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

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 elect...

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Main Authors: Hannah L. Blake, David Robinson
Format: Article
Language:English
Published: MDPI AG 2014-07-01
Series:Molecules
Subjects:
Online Access:http://www.mdpi.com/1420-3049/19/7/10230
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author Hannah L. Blake
David Robinson
author_facet Hannah L. Blake
David Robinson
author_sort Hannah L. Blake
collection DOAJ
description 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.
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spelling doaj.art-653486e2b3354eb6ac3de26cea6106412022-12-22T00:09:01ZengMDPI AGMolecules1420-30492014-07-01197102301024110.3390/molecules190710230molecules190710230QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent ProbesHannah L. Blake0David Robinson1School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, UKSchool of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, UKWe 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.http://www.mdpi.com/1420-3049/19/7/10230QM/MMfluorescencemembrane probesTDDFTlipid raft
spellingShingle Hannah L. Blake
David Robinson
QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent Probes
Molecules
QM/MM
fluorescence
membrane probes
TDDFT
lipid raft
title QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent Probes
title_full QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent Probes
title_fullStr QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent Probes
title_full_unstemmed QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent Probes
title_short QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent Probes
title_sort qm mm studies of contemporary and novel membrane raft fluorescent probes
topic QM/MM
fluorescence
membrane probes
TDDFT
lipid raft
url http://www.mdpi.com/1420-3049/19/7/10230
work_keys_str_mv AT hannahlblake qmmmstudiesofcontemporaryandnovelmembraneraftfluorescentprobes
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