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dcterms:title
Predicting the antimicrobial efficacy of hydrogen bonded, self‐associating amphiphiles
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2020-09-15
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n4:ext-038ebd7bac25bb475e02b44d18d9264e n4:ext-10f382af7dd1ec28ca75b830ca63dcbd n4:ext-h.j.shepherd@kent.ac.uk n4:ext-3fe71283fd3d0e31fabdd2f407a505c3 n4:ext-lrb29@kent.ac.uk n4:ext-d.f.chu@kent.ac.uk n4:ext-j.r.hiscock@kent.ac.uk n4:ext-d.p.mulvihill@kent.ac.uk n4:ext-56f9c35da5384893f9c64cde1999051d n4:ext-91636027d6fddc5d24c78341e2af3373 n4:ext-030a50d4a7142cc6612098467c040219 n4:ext-bfa7cb37a651076524466708737fff58
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Herein, we report 50 structurally related supramolecular self‐associating amphiphilic (SSA) salts and related compounds. These SSAs are shown to act as antimicrobial agents, active against model Gram‐positive (Methicillin‐Resistant Staphylococcus aureus ) and/or Gram‐negative ( Escherichia coli ) bacteria of clinical interest. Through a combination of solution state, gas phase, solid state and in silico measurements we determine 14 different physicochemical parameters for each of these 50 structurally related compounds. These parameter sets are then used to identify molecular structure – physicochemical property – antimicrobial activity relationships for our model Gram‐negative and Gram‐positive bacteria, while simultaneously providing insight towards the elucidation of SSA mode of antimicrobial action.
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