title: Effect of imidazolium-based ionic liquids on bacterial growth inhibition investigated via experimental and QSAR modelling studies.
abstract: Tuning the characteristics of solvents to fit industrial requirements has currently become a major interest in both academic and industrial communities, notably in the field of room temperature ionic liquids (RTILs), which are considered one of the most promising green alternatives to molecular organic solvents. In this work, several sets of imidazolium-based ionic liquids were synthesized, and their toxicities were assessed towards four human pathogens bacteria to investigate how tunability can affect this characteristic. Additionally, the toxicity of particular RTILs bearing an amino acid anion was introduced in this work. EC50 values (50% effective concentration) were established, and significant variations were observed; although all studied ILs displayed an imidazolium moiety, the toxicity values were found to vary between 0.05 mM for the most toxic to 85.57 mM for the least toxic. Linear quantitative structure activity relationship models were then developed using the charge density distribution (σ-profiles) as molecular descriptors, which can yield accuracies as high as 95%.
authors.affiliation: Faculty of Chemical Engineering, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak, Malaysia. Electronic address: wahidghanem@gmail.com.
authors.forename: Ouahid Ben
authors.initials: OB
authors.lastname: Ghanem
authors.affiliation: Faculty of Chemical Engineering, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak, Malaysia.
authors.forename: M I Abdul
authors.initials: MI
authors.lastname: Mutalib
authors.affiliation: Chemical Engineering Department, King Saud University, Riyadh 11421, Saudi Arabia.
authors.forename: Mohanad
authors.initials: M
authors.lastname: El-Harbawi
authors.affiliation: Faculty of Chemical Engineering, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak, Malaysia.
authors.forename: Girma
authors.initials: G
authors.lastname: Gonfa
authors.affiliation: Fundamental & Applied Sciences Department, Universiti Teknologi PETRONAS, 31750 Bandar Seri Iskandar, Tronoh, Perak, Malaysia.
authors.forename: Chong Fai
authors.initials: CF
authors.lastname: Kait
authors.affiliation: Department of Cell and Molecular Biology, Faculty of Biotechnology and Biomolecular Sciences, Universiti Putra Malaysia, 43400 Serdang, Selangor, Malaysia.
authors.forename: Noorjahan Banu Mohamed
authors.initials: NB
authors.lastname: Alitheen
authors.affiliation: Fundamental & Applied Sciences Department, Universiti Teknologi PETRONAS, 31750 Bandar Seri Iskandar, Tronoh, Perak, Malaysia. Electronic address: jm.leveque@petronas.com.my.
authors.forename: Jean-Marc
authors.initials: JM
authors.lastname: Leveque
mesh_terms: D016980:Aeromonas hydrophila / Q000187:drug effects / Q000254:growth & development; D000838:Anions; D000890:Anti-Infective Agents / Q000737:chemistry; D002412:Cations; D004926:Escherichia coli / Q000187:drug effects / Q000254:growth & development; D005839:Gentamicins / Q000737:chemistry; D007093:Imidazoles / Q000737:chemistry*; D052578:Ionic Liquids / Q000737:chemistry*; D016014:Linear Models; D008089:Listeria monocytogenes / Q000187:drug effects / Q000254:growth & development; D008826:Microbial Sensitivity Tests; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D015203:Reproducibility of Results; D012997:Solvents / Q000737:chemistry; D013211:Staphylococcus aureus / Q000187:drug effects / Q000254:growth & development
chemical_list: D000838:Anions; D000890:Anti-Infective Agents; D002412:Cations; D005839:Gentamicins; D007093:Imidazoles; D052578:Ionic Liquids; D012997:Solvents
keywords: Antimicrobial activity (EC50); Ionic liquids; Molecular descriptor; QSAR; Synthesis