About: Predicting the antimicrobial efficacy of hydrogen bonded, self‐associating amphiphiles

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type	http://eprints.org/ontology/ArticleEPrint http://eprints.org/ontology/ArticleEPrint http://eprints.org/ontology/EPrint http://eprints.org/ontology/EPrint Article Article Academic Article Academic Article
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Title	Predicting the antimicrobial efficacy of hydrogen bonded, self‐associating amphiphiles Predicting the antimicrobial efficacy of hydrogen bonded, self‐associating amphiphiles
described by	https://demo.openlinksw.com/about/id/entity/https/www.cs.kent.ac.uk/people/staff/akj22/materials/CO644/export_kar_RDFN3.n3 https://demo.openlinksw.com/about/id/entity/https/raw.githubusercontent.com/annajordanous/CO644Files/main/export_kar_RDFN3.n3
Date	2020-09-15 2020-09-15
Creator	Jessica E. Boles Jessica E. Boles Rebecca J. Ellaby Rebecca J. Ellaby Nyasha Allen Nyasha Allen Kendrick K. L. Ng Kendrick K. L. Ng Lisa J. White Lisa J. White George T. Williams George T. Williams B. Wilson B. Wilson Dominique Chu Dominique Chu Daniel P. Mulvihill Daniel P. Mulvihill H.J. Shepherd H.J. Shepherd Jennifer R. Hiscock Jennifer R. Hiscock Laura R. Blackholly Laura R. Blackholly
status	peer reviewed peer reviewed published published
Publisher	Wiley Wiley
abstract	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. 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.
Is Part Of	ChemMedChem ChemMedChem https://kar.kent.ac.uk/id/repository https://kar.kent.ac.uk/id/repository
Subject	Q Science Q Science QD Chemistry QD Chemistry QR Microbiology QR Microbiology
list of authors	https://kar.kent.ac.uk/id/eprint/82922#authors https://kar.kent.ac.uk/id/eprint/82922#authors
is topic of	https://www.cs.kent.ac.uk/people/staff/akj22/materials/CO644/export_kar_RDFN3.n3 https://raw.githubusercontent.com/annajordanous/CO644Files/main/export_kar_RDFN3.n3
is primary topic of	HTML Summary of #82922 Predicting the antimicrobial efficacy of hydrogen bonded, self‐associating amphiphiles HTML Summary of #82922 Predicting the antimicrobial efficacy of hydrogen bonded, self‐associating amphiphiles

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