Exploring deep insights into the interaction mechanism of a quinazoline derivative with mild steel in HCl: electrochemical,DFT, and molecular dynamic simulation studies

A novel quinazoline derivative, 3-cyclopropyl-3,4-dihydroquinoline-2(1H)-One (CPHQ), was successfully designed and synthesized. Then, its corrosion inhibition behavior on carbon steel (CS) surface in 1.0?M HCl at different temperatures was investigated using chemical, electrochemical and theoretical techniques. The experiments confirmed that the studied inhibitor shows inhibition efficiency as high as 95% even at very low concentration of 5?×?10^?3 M. To ascertain the nature of adsorption of CPHQ molecules on CS surface, Langmuir adsorption isotherm model was best fitted. From potentiodynamic polarization (PDP) calculations, it was concluded that the CPHQ acted as a mixed type corrosion inhibitor. Electrochemical impedance spectroscopy (EIS) studies revealed that increase in CPHQ concentration, resulted in an increase in the polarization resistance with a simultaneous decrease in the double-layer capacitance values. PDP tests were also performed to understand the corrosion behavior of CS as a function of temperature without and with varying concentrations of CPHQ, at temperatures 303, 313, 323, and 333?K. It can be concluded that the corrosion inhibition effect was dependent on the concentration of the inhibitor and the solution temperature. In order to understand the basic insights of the action mode of CPHQ molecules, Density Functional Theory (DFT) method, and Molecular Dynamic (MD) simulations were also employed on the optimized structure of CPHQ.     

Aloe vera-based antibacterial porous sponges for wound dressing applications

Journal of Porous Materials - The antibacterial sponges with high macroporosity, high interconnectivity and high biocompatibility is a significant concern for wound healing applications. In this...     

Bio-/Environment-Friendly Cationic Gemini Surfactant as Novel Corrosion Inhibitor for Mild Steel in 1 M HCl Solution

Bio-/environment-friendly cationic gemini surfactant, ethane-1,2-diyl bis(N,N-dimethyl-N-hexadecylammoniumacetoxy)dichloride, referred to as 16-E2-16, was synthesized and characterized. Corrosion inhibition effects of 16-E2-16 on mild steel (MS) surface in 1 M HCl solution at 30, 40, 50 and 60 °C were evaluated using gravimetric analysis, potentiodynamic polarisation and electrochemical impedance spectroscopy measurements. The nature of the protective inhibitor film formed on the MS surface was analysed by SEM, EDAX and FT-IR, while TGA was used to assure the thermal behaviour and stability of the film at high temperature. The formation of [inhibitor-Fe²⁺] on the surface of MS was confirmed by UV–visible spectroscopy. The inhibition efficiency of the studied inhibitor increased with increasing concentration and solution temperature. The compound behaved as a mixed type inhibitor and acted by blocking the electrode surface by means of adsorption obeying the Langmuir adsorption isotherm. Surface active properties and corrosion inhibition effects of 16-E2-16 in the presence of inorganic (NaI) and organic (NaSal) salts were also investigated and are discussed. Density functional theory calculations have been carried out to correlate the efficiency of the compound with its intrinsic molecular parameters.     

Controlling tip–sample interaction forces during a single tap for improved topography and mechanical property imaging of soft materials by AFM

We introduce a method that exploits the “active” nature of the force-sensing integrated readout and active tip (FIRAT), a recently introduced atomic force microscopy (AFM) probe, to control the interaction forces during individual tapping events in tapping mode (TM) AFM. In this method the probe tip is actively retracted if the tip–sample interaction force exceeds a user-specified force threshold during a single tap while the tip is still in contact with the surface. The active tip control (ATC) circuitry designed for this method makes it possible to control the repulsive forces and indentation into soft samples, limiting the repulsive forces during the scan while avoiding instability due to attractive forces. We demonstrate the accurate topographical imaging capability of this method on suitable samples that possess both soft and stiff features.     

Health risk assessment of volatile organic compounds at daycare facilities

Children are particularly vulnerable to many classes of the volatile organic compounds (VOCs) detected in indoor environments. The negative health impacts associated with chronic and acute exposures of the VOCs might lead to health issues such as genetic damage, cancer, and disorder of nervous systems. In this study, 40 VOCs including aldehydes and ketones, aliphatic hydrocarbons, esters, aromatic hydrocarbons, cyclic terpenes, alcohols, and glycol ethers were identified and qualified in different locations at the University of Missouri (MU) Child Development Laboratory (CDL) in Columbia, Missouri. Our results suggested that the concentrations of the VOCs varied significantly among classrooms, hallways, and playground. The VOCs emitted from personal care and cleaning products had the highest indoor levels (2-ethylhexanol-1, 3-carene, homomenthyl salicylate with mean concentration of 5.15 µg/m³, 1.57 µg/m³, and 1.47 µg/m³, respectively). A cancer risk assessment was conducted, and none of the 95th percentile dose estimates exceeded the age-specific no significant risk levels (NSRL) in all classrooms. Dimensionless toxicity index scores were calculated for all VOCs using a novel web-based framework called Toxicological Prioritization Index (ToxPi), which integrates multiple sources of toxicity data. According to the method, homomenthyl salicylate, benzothiazole, 2-ethylhexyl salicylate, hexadecane, and tridecane exhibited diverse toxicity profiles and ranked as the five most toxic indoor VOCs. The findings of this study provide critical information for policy makers and early education professionals to mitigate the potentially negative health impacts of indoor VOCs in the childcare facilities.     

Coating of modified poly(ethylene terephthalate) fibers with sericin-capped silver nanoparticles for antimicrobial application

Polymer Bulletin - In this work, a kind of amine-type PET fibers was synthesized by reacting hexamethylenediamine (HMDA) with methacrylic acid-g-poly(ethylene terephthalate) (PET-g-MAA) fibers for...     

Toward the development of an innovative descaling and corrosion inhibiting solutions to protect mild steel equipment: an experimental and theoretical approach

Abstract

This work proposes a mixture of sulfamic and perchloric acids as a descaling solution and cetyltrimethyl ammonium bromide (CTAB) and imidazole for the improvement in the corrosion resistance of mild steel. The experiments were carried out at different temperatures using mass loss and electrochemical techniques. The samples were characterized by inductively coupled plasma spectrometry, SEM-EDS, and X-ray diffraction techniques. The study showed that CTAB and imidazole can serve as the efficient corrosion inhibitors for mild steel in descaling solution and were found to follow the model of Langmuir adsorption isotherm. Potentiodynamic polarization was performed at temperature 295, 305, 315, and 325?K, and it can be concluded that the CTAB/imidazole acted as mixed type corrosion inhibitors. Electrochemical impedance spectroscopy studies revealed that increase in imidazole concentration, resulted into the increased polarization resistance with simultaneous lowering of double-layer capacitance values. Computational techniques were used to support experimental results.