Correction to "Eco-Friendly Methanolic Myrrh Extract Corrosion Inhibitor for Aluminum in 1 M HCl".

[This corrects the article DOI: 10.1021/acsomega.3c02009.].

Design and synthesis of 2-amino-4,6-diarylpyrimidine derivatives as potent α-glucosidase and α-amylase inhibitors: structure-activity relationship, in vitro, QSAR, molecular docking, MD simulations and drug-likeness studies.

In the present study, a series of 2-amino-4,6-diarylpyrimidine derivatives was designed, synthesized, characterized and evaluated for their in vitro α-glucosidase and α-amylase enzyme inhibition assays. The outcomes proved that this class of compounds exhibit considerable inhibitory activity against both enzymes. Among the target compounds, compounds 4p and 6p demonstrated the most potent dual inhibition with IC50 = 0.087 ± 0.01 µM for α-glucosidase; 0.189 ± 0.02 µM for α-amylase and IC50 = 0.095 ± 0.03 µM for α-glucosidase; 0.214 ± 0.03 µM for α-amylase, respectively as compared to the standard rutin (IC50 = 0.192 ± 0.02 µM for α-glucosidase and 0.224 ± 0.02 µM for α-amylase). Remarkably, the enzyme inhibition results indicate that test compounds have stronger inhibitory effect on the target enzymes than the positive control, with a significantly lower IC50 value. Moreover, these series of compounds were found to inhibit α-glucosidase activity in a reversible mixed-type manner with IC50 between 0.087 ± 0.01 µM to 1.952 ± 0.26 µM. Furthermore, molecular docking studies were performed to affirm the binding interactions of this scaffold to the active sites of α-glucosidase and α-amylase enzymes. The quantitative structure-activity relationship (QSAR) investigations showed a strong association between 1p-15p structures and their inhibitory actions (IC50) with a correlation value (R2) of 0.999916. Finally, molecular dynamic (MD) simulations were carried out to assess the dynamic behavior, stability of the protein-ligand complex, and binding affinity of the most active inhibitor 4p. The experimental and theoretical results therefore exposed a very good compatibility. Additionally, the drug-likeness assay revealed that some compounds exhibit a linear association with Lipinski's rule of five, indicating good drug-likeness and bioactivity scores for pharmacological targets.Communicated by Ramaswamy H. Sarma.

Eco-Friendly Methanolic Myrrh Extract Corrosion Inhibitor for Aluminum in 1 M HCl.

Aluminum corrosion was inhibited by myrrh extract when it was placed in a solution of 1 M HCl. Several procedures were used for these tests, including weight loss WL, potential dynamic polarization PL, and electrochemical impedance EIS in addition to theoretical calculations like density functional theory (DFT), Fukui functions, and Monte Carlo simulation. Fourier transform infrared spectroscopy was used to analyze the compositional surface of Al. Scanning electron microscopy was used to determine the shape of the Al surface. The inhibition rate of Al corrosion in HCl with varying myrrh extract contents at 25-45 °C was studied. An analysis of the PL curves indicates that myrrh extract is an inhibitor of mixed type. Upon increasing the concentration of myrrh, the inhibition efficiency increased. Moreover, rising temperatures decrease inhibition efficiency. It was discovered that the inhibition process follows the Langmuir isotherm, demonstrating that a monolayer has formed on the surface of aluminum. Theoretical and practical studies proved the validity of the conclusions.

Facile preparation of smart nanocomposite adhesive with superhydrophobicity and photoluminescence.

Smart photoluminescent nanocomposite adhesive was developed toward simple commercial manufacturing of long-persistent luminescent and hydrophobic applications. The prepared photoluminescent glue was able to continue emitting light after turning the illumination source off even after being in the dark for up to 1.5 h. Lanthanide-doped strontium aluminum oxide (LSAO) nanoparticles (NPs) dispersed in liquid silicone rubber (SR) was prepared to function as nanocomposite glue for various surfaces. Using nano-scaled particles, LSAO was uniformly disseminated without agglomeration in the silicone rubber matrix, enabling the produced nanocomposite glue to transmit light. For the applied glues, there is an excitation peak determined at 365 nm, and an emission peak determined at 518 nm. Depending on the LSAO ratio, the photoluminescence spectra displayed either afterglow phosphorescence or fluorescence. Photochromism was monitored from transparent to greenish under UV irradiation and greenish-yellow in darkness. The glued samples benefit from enhanced superhydrophobicity and scratch resistance due to LSAO NPs embedded in the silicone rubber matrix. The glueed LSAO@SR nanocomposite showed high durability and resistance to light damages. This research established the feasibility of mass-producing smart glue for various uses such as building safety directed signs and smart windows.

Synthesis, antioxidant effectiveness, and docking study of new benzothiazolyl-chromenone-based fluorophores.

As chromenones demonstrate significant push-pull fluorescence effects on the development and description of novel push-pull fluorescent compounds based on chromenone with exceptional molar extinction coefficients, benzothiazolyl-chromenone-based fluorophores were created by refluxing ethanol/piperidine over Knoevenagel's condensation. Many spectral methods, including 1 H-NMR, FT-IR analysis, and (C, H, N) analysis, were used to demonstrate the molecular structures of the synthesized benzothiazolyl-chromenone-based fluorophores. The synthesized fluorophore UV-vis absorption and emission spectra showed significant extinction coefficients, which were observed to be influenced by the substituted benzothiazole bridge in conjugation with the alkoxy donor moiety. It was discovered that the alkoxyl group-bonded substituents had an effect on the maximum absorbance wavelength. The benzothiazolyl-chromenone hybrid achieved antioxidant efficacy that compared favourably with commonly used medications [butylated hydroxytoluene (BHT) and vitamin C]. In contrast with the other hybrids, hybrid 3c, which has a hexyloxy tail, made good claims about its suitable action towards vitamins and reference medications. Additionally, the synthesized benzothiazolyl-chromenone-based hybrids showed marked coordination with antioxidant efficacy when docked studies of the hybrids towards the chosen 3NM8 protein were conducted.

