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Molecules 2014, 19(7), 10230-10241; doi:10.3390/molecules190710230

QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent Probes

School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, UK
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Received: 16 June 2014 / Revised: 9 July 2014 / Accepted: 10 July 2014 / Published: 15 July 2014
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Abstract

We have studied a number of contemporary and novel membrane probes, selected for their structural similarity to membrane raft components, in order to properly anchor themselves within a sphingolipid/cholesterol rich region. A QM/MM approach was adopted in order to understand the structural and electrostatic influences of fluorescence emission shifts of the probes in different lipid and solvation environments. The proposed modifications to the membrane probes have shown encouraging data relating not only to emission shifts within the membrane, but also their ability to anchor within a membrane raft domain and the stability to internalization within a membrane system. View Full-Text
Keywords: QM/MM; fluorescence; membrane probes; TDDFT; lipid raft QM/MM; fluorescence; membrane probes; TDDFT; lipid raft
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Blake, H.L.; Robinson, D. QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent Probes. Molecules 2014, 19, 10230-10241.

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