Corrosion prevention of mild steel in acidic medium by 2-Pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid: Theoretical and experimental approach

The inhibition efficiency of 2-Pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid (PTCA) against mild steel (MS) corrosion was investigated in acidic solution by using quantum chemical calculations based on Density Functional Theory (DFT) method and electrochemical measurements. The electrochemical impedance spectroscopy (EIS), potentiodynamic, potential zero charge (pzc) analysis and electrochemical noise (EN) measurements at various concentrations (from 0.1 to 10 mM) and immersion times were utilized in experimental part. The surface analysis was achieved scanning electron microscope (SEM) and contact angle measurements in the absence and presence of 10 mM PTCA. According to DFT results, PTCA exhibited 3.737 eV band gap and 8.130 Debye dipole moment which were a signal of potentially convenient corrosion inhibitor properties. PTCA has a remarkable corrosion inhibition capability to mild steel, which inhibited both anodic and cathodic corrosion rates, relying on it's physically adsorption on the metal solution interface and protection ability was increased with increasing PTCA concentration. The obtained adsorption equilibrium constant was 11.11 × 10³ M^-1 and calculated standard free energy of adsorption was ?33.03 kJ mol^?1. The determined activation energy values were 55.58 kJ mol^?1 and 96.86 kJ mol^?1 in 0.5 M HCl in the absence and presence of 10 mM PTCA, respectively. PTCA demonstrated a strong inhibition efficiency of 98.3%, after 168 h immersion, according to the EIS results. As a consequently, we recommend that PTCA is a convenient inhibitor in 0.1 M HCl for mild steel protection against corrosion.     

Asymmetrically tetra-substituted phthalocyanine derivatives: synthesis,photophysical and photochemical properties

Transition Metal Chemistry - The syntheses of highly soluble asymmetrically substituted metal free and zinc phthalocyanine derivatives bearing three 4-(4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy) and...     

In situ preparation of hetero-polymers/clay nanocomposites by CUAAC click chemistry

A series of polymer/clay nanocomposites containing mechanistically two different polymers, poly(ethylene glycol) (PEG) and poly(epsilon caprolactone) (PCL), were prepared by simultaneous copper(I)-catalyzed alkyne-azide cycloaddition click reactions. Both clickable polymers, PEG-Alkyne and PCL-Alkyne, were simultaneously clicked on to azide-functional montmorillonite (MMT-N₃) nanoclay to get corresponding PEG-PCL/MMT nanocomposites. The chemical structures of the resulting nanocomposites were verified by following azide and silicone-oxygen bands using FT-IR and characteristic bands of PEG and PCL segments using ¹H-NMR spectroscopy. The combined XRD and TEM analysis confirmed that all PEG-PCL/MMT nanocomposites had partially exfoliated/intercalated morphologies. In addition, the increase of MMT-N₃ loading not only improved the onset and maximum degradation temperatures of the nanocomposites but also their char yields. Furthermore, the incorporation of MMT-N₃ in the polymer matrix did not significantly influence the crystallization behavior of both PEG and PCL segments.     

Toxicity of Zn-Fe Layered Double Hydroxide to Different Organisms in the Aquatic Environment

The application of layered double hydroxide (LDH) nanomaterials as catalysts has attracted great interest due to their unique structural features. It also triggered the need to study their fate and behavior in the aquatic environment. In the present study, Zn-Fe nanolayered double hydroxides (Zn-Fe LDHs) were synthesized using a co-precipitation method and characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), and nitrogen adsorption-desorption analyses. The toxicity of the home-made Zn-Fe LDHs catalyst was examined by employing a variety of aquatic organisms from different trophic levels, namely the marine photobacterium Vibrio fischeri, the freshwater microalga Pseudokirchneriella subcapitata, the freshwater crustacean Daphnia magna, and the duckweed Spirodela polyrhiza. From the experimental results, it was evident that the acute toxicity of the catalyst depended on the exposure time and type of selected test organism. Zn-Fe LDHs toxicity was also affected by its physical state in suspension, chemical composition, as well as interaction with the bioassay test medium.     

Synthesis and characterization of novel hybrid compounds containing coumarin and benzodiazepine rings based on dye

Coumarin derivatives, one of the organic fluorescent materials, are widely applied in many areas such as laser dyes, organic light emitting diodes (OLED), pharmaceuticals and bio/chemosensors, with the advantages of the large conjugated system and planar structure. In the coumarin analogs, which are polarity sensitive fluorophores, a shift to the red zone is observed in the case of π expansion at 3-positions and electron donor groups at 7-positions. The present article reports the synthesis of novel hybrid compounds ( CD1-CD8 ) containing coumarin and benzodiazepine rings using ethyl 3-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-3-oxopropanoate reagent and 1,2-diaminobenzene derivatives under optimized reaction conditions with PTSA catalyst. The structures of target compounds synthesized were characterized by FTIR, ¹HNMR, ¹³CNMR, HRMS and UV–Vis spectra. The effects of electron withdrawing and electron donor groups in the cyclocondensation reaction that takes place as regioselective were evaluated in detail. The substituent effects were investigated for n-π* and π-π* electronic transitions in UV–Vis Spectroscopy.     