Superficial and Inkjet Scalable Printed Sensors Integrated with Iron Oxide and Reduced Graphene Oxide for Sensitive Voltammetric Determination of Lurasidone.

The present work demonstrated the fabrication and the electrochemical characterization of novel printed electrochemical sensors integrated with an innovative nanosensing platform based on the synergic electrocatalytic effect of iron oxide nanoparticles (FeONPs) and reduced graphene oxide (rGO) for precise voltammetric determination of the antipsychotic drug lurasidone hydrochloride (LUH). The features of the electrode surface fabricated using the ordinary inkjet printer were characterized by scanning electron microscopy and electrochemical impedance spectroscopy. Among different ink formulations, integration of the printing ink with the ratio 15 mg FeONPs and 20 mg rGO was found to be the most appropriate for sensitive quantification of LUH in biological fluids and pharmaceutical formulations in the presence of LUH degradation products. Under the optimized experimental and electroanalytical parameters, the recorded square-wave voltammograms were correlated to LUH within the linear concentration ranging from 50 to 2150 ng mL-1 with detection limit and limit of quantification values of 15.64 and 47.39 ng mL-1, respectively. Based on the cyclic voltammograms recorded for LUH at different scan rates, the electrode reaction was assumed to be a diffusion reaction mechanism accompanied by the transfer of two electrons/protons through the oxidation of the five-membered ring nitrogen atom as assumed by the molecular orbital calculations carried out on the LUH molecule. The C max of LUH and the efficiency of the fabricated sensors enabled their clinical application for monitoring LUH in human biological fluids and pharmaceutical formulations in the presence of degradants for diverse quality control applications and green chemistry analysis.

Preparation of photoluminescent and anticorrosive epoxy paints immobilized with nanoscale graphene from sugarcane bagasse agricultural waste.

Sugarcane bagasse agricultural waste has been one of the most common solid pollutants worldwide. Thus, introducing a simple method to convert sugarcane bagasse into value-added materials has been highly significant. Herein, we develop a simple and green strategy to reprocess sugarcane bagasse as a starting material for the preparation of graphene oxide nanosheets toward the preparation of novel photoluminescent, hydrophobic, and anticorrosive epoxy nanocomposite coatings integrated with lanthanide-doped aluminate nanoparticles. Environmentally friendly graphene oxide (GO) nanostructures were provided by a single-step preparation procedure from sugarcane bagasse (SCB) agricultural waste using ferrocene-based oxidation under muffled conditions. The oxidized SCB nanostructures were applied as a drier, anticorrosion, and crosslinking agent for epoxy coatings. Different concentrations of pigment phosphor were applied onto the epoxy coating. The generated epoxy-graphene-aluminate (EGA) paints were then coated onto mild steel. The hydrophobic properties and hardness as well as resistance to scratch of the EGA paints were examined. The transparency and colorimetric screening of the EGA nanocomposite paints were determined by the absorption spectral analysis and CIE Lab parameters. The luminescent translucent paints demonstrated a bright green emission at 520 nm when excited at 372 nm. The anticorrosion properties of the painted steel submerged in NaCl(aq) were inspected by the electrochemical impedance spectral (EIS) method. The EGA paints with phosphor (11% w/w) exhibited the most distinct anti-corrosion properties and long-persistent luminescence. The produced paints displayed high durability and photostability.

Development of silica-coated rare-earth doped strontium aluminate toward superhydrophobic, anti-corrosive and long-persistent photoluminescent epoxy coating.

Long-persistent phosphorescent smart paints have the ability to continue glowing in the dark for a prolonged time period to function as energy-saving products. Herein, new epoxy/silica nanocomposite paints were prepared with different concentrations of lanthanide-doped aluminate nanoparticles (LAN; SrAl2 O4 :Eu2+ ,Dy3+ ). The LAN pigment was firstly coated with silicon dioxide (SiO2 ) utilizing the heterogeneous precipitation technique to provide LAN-encapsulated between SiO2 nanoparticles (LAN@SiO2 ). The epoxy/silica/lanthanide-doped aluminate nanoparticles (ESLAN) nanocomposite paints were coated on steel. The prepared ESLAN paints were studied by transmission electron microscopy (TEM), Fourier-transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), X-ray fluorescence (XRF) analysis, and energy-dispersive X-ray spectroscopy (EDS). The transparency and coloration properties of the nanocomposite coated films were explored by CIE Lab parameters and photoluminescence spectra. The ultraviolet-induced luminescence properties of the transparent coated films demonstrated greenish phosphorescence at 518 nm upon excitation at 368 nm. Both hardness and hydrophobic activities were investigated. The anticorrosion activity of the nanocomposite films coated onto mild steel substrates immersed in aqueous sodium chloride (NaCl(aq) ) (3.5%) was studied by electrochemical impedance spectroscopy (EIS). The silica-containing coatings were monitored to exhibit anticorrosion properties. Additionally, the nanocomposite films with LAN@SiO2 (25%) exhibited the optimized long-lasting luminescence properties in the dark for 90 min. The nanocomposite films showed highly reversible and durable long-lived phosphorescence.