PMID- 31634657
OWN - NLM
STAT- MEDLINE
DCOM- 20200122
LR  - 20200122
IS  - 1090-2414 (Electronic)
IS  - 0147-6513 (Linking)
VI  - 186
DP  - 2019 Dec 30
TI  - Validating interfacial behaviour of surface-active ionic liquids (SAILs) with 
      computational study integrated with biocidal and cytotoxic assessment.
PG  - 109784
LID - S0147-6513(19)31115-7 [pii]
LID - 10.1016/j.ecoenv.2019.109784 [doi]
AB  - Surface-active ionic liquids (SAILs) belonging to the series of 
      N-alkylmethylimidazolium halides [C(8)mimX] (X = Br, Cl, and BF(4)) and 
      [C(n)mimBr] (n = 10, 12, 14, and 16) were employed to understand the influence of 
      hydrophobicity of alkyl chain length and the chaotropicity of counter-ions of 
      SAILs on the micellization, antimicrobial action and cytotoxicity properties. The 
      micellization phenomenon of SAILs in an aqueous environment was examined 
      employing tensiometry and steady-state fluorescence spectrophotometry. The 
      corresponding interfacial parameters viz., critical micelle concentration (CMC), 
      effectiveness (gamma(CMC)), surface pressure (capital PE, Cyrillic(CMC)), maximum surface excess 
      concentration (capital GHE, Cyrillic(max)), and the minimum area engaged per molecule (A(min)) at the 
      air-water interface were evaluated at 303.15 K. These experimental findings were 
      monitored and geometrically optimized theoretically using Gaussian software to 
      highlight the recent advances in this field of theoretical calculations for 
      putative structure. The simulation descriptors correlated the micellization 
      behavior as a function of hydrophobicity which may contribute to obtaining 
      awareness on their ecological behavior and fate. In addition, the biological 
      screening of all the examined SAILs was undertaken with a combined experimental 
      and theoretical (optimized) method against bacteria and fungus. Results revealed 
      that SAILs with the alkyl chain-length greater than C(8)- act as a fair 
      antimicrobial agent against the selected microbial strain which is attributed to 
      the enhanced degree of SAILs hydrophobicity. The cytotoxicity of these 
      imidazolium-based SAILs was also assessed on the cervical human cell line (HeLa) 
      using the MTT cell viability assay and the data thus obtained were subjected to 
      statistical analysis.
CI  - Copyright (c) 2019 Elsevier Inc. All rights reserved.
FAU - Dani, Unnati
AU  - Dani U
AD  - Department of Zoology, P. T. Sarvajanik College of Science (PTSCS), Surat, 
      395001, Gujarat, India.
FAU - Bahadur, Anita
AU  - Bahadur A
AD  - Department of Zoology, P. T. Sarvajanik College of Science (PTSCS), Surat, 
      395001, Gujarat, India.
FAU - Kuperkar, Ketan
AU  - Kuperkar K
AD  - Applied Chemistry Department, Sardar Vallabhbhai National Institute of Technology 
      (SVNIT), Surat, 395007, Gujarat, India. Electronic address: 
      ketankuperkar@gmail.com.
LA  - eng
PT  - Journal Article
DEP - 20191018
PL  - Netherlands
TA  - Ecotoxicol Environ Saf
JT  - Ecotoxicology and environmental safety
JID - 7805381
RN  - 0 (Anti-Infective Agents)
RN  - 0 (Imidazoles)
RN  - 0 (Ionic Liquids)
RN  - 0 (Micelles)
RN  - 0 (Surface-Active Agents)
RN  - 059QF0KO0R (Water)
SB  - IM
MH  - Anti-Infective Agents/chemistry/pharmacology
MH  - Cell Survival/drug effects
MH  - HeLa Cells
MH  - Humans
MH  - Hydrophobic and Hydrophilic Interactions
MH  - Imidazoles/chemistry
MH  - Ionic Liquids/*chemistry/pharmacology
MH  - Micelles
MH  - Surface-Active Agents/*chemistry/pharmacology
MH  - Water/chemistry
OTO - NOTNLM
OT  - Antimicrobial activity
OT  - Cytotoxicity
OT  - Micellization
OT  - Simulation
OT  - Surface-active ionic liquids (SAILs)
EDAT- 2019/10/22 06:00
MHDA- 2020/01/23 06:00
CRDT- 2019/10/22 06:00
PHST- 2019/08/31 00:00 [received]
PHST- 2019/10/07 00:00 [revised]
PHST- 2019/10/08 00:00 [accepted]
PHST- 2019/10/22 06:00 [pubmed]
PHST- 2020/01/23 06:00 [medline]
PHST- 2019/10/22 06:00 [entrez]
AID - S0147-6513(19)31115-7 [pii]
AID - 10.1016/j.ecoenv.2019.109784 [doi]
PST - ppublish
SO  - Ecotoxicol Environ Saf. 2019 Dec 30;186:109784. doi: 
      10.1016/j.ecoenv.2019.109784. Epub 2019 Oct 18.