It is important to note that atomistic modeling and simulations are becoming increasingly popular in the field of corrosion inhibition of metal surfaces. In this work, we investigated the adsorption properties and corrosion inhibition efficiencies of some benzothiazole derivatives (ABT, TCHBT, TSCBT) against the corrosion of iron metal using molecular dynamics simulation approach. It is important to note that adsorption and binding energies calculated considering adsorption processes on Fe metal surface of aforementioned inhibitor molecules are in good agreement with experimental data reported earlier.
In the current study, a simple and efficient analytical method for preconcentration and determination of Cd(II), Pb(II), and Sn(II) in some cosmetic samples, using ultrasonic assisted-cloud point extraction and flame atomic absorption spectrometry, was developed. The method is based on the ternary complex formations of Sn(II), Pb(II), and Cd(II), which are available in the form of neutral and/or anionic hydroxo complexes (Sn(OH)$_{3}^{-}$, Pb(OH)$_{3}^{-}$, Cd(OH)$_{2}$, and/or Cd(OH)$_{3}^{-})$, with Victoria Pure Blue BO (VPB$^{+})$ in the presence of cetylpyridinium chloride at pH 8.5, and then extraction of the formed ternary complexes into the micellar phase of polyoxyethylene sorbitan monostearate (Tween 60). Using the optimized conditions, a linear relationship was observed in the ranges of 12-330 $\mu $g L$^{-1}$ for Cd(II), 4-200 $\mu $g L$^{-1}$ for Pb(II), and 1-275 $\mu $g L$^{-1}$ for Sn(II). The detection limits for Cd(II), Pb(II), and Sn(II), respectively, were 3.70, 1.35, and 0.45 $\mu $g L$^{-1}$, with a preconcentration factor of 50, and the precision as relative standard deviations was lower than 4.2% for each analyte. The validity was verified by analysis of two certified reference materials. Finally, the method was successfully applied to the determination of these metals in various cosmetic samples.
A green and innovative ultrasonic-assisted dispersive liquid–liquid microextraction using hydrophilic deep eutectic solvents (UA-HDES-DLLME) was developed for the selective and simultaneous extraction and enrichment of Pb (II) and Cd (II) in water and food samples for flame atomic absorption spectrometry. Several natural deep eutectic solvents (NADES) were used for the preparation of six different HDES and methyl violet was used as chelating reagent. Effective parameters such as pH, sonication time, methyl violet amount, DES type, dispersive solvent types, etc were optimized. Relative standard deviation (RSD) and preconcentration factor (PF) were 4.0% and 80. Low limits of detection (LOD, 1.3 ng mL−1 for Pb (II) and 0.33 ng mL−1 for Cd (II)) and quantification (LOQ, 4.0 ng mL−1 for Pb (II) and 1.0 ng mL−1 for Cd (II)) were found. The method accuracy was confirmed with analyses of certified reference materials.