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Simulation of imprinted emulsion prepolymerization mixtures
Linnaeus University, Faculty of Health and Life Sciences, Department of Chemistry and Biomedical Sciences. (BBCL ; BMC)ORCID iD: 0000-0003-4037-1992
Fraunhofer Inst Interfacial Engn & Biotechnol IGB, Germany..
Fraunhofer Inst Interfacial Engn & Biotechnol IGB, Germany ; Univ Stuttgart, Inst Interfacial Engn & Plasmatechnol IGVT, Germany.
Linnaeus University, Faculty of Health and Life Sciences, Department of Chemistry and Biomedical Sciences. Linnaeus University Centre for Biomaterials Chemistry. (CCBG ; PPL ; BMC)ORCID iD: 0000-0002-7392-0591
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2015 (English)In: Polymer journal, ISSN 0032-3896, E-ISSN 1349-0540, Vol. 47, no 12, p. 827-830Article in journal (Refereed) Published
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Abstract [en]

The aim of this study was to develop protocols for and evaluate the use of all-atom full system molecular dynamic (MD) simulations of emulsion systems in the development of molecularly imprinted polymers (MIPs). Here, we report on the first, to the best of our knowledge, use of all-component MD studies to simulate and evaluate MIP miniemulsion prepolymerization mixtures; in this case, the mixtures used in the synthesis of a series of MIP-nanoparticles (MIP-NPs).

Place, publisher, year, edition, pages
2015. Vol. 47, no 12, p. 827-830
National Category
Organic Chemistry
Research subject
Chemistry, Organic Chemistry
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URN: urn:nbn:se:lnu:diva-48813DOI: 10.1038/pj.2015.63ISI: 000366047900008Scopus ID: 2-s2.0-84949442668OAI: oai:DiVA.org:lnu-48813DiVA, id: diva2:895440
Available from: 2016-01-19 Created: 2016-01-15 Last updated: 2017-11-30Bibliographically approved

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

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