry
Research subject
Natural Science, Organic Chemistry
Identifiers
URN: urn:nbn:se:lnu:diva-6721OAI: oai:DiVA.org:lnu-6721DiVA: diva2:329034
Conference
8th European Conference on Computational Chemistry, Lund
Available from: 2010-07-07 Created: 2010-07-07 Last updated: 2016-11-11Bibliographically approved

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Rosengren, Annika M.Golker, KerstinWiklander, Jesper G.Nicholls, Ian A.
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CiteExportLink to record
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