Controlled protein adsorption on a silica microparticle

In the present study, controlled protein adsorption on a rigid silica microparticle is investigated numerically using classical Langmuir and two-state models under electrokinetic flow conditions. The instantaneous particle locations are simulated along a straight microchannel using an arbitrary Lagrangian−Eulerian framework in the finite element method for the electrophoretic motion of the charged particle. Within the scope of the parametric study, the strength of the external electric field (E), particle diameter (D_p), the zeta potential of the particle (ζ_p), and the location of the microparticle away from the channel wall (H) are systematically varied. The results are also compared to the data of pressure-driven flow having a parabolic flow profile at the inlet whose maximum magnitude is set to the particle's electrophoretic velocity magnitude. The validation studies reveal that the code developed for the particle motion in the present simulations agrees well with the experimental results. It is observed that protein adsorption can be controlled using electrokinetic phenomena. The plug-like flow profile in electrokinetics is beneficial for a microparticle at every spatial location in the microchannel, whereas it is not valid for the pressure-driven flow. The electric field strength and the zeta potential of the particle accelerate the protein adsorption. The wall shear stress and shear rate are good indicators to predict the adsorption process for electrokinetic flow.     

Thermal properties and kinetics of new-generation posterior bulk fill composite cured light-emitting diodes

In this study, the thermal behavior in terms of glass transition (T _g), degradation, and thermal stability of four commercial new-generation posterior bulk fill composites (Surefill SDR, Dentsply; Quixfill, Dentsply; Xtrabase, Voco; and Xtrafill, Voco) activated by light-emitting diodes (LEDs) was analyzed by thermogravimetric analysis (TG), differential scanning calorimetry (DSC), and dynamic mechanical analysis (DMA). The activation energies (E _a) for the decomposition of the dental resins were calculated based on the Kissinger and Doyle kinetic models from the peaks of the endothermic curves obtained when the specimens were heated at four different temperatures (5, 10, 15, and 20 °C min^?1) during DSC. The results show that the Xtrabase composite displayed the highest T _g (120 °C at a 5 °C min^?1 heating rate) and E _a (157.64 kJ mol^?1) values associated with thermal degradation from the main chain of the polymer.     

Preparation and characterization of activated carbon from pine cone by microwave-induced ZnCl2 activation and its effects on the adsorption of methylene blue

In this work, activated carbon prepared from pine cone (PCAC) with ZnCl₂ as an activation agent under microwave radiation was investigated. The activation step was performed at the microwave input power of 400 W and radiation time of 5 min. The properties of activated carbon were characterized by N₂ adsorption Brunauer–Emmett–Teller (BET), scanning electron microscopy and Fourier transform infrared spectroscopy. Results showed that the BET surface area, Langmuir surface area, and total pore volume of PCAC were 939, 1,486 m²/g and 0.172 cm³/g, respectively. Adsorption capacity was demonstrated by the iodine numbers. The adsorptive property of PCAC was tested using methylene blue dye. Equilibrium data was best fitted by the Langmuir isotherm model, showing a monolayer adsorption capacity of 60.97 mg/g. The pseudo-first- and pseudo-second-order kinetic models were examined to evaluate the kinetic data, and the rate constants were calculated. Adsorption of the dyes followed pseudo-first order kinetics. Thermodynamic parameters such as free energy, enthalpy and entropy of dye adsorption were obtained.     

The Effect of Enantiomer Elution Order on the Determination of Minor Enantiomeric Impurity in Ketoprofen and Enantiomeric Purity Evaluation of Commercially Available Dexketoprofen Formulations

In a recent study, opposite enantiomer elution order was observed for ketoprofen enantiomers on two amylose-phenylcarbamate-based chiral columns with the same chemical composition of the chiral selector but in one case with coated while in the other with an immobilized chiral selector. In the present study, the influence of this uncommon effect on method validation parameters for the determination of minor enantiomeric impurity in dexketoprofen was studied. The validated methods with two alternative elution orders for enantiomers were applied for the evaluation of enantiomeric impurity in six marketed dexketoprofen formulations from various vendors. In most of these formulations except one the content of enantiomeric impurity exceeded 0.1% (w/w).