Effect of cetrimonium carrier micelles on bacterial membranes and extracellular DNA, an in silico study.

Microorganisms do not live as dispersed single cells but rather they form aggregates with extracellular polymeric substances at interfaces. Biofilms are considered efficient life forms because they shield bacteria from biocides and collect dilute nutrients. This is a big concern in industry since the microorganisms can colonize a wide range of surfaces, accelerating material deterioration, colonizing medical devices, contaminating ultrapure drinking water, increasing energy costs and creating focus of infection.

Modelling cetrimonium micelles as 4-OH cinnamate carriers targeting a hydrated iron oxide surface.

Hypothesis: Molecular interactions between 4-OH-cinnamate and cetrimonium in solution result in improved adsorption of the cinnamate on mild steel, developing a protective mechanism against the diffusion of corrosive chloride to the oxide surface. Fundamental understanding of this mechanism should allow new design routes for the development of eco-friendly corrosion inhibitors.

Experiments: Via classic molecular dynamics, simulations were carried out for cetrimonium and 4-OH-cinnamate in aqueous solutions at different ionic strengths and the results were validated with experimental SAXS data.

Electrochemical and Surface Characterization Study on the Corrosion Inhibition of Mild Steel 1030 by the Cationic Surfactant Cetrimonium Trans-4-hydroxy-cinnamate.

Effective corrosion inhibition of mild steel 1030 at 0.01 M NaCl concentration was achieved by the use of the nontoxic surfactant salt cetrimonium trans-4-hydroxy-cinnamate (CTA-4OHcinn). Polarization analysis on the steel samples immersed for 24 h in the control and CTA-4OHcinn-containing solutions shows the development of a passivation potential that is more obvious at higher inhibitor concentrations along with a maximum inhibition efficiency of 97.

Corrosion Inhibition of Mild Steel by Cetrimonium -4-Hydroxy Cinnamate: Entrapment and Delivery of the Anion Inhibitor through Speciation and Micellar Formation.

Chemical inhibitors are widely used to protect metallic alloys from corrosion in aqueous environments. This Letter investigates the possible synergistic behavior of a quaternary ammonium carboxylate compound toward the development of a new system taking advantage of the surface activity of a known antimicrobial surfactant molecule, hexadecyl trimethylammonium cation, combined with a known organic corrosion inhibitor, the -4-hydroxy-cinnamate anion. Short-term potentiodynamic polarization (PP) studies combined with immersion in aqueous chloride solutions demonstrated the high inhibition efficiency of the combination of ions, and NMR pfg-diffusion measurements revealed micellar formation that was concentration- and pH-dependent